Fold.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "\n",
    "STD_ANGLE  = 90\n",
    "STD_BOUND = 20\n",
    "\n",
    "# Define hyperparameters\n",
    "monte_carlo_temp = 10.0  # Increase if acceptance rate is too low\n",
    "num_relax_rounds = 10  # Increase for more thorough, but slower, optimization\n",
    "max_relax_iter = 200  # Increase for more thorough, but slower, optimization\n",
    "num_iterations = 10  # Increase for longer, but slower, runs\n",
    "\n",
    "#file paths \n",
    "temp_file_path = \"temp_file.pdb\"\n",
    "render_path = './renders/'\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "import os\n",
    "import shutil\n",
    "\n",
    "def remove_folder_contents(folder_path):\n",
    "   \n",
    "    if os.path.exists(folder_path):\n",
    "        for filename in os.listdir(folder_path):\n",
    "            file_path = os.path.join(folder_path, filename)\n",
    "\n",
    "            if os.path.isfile(file_path):\n",
    "                os.remove(file_path)\n",
    "            elif os.path.isdir(file_path):\n",
    "                shutil.rmtree(file_path)\n",
    "    else:\n",
    "        print(f\"The folder '{folder_path}' does not exist.\")\n",
    "\n",
    "remove_folder_contents(render_path)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Orginal Chain Sequence PQITLWQRPLVTIKIGGQLKEALLNTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF\n",
      "Shape Distance Matrix : (99, 99)\n",
      "98 98 171.86695329100388\n",
      "PyRosetta-4 2023 [Rosetta PyRosetta4.Release.python310.m1 2023.27+release.e3ce6ea9faf661ae8fa769511e2a9b8596417e58 2023-07-07T12:00:46] retrieved from: http://www.pyrosetta.org\n",
      "(C) Copyright Rosetta Commons Member Institutions. Created in JHU by Sergey Lyskov and PyRosetta Team.\n",
      "core.init: Checking for fconfig files in pwd and ./rosetta/flags\n",
      "core.init: Rosetta version: PyRosetta4.Release.python310.m1 r353 2023.27+release.e3ce6ea9faf e3ce6ea9faf661ae8fa769511e2a9b8596417e58 http://www.pyrosetta.org 2023-07-07T12:00:46\n",
      "core.init: command: PyRosetta -ex1 -ex2aro -database /Users/ahora/anaconda3/lib/python3.10/site-packages/pyrosetta-2023.27+release.e3ce6ea9faf-py3.10-macosx-11.0-arm64.egg/pyrosetta/database\n",
      "basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=-370177585 seed_offset=0 real_seed=-370177585\n",
      "basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-370177585 RG_type=mt19937\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/Users/ahora/anaconda3/lib/python3.10/site-packages/Bio/PDB/StructureBuilder.py:89: PDBConstructionWarning: WARNING: Chain A is discontinuous at line 1970.\n",
      "  warnings.warn(\n",
      "/Users/ahora/anaconda3/lib/python3.10/site-packages/Bio/PDB/StructureBuilder.py:89: PDBConstructionWarning: WARNING: Chain B is discontinuous at line 2038.\n",
      "  warnings.warn(\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set.  Created 985 residue types\n",
      "core.chemical.GlobalResidueTypeSet: Total time to initialize 0.541447 seconds.\n",
      "core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\n",
      "core.scoring.etable: Starting energy table calculation\n",
      "core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well\n",
      "core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)\n",
      "core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)\n",
      "core.scoring.etable: Finished calculating energy tables.\n",
      "basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\n",
      "basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\n",
      "basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\n",
      "basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\n",
      "basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\n",
      "basic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb\n",
      "basic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\n",
      "basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\n",
      "basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\n",
      "basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\n",
      "basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\n",
      "basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA\n",
      "basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\n",
      "core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\n",
      "basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\n",
      "basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat\n",
      "core.scoring.elec.util: Read 40 countpair representative atoms\n",
      "core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.\n",
      "core.pack.dunbrack.RotamerLibrary: shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated.\n",
      "core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /Users/ahora/anaconda3/lib/python3.10/site-packages/pyrosetta-2023.27+release.e3ce6ea9faf-py3.10-macosx-11.0-arm64.egg/pyrosetta/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin\n",
      "core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/Users/ahora/anaconda3/lib/python3.10/site-packages/pyrosetta-2023.27+release.e3ce6ea9faf-py3.10-macosx-11.0-arm64.egg/pyrosetta/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'.\n",
      "core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.089277 seconds to load from binary\n",
      "protocols.relax.RelaxScriptManager: Reading relax scripts list from database.\n",
      "protocols.relax.RelaxScriptManager: Looking for MonomerRelax2019.txt\n",
      "protocols.relax.RelaxScriptManager: ================== Reading script file: /Users/ahora/anaconda3/lib/python3.10/site-packages/pyrosetta-2023.27+release.e3ce6ea9faf-py3.10-macosx-11.0-arm64.egg/pyrosetta/database/sampling/relax_scripts/MonomerRelax2019.txt ==================\n",
      "protocols.relax.RelaxScriptManager: repeat %%nrepeats%%\n",
      "protocols.relax.RelaxScriptManager: coord_cst_weight 1.0\n",
      "protocols.relax.RelaxScriptManager: scale:fa_rep 0.040\n",
      "protocols.relax.RelaxScriptManager: repack\n",
      "protocols.relax.RelaxScriptManager: scale:fa_rep 0.051\n",
      "protocols.relax.RelaxScriptManager: min 0.01\n",
      "protocols.relax.RelaxScriptManager: coord_cst_weight 0.5\n",
      "protocols.relax.RelaxScriptManager: scale:fa_rep 0.265\n",
      "protocols.relax.RelaxScriptManager: repack\n",
      "protocols.relax.RelaxScriptManager: scale:fa_rep 0.280\n",
      "protocols.relax.RelaxScriptManager: min 0.01\n",
      "protocols.relax.RelaxScriptManager: coord_cst_weight 0.0\n",
      "protocols.relax.RelaxScriptManager: scale:fa_rep 0.559\n",
      "protocols.relax.RelaxScriptManager: repack\n",
      "protocols.relax.RelaxScriptManager: scale:fa_rep 0.581\n",
      "protocols.relax.RelaxScriptManager: min 0.01\n",
      "protocols.relax.RelaxScriptManager: coord_cst_weight 0.0\n",
      "protocols.relax.RelaxScriptManager: scale:fa_rep 1\n",
      "protocols.relax.RelaxScriptManager: repack\n",
      "protocols.relax.RelaxScriptManager: min 0.00001\n",
      "protocols.relax.RelaxScriptManager: accept_to_best\n",
      "protocols.relax.RelaxScriptManager: endrepeat\n"
     ]
    }
   ],
   "source": [
    "from Bio.PDB import PDBParser, PPBuilder\n",
    "from Bio.PDB import *\n",
    "import numpy as np\n",
    "import random\n",
    "from tqdm import tqdm\n",
    "\n",
    "from pyrosetta import *\n",
    "from pyrosetta.rosetta.core.scoring.constraints import AtomPairConstraint , DihedralConstraint\n",
    "\n",
    "from pyrosetta.rosetta.core.kinematics import MoveMap\n",
    "# from pyrosetta.rosetta.protocols.minimization_packing import MinMover\n",
    "\n",
    "from pyrosetta.rosetta.core.scoring import ScoreType\n",
    "from pyrosetta.rosetta.core.scoring.func import CircularHarmonicFunc ,HarmonicFunc\n",
    "\n",
    "from pyrosetta.rosetta.core.id import AtomID\n",
    "\n",
    "from pyrosetta.rosetta.protocols.relax import FastRelax\n",
    "from pyrosetta.rosetta.protocols.moves import MonteCarlo\n",
    "\n",
    "\n",
    "from pyrosetta.rosetta.protocols.moves import RepeatMover\n",
    "\n",
    "\n",
    "\n",
    "# Load structure\n",
    "parser = PDBParser()\n",
    "structure = parser.get_structure('Your_protein', 'test.pdb')\n",
    "\n",
    "# Get chain A\n",
    "chain_A = structure[0]['A']\n",
    "\n",
    "\n",
    "\n",
    "# Save chain A as a separate file\n",
    "io = PDBIO()\n",
    "io.set_structure(chain_A)\n",
    "io.save('base_line_chain_A.pdb')\n",
    "\n",
    "\n",
    "\n",
    "# Extract sequence\n",
    "ppb = PPBuilder()\n",
    "sequence = \"\"\n",
    "for pp in ppb.build_peptides(chain_A):\n",
    "    sequence += str(pp.get_sequence())\n",
    "\n",
    "print(\"Orginal Chain Sequence\" , sequence)\n",
    "\n",
    "\n",
    "# Filter out only alpha carbon atoms\n",
    "alpha_carbons = [atom for residue in chain_A for atom in residue if atom.get_id() == \"CA\"]\n",
    "\n",
    "# Define function to calculate distance\n",
    "def calculate_distance(atom1, atom2):\n",
    "    diff_vector  = atom2.coord - atom1.coord\n",
    "    return np.sqrt(np.sum(diff_vector * diff_vector))\n",
    "\n",
    "# Create distance matrix\n",
    "num_atoms = len(alpha_carbons)\n",
    "distance_matrix = np.zeros((num_atoms, num_atoms))\n",
    "\n",
    "for i in range(num_atoms):\n",
    "    for j in range(num_atoms):\n",
    "        distance_matrix[i, j] = calculate_distance(alpha_carbons[i], alpha_carbons[j])\n",
    "\n",
    "# Save distance matrix to a csv file\n",
    "np.savetxt(\"distance_matrix.csv\", distance_matrix, delimiter=\",\")\n",
    "\n",
    "\n",
    "print(\"Shape Distance Matrix :\" , distance_matrix.shape )\n",
    "\n",
    "\n",
    "\n",
    "ppb = PPBuilder()\n",
    "\n",
    "# Using the method you mentioned to get the list of phi and psi angles\n",
    "phi_psi_list = ppb.build_peptides(chain_A)[0].get_phi_psi_list()\n",
    "\n",
    "# Separate the phi and psi angles into two lists\n",
    "phi_angles = [angles[0] for angles in phi_psi_list if angles[0] is not None]\n",
    "psi_angles = [angles[1] for angles in phi_psi_list if angles[1] is not None]\n",
    "import math\n",
    "\n",
    "phi_angles_deg = [math.degrees(angle) for angle in phi_angles]\n",
    "psi_angles_deg = [math.degrees(angle) for angle in psi_angles]\n",
    "\n",
    "phi_stdevs = [random.uniform(0, STD_ANGLE) for _ in range(len(phi_angles_deg))]\n",
    "psi_stdevs = [random.uniform(0, STD_ANGLE) for _ in range(len(psi_angles_deg))]\n",
    "\n",
    "print(len(phi_angles_deg) , len(psi_angles_deg) , max(phi_angles_deg))\n",
    "\n",
    "\n",
    "# initialize PyRosetta\n",
    "init()\n",
    "\n",
    "# load your protein\n",
    "pose = pose_from_sequence(sequence)\n",
    "\n",
    "# Assume phi_angles and psi_angles are your precalculated lists of angles, which are of length N-1\n",
    "\n",
    "# Set the phi angles for residues 2 to N\n",
    "\n",
    "for i in range(2, pose.total_residue() + 1):\n",
    "    pose.set_phi(i, phi_angles_deg[i-2])\n",
    "\n",
    "# Set the psi angles for residues 1 to N-1\n",
    "for i in range(1, pose.total_residue()):\n",
    "    pose.set_psi(i, psi_angles_deg[i-1])\n",
    "\n",
    "for i in range(len(distance_matrix)):\n",
    "    for j in range(i+1, len(distance_matrix[i])):\n",
    "        # create an AtomPairConstraint for the alpha carbons of residues i+1 and j+1\n",
    "        atom1 = AtomID(2, i+1)  # 2 is the index for alpha carbon ('CA') in Rosetta atom numbering\n",
    "        atom2 = AtomID(2, j+1)\n",
    "        func = HarmonicFunc(distance_matrix[i][j], STD_BOUND)  # Harmonic potential with standard deviation of 1.0\n",
    "        constraint = AtomPairConstraint(atom1, atom2, func)\n",
    "\n",
    "        # add the constraint to the pose\n",
    "        pose.add_constraint(constraint)\n",
    "  \n",
    "      \n",
    "for i in range(1, pose.total_residue()):  # Rosetta uses 1-indexing\n",
    "    # Create AtomID for the atoms forming the psi angle: N(i)-CA(i)-C(i)-N(i+1)\n",
    "    atom1 = AtomID(1, i)   # N atom of current residue\n",
    "    atom2 = AtomID(2, i)   # CA atom of current residue\n",
    "    atom3 = AtomID(4, i)   # C atom of current residue\n",
    "    atom4 = AtomID(1, i+1) # N atom of next residue if it exists\n",
    "    \n",
    "    # Create a CircularHarmonicFunc for the psi angle\n",
    "    func = CircularHarmonicFunc(psi_angles_deg[i-1], psi_stdevs[i-1])\n",
    "\n",
    "    # Create a DihedralConstraint for the psi angle\n",
    "    constraint = DihedralConstraint(atom1, atom2, atom3, atom4, func)\n",
    "\n",
    "    # Add the constraints to the pose\n",
    "    pose.add_constraint(constraint)\n",
    "\n",
    "for i in range(2, pose.total_residue() + 1):  # Rosetta uses 1-indexing\n",
    "    # Create AtomID for the atoms forming the phi angle: C(i-1)-N(i)-CA(i)-C(i)\n",
    "    atom1 = AtomID(4, i-1)  # C atom of previous residue\n",
    "    atom2 = AtomID(1, i)  # N atom of current residue\n",
    "    atom3 = AtomID(2, i)  # CA atom of current residue\n",
    "    atom4 = AtomID(4, i)  # C atom of current residue\n",
    "    \n",
    "    # Create a CircularHarmonicFunc for the phi angle\n",
    "    func = CircularHarmonicFunc(phi_angles_deg[i-2], phi_stdevs[i-2])\n",
    "\n",
    "    # Create a DihedralConstraint for the phi angle\n",
    "    constraint = DihedralConstraint(atom1, atom2, atom3, atom4, func )\n",
    "\n",
    "    # Add the constraints to the pose\n",
    "    pose.add_constraint(constraint)\n",
    "    \n",
    "\n",
    "\n",
    "# exit()\n",
    "# Create a MoveMap that will allow backbone torsion angles to change\n",
    "movemap = MoveMap()\n",
    "movemap.set_bb(True)  # True means all backbone torsion angles are allowed to change\n",
    "movemap.set_chi(True)\n",
    "# Create a score function\n",
    "scorefxn = get_score_function()  # Use the default score function\n",
    "from pyrosetta.rosetta.core.scoring import fa_atr, fa_rep, fa_sol, fa_intra_rep, fa_elec, pro_close, hbond_sr_bb, hbond_lr_bb, hbond_bb_sc, hbond_sc, constraints\n",
    "\n",
    "# Increase the weights of the constraint terms\n",
    "scorefxn.set_weight(ScoreType.atom_pair_constraint, 10.0)\n",
    "scorefxn.set_weight(ScoreType.dihedral_constraint, 10.0)\n",
    "\n",
    "#consider other functions\n",
    "\n",
    "scorefxn.set_weight(fa_atr, 0.8)\n",
    "scorefxn.set_weight(fa_rep, 0.44)\n",
    "scorefxn.set_weight(fa_sol, 0.75)\n",
    "scorefxn.set_weight(fa_intra_rep, 0.004)\n",
    "scorefxn.set_weight(fa_elec, 0.70)\n",
    "scorefxn.set_weight(pro_close, 1.25)\n",
    "scorefxn.set_weight(hbond_sr_bb, 0.5)\n",
    "scorefxn.set_weight(hbond_lr_bb, 0.5)\n",
    "scorefxn.set_weight(hbond_bb_sc, 0.5)\n",
    "scorefxn.set_weight(hbond_sc, 1.0)\n",
    "\n",
    "\n",
    "\n",
    "# Create a Monte Carlo mover\n",
    "mc = MonteCarlo(pose, scorefxn, monte_carlo_temp)  # The last parameter is the temperature\n",
    "\n",
    "# Create a FastRelax mover\n",
    "fast_relax = FastRelax(scorefxn, num_relax_rounds)  # The second parameter is the number of rounds\n",
    "fast_relax.set_movemap(movemap)\n",
    "fast_relax.max_iter(max_relax_iter)\n",
    "# fast_relax.max_iter(100000000)  # Set maximum iterations\n",
    "fast_relax.set_scorefxn(scorefxn)\n",
    "\n",
    "\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#Save File Without Any Change\n",
    "pose.dump_pdb(os.path.join( render_path , f'before_anything.pdb'))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "  0%|          | 0/10 [00:00<?, ?it/s]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  90997.7  0  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  90997.7  0  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18726  0  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1902 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  13363.2  0  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  13746.2  0  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  350.745  7.50603  7.50603  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  350.745  7.50603  7.50603  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1858.48  7.50603  7.50603  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1364 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  654.714  7.50603  7.50603  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  692.694  7.50603  7.50603  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -11.1434  7.51263  7.51263  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.1434  7.51263  7.51263  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  28.0054  7.51263  7.51263  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1537 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.8226  7.51263  7.51263  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  25.8652  7.51263  7.51263  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  14.394  7.49389  7.49389  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  14.394  7.49389  7.49389  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  51.9795  7.49389  7.49389  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1473 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  51.8419  7.49389  7.49389  0.44\n",
      "protocols.relax.FastRelax: CMD: min  36.1612  7.52305  7.52305  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  36.1612  36.1612  7.52305  7.52305\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  36.1612  7.52305  7.52305  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  36.1612  7.52305  7.52305  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  36.1612  7.52305  7.52305  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -22.5071  7.52305  7.52305  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1789 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -38.7649  7.52305  7.52305  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -35.4027  7.52305  7.52305  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -71.4097  7.46553  7.46553  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -71.4097  7.46553  7.46553  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  33.6924  7.46553  7.46553  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1715 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  10.5053  7.46553  7.46553  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  15.5944  7.46553  7.46553  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -32.1677  7.49665  7.49665  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -32.1677  7.49665  7.49665  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.22168  7.49665  7.49665  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1547 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  5.29845  7.49665  7.49665  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  8.20332  7.49665  7.49665  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -5.44857  7.5191  7.5191  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -5.44857  7.5191  7.5191  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  31.1582  7.5191  7.5191  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1491 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  31.0599  7.5191  7.5191  0.44\n",
      "protocols.relax.FastRelax: CMD: min  23.0354  7.54055  7.54055  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  23.0354  23.0354  7.54055  7.54055\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  23.0354  7.54055  7.54055  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  23.0354  7.54055  7.54055  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  23.0354  7.54055  7.54055  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -35.9959  7.54055  7.54055  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1793 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -46.8247  7.54055  7.54055  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -44.9097  7.54055  7.54055  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -85.2018  7.44144  7.44144  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -85.2018  7.44144  7.44144  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  4.23242  7.44144  7.44144  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1736 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  0.458579  7.44144  7.44144  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.82075  7.44144  7.44144  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -34.3466  7.49167  7.49167  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -34.3466  7.49167  7.49167  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.98374  7.49167  7.49167  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1512 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  3.68436  7.49167  7.49167  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.69164  7.49167  7.49167  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -2.43764  7.53747  7.53747  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -2.43764  7.53747  7.53747  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  37.4777  7.53747  7.53747  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1427 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  37.4524  7.53747  7.53747  0.44\n",
      "protocols.relax.FastRelax: CMD: min  19.8564  7.53567  7.53567  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  19.8564  19.8564  7.53567  7.53567\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  19.8564  7.53567  7.53567  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  19.8564  7.53567  7.53567  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  19.8564  7.53567  7.53567  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -38.6241  7.53567  7.53567  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1567 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -48.9309  7.53567  7.53567  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.8388  7.53567  7.53567  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -83.5808  7.42192  7.42192  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -83.5808  7.42192  7.42192  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  7.49746  7.42192  7.42192  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1553 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.75858  7.42192  7.42192  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.55218  7.42192  7.42192  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -37.2903  7.50975  7.50975  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -37.2903  7.50975  7.50975  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.326309  7.50975  7.50975  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1439 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -0.719059  7.50975  7.50975  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.19416  7.50975  7.50975  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -7.59493  7.51362  7.51362  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -7.59493  7.51362  7.51362  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  31.2861  7.51362  7.51362  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1369 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  31.0121  7.51362  7.51362  0.44\n",
      "protocols.relax.FastRelax: CMD: min  15.558  7.53218  7.53218  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  15.558  15.558  7.53218  7.53218\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  15.558  7.53218  7.53218  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  15.558  7.53218  7.53218  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  15.558  7.53218  7.53218  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -42.636  7.53218  7.53218  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1743 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -50.7349  7.53218  7.53218  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.0113  7.53218  7.53218  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -85.4391  7.44301  7.44301  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -85.4391  7.44301  7.44301  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  13.7882  7.44301  7.44301  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  8.55716  7.44301  7.44301  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  14.5703  7.44301  7.44301  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -39.5078  7.48308  7.48308  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -39.5078  7.48308  7.48308  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.97404  7.48308  7.48308  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1422 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.41034  7.48308  7.48308  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.526892  7.48308  7.48308  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -11.2039  7.49595  7.49595  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.2039  7.49595  7.49595  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  25.3194  7.49595  7.49595  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1363 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  25.2594  7.49595  7.49595  0.44\n",
      "protocols.relax.FastRelax: CMD: min  15.3277  7.53276  7.53276  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  15.3277  15.3277  7.53276  7.53276\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  15.3277  7.53276  7.53276  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  15.3277  7.53276  7.53276  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  15.3277  7.53276  7.53276  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -43.7115  7.53276  7.53276  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1649 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5187  7.53276  7.53276  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.9178  7.53276  7.53276  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.0995  7.46007  7.46007  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.0995  7.46007  7.46007  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.23041  7.46007  7.46007  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1614 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  2.10833  7.46007  7.46007  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  8.18876  7.46007  7.46007  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.7875  7.512  7.512  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.7875  7.512  7.512  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.36773  7.512  7.512  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1394 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.70095  7.512  7.512  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.77139  7.512  7.512  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.4533  7.51691  7.51691  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.4533  7.51691  7.51691  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.0354  7.51691  7.51691  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1409 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.0109  7.51691  7.51691  0.44\n",
      "protocols.relax.FastRelax: CMD: min  14.7787  7.55295  7.55295  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  14.7787  14.7787  7.55295  7.55295\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  14.7787  7.55295  7.55295  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  14.7787  7.55295  7.55295  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  14.7787  7.55295  7.55295  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -43.7678  7.55295  7.55295  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1629 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -49.9303  7.55295  7.55295  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -48.0715  7.55295  7.55295  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -87.1815  7.48568  7.48568  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -87.1815  7.48568  7.48568  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  11.138  7.48568  7.48568  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1510 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  4.54548  7.48568  7.48568  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  10.7892  7.48568  7.48568  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.2124  7.50352  7.50352  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.2124  7.50352  7.50352  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.31977  7.50352  7.50352  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1364 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.46805  7.50352  7.50352  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.562936  7.50352  7.50352  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.9949  7.52769  7.52769  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.9949  7.52769  7.52769  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.8262  7.52769  7.52769  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1377 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  19.795  7.52769  7.52769  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0402  7.54168  7.54168  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  12.0402  12.0402  7.54168  7.54168\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0402  7.54168  7.54168  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0402  7.54168  7.54168  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0402  7.54168  7.54168  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.919  7.54168  7.54168  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1563 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5397  7.54168  7.54168  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3466  7.54168  7.54168  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.0233  7.45363  7.45363  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.0233  7.45363  7.45363  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.17135  7.45363  7.45363  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1547 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.31465  7.45363  7.45363  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.7232  7.45363  7.45363  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -45.0291  7.49476  7.49476  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -45.0291  7.49476  7.49476  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.36488  7.49476  7.49476  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1433 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.49244  7.49476  7.49476  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.64941  7.49476  7.49476  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.5579  7.51497  7.51497  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.5579  7.51497  7.51497  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.0186  7.51497  7.51497  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1340 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.7863  7.51497  7.51497  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0023  7.54183  7.54183  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  12.0023  12.0023  7.54183  7.54183\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0023  7.54183  7.54183  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0023  7.54183  7.54183  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0023  7.54183  7.54183  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9946  7.54183  7.54183  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1636 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6682  7.54183  7.54183  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4717  7.54183  7.54183  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.9075  7.46816  7.46816  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.9075  7.46816  7.46816  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.174781  7.46816  7.46816  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1617 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.99267  7.46816  7.46816  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.85124  7.46816  7.46816  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.9765  7.49032  7.49032  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.9765  7.49032  7.49032  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.74912  7.49032  7.49032  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1422 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.80238  7.49032  7.49032  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.80117  7.49032  7.49032  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.3085  7.51799  7.51799  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.3085  7.51799  7.51799  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.172  7.51799  7.51799  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1406 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  19.1236  7.51799  7.51799  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9936  7.54146  7.54146  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  11.9936  11.9936  7.54146  7.54146\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9936  7.54146  7.54146  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9936  7.54146  7.54146  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9936  7.54146  7.54146  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9796  7.54146  7.54146  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6183  7.54146  7.54146  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4256  7.54146  7.54146  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.4696  7.43906  7.43906  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.4696  7.43906  7.43906  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.752055  7.43906  7.43906  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1530 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.93222  7.43906  7.43906  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.47232  7.43906  7.43906  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.9551  7.49472  7.49472  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.9551  7.49472  7.49472  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.05426  7.49472  7.49472  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1393 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.10326  7.49472  7.49472  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.21048  7.49472  7.49472  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.8127  7.5162  7.5162  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.8127  7.5162  7.5162  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.6524  7.5162  7.5162  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1333 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  19.5892  7.5162  7.5162  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9979  7.54166  7.54166  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  11.9979  11.9936  7.54146  7.54146\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9979  7.54166  7.54166  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9979  7.54166  7.54166  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 10%|█         | 1/10 [01:21<12:09, 81.07s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  11.9936  7.54146  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9936  7.54146  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9796  7.54146  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6183  7.54146  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4256  7.54146  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.4696  7.43906  0.384968  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.4696  7.43906  0.384968  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.75205  7.43906  0.384968  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1530 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.93221  7.43906  0.384968  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.47231  7.43906  0.384968  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.9556  7.4947  0.210822  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.9556  7.4947  0.210822  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.05446  7.4947  0.210822  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1393 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.10353  7.4947  0.210822  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.21074  7.4947  0.210822  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.6686  7.51541  0.105822  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.6686  7.51541  0.105822  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.8494  7.51541  0.105822  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1334 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  19.7763  7.51541  0.105822  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9994  7.54173  0.00276842  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  11.9994  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9994  7.54173  0.00276842  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9994  7.54173  0.00276842  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9994  7.54173  0.00276842  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0034  7.54173  0.00276842  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6708  7.54173  0.00276842  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4735  7.54173  0.00276842  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.7533  7.46  0.403948  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.7533  7.46  0.403948  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.687097  7.46  0.403948  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1591 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.52971  7.46  0.403948  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.3107  7.46  0.403948  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.5518  7.48303  0.237913  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.5518  7.48303  0.237913  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.54606  7.48303  0.237913  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1391 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.66139  7.48303  0.237913  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.55494  7.48303  0.237913  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.2849  7.5206  0.108207  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.2849  7.5206  0.108207  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.2796  7.5206  0.108207  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1410 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.2948  7.5206  0.108207  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.6187  7.54596  0.061902  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  12.6187  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.6187  7.54596  0.061902  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.6187  7.54596  0.061902  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.6187  7.54596  0.061902  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -44.999  7.54596  0.061902  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -50.9664  7.54596  0.061902  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.705  7.54596  0.061902  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -83.7719  7.4838  0.380646  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -83.7719  7.4838  0.380646  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.01475  7.4838  0.380646  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1614 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.33609  7.4838  0.380646  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.12091  7.4838  0.380646  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.2834  7.49645  0.193525  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.2834  7.49645  0.193525  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.55157  7.49645  0.193525  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1367 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.63302  7.49645  0.193525  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.91749  7.49645  0.193525  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.8132  7.53851  0.121336  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.8132  7.53851  0.121336  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.8942  7.53851  0.121336  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1330 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.8694  7.53851  0.121336  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.503  7.54664  0.0720123  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  12.503  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.503  7.54664  0.0720123  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.503  7.54664  0.0720123  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.503  7.54664  0.0720123  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0842  7.54664  0.0720123  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1624 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2479  7.54664  0.0720123  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.9075  7.54664  0.0720123  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.8159  7.45085  0.409948  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.8159  7.45085  0.409948  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.797738  7.45085  0.409948  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1577 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.27126  7.45085  0.409948  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.50644  7.45085  0.409948  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.7942  7.51443  0.257781  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.7942  7.51443  0.257781  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.02629  7.51443  0.257781  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1372 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.14246  7.51443  0.257781  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.972935  7.51443  0.257781  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -11.6527  7.50456  0.161294  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.6527  7.50456  0.161294  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  26.5847  7.50456  0.161294  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1332 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  26.437  7.50456  0.161294  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.4978  7.54675  0.071815  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  12.4978  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.4978  7.54675  0.071815  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.4978  7.54675  0.071815  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.4978  7.54675  0.071815  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0631  7.54675  0.071815  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1624 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2151  7.54675  0.071815  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.8767  7.54675  0.071815  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.7357  7.45038  0.410283  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.7357  7.45038  0.410283  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.718388  7.45038  0.410283  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1647 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.4192  7.45038  0.410283  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.32317  7.45038  0.410283  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.7424  7.47617  0.232761  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.7424  7.47617  0.232761  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.78321  7.47617  0.232761  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1392 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.10824  7.47617  0.232761  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.24209  7.47617  0.232761  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.6004  7.52638  0.127948  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.6004  7.52638  0.127948  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.4329  7.52638  0.127948  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1391 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  19.3705  7.52638  0.127948  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.5072  7.54653  0.0720823  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  12.5072  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.5072  7.54653  0.0720823  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.5072  7.54653  0.0720823  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.5072  7.54653  0.0720823  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0385  7.54653  0.0720823  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.1938  7.54653  0.0720823  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.7791  7.54653  0.0720823  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.0261  7.46019  0.371207  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.0261  7.46019  0.371207  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.07398  7.46019  0.371207  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1592 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.50112  7.46019  0.371207  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.17107  7.46019  0.371207  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.5974  7.50325  0.208979  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.5974  7.50325  0.208979  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.74083  7.50325  0.208979  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1363 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.29389  7.50325  0.208979  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.41034  7.50325  0.208979  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.7955  7.52376  0.130265  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.7955  7.52376  0.130265  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.9031  7.52376  0.130265  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1330 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.7352  7.52376  0.130265  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.5045  7.54659  0.0721075  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  12.5045  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.5045  7.54659  0.0721075  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.5045  7.54659  0.0721075  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.5045  7.54659  0.0721075  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0688  7.54659  0.0721075  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.231  7.54659  0.0721075  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.8893  7.54659  0.0721075  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.5151  7.45895  0.407758  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.5151  7.45895  0.407758  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.349  7.45895  0.407758  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1712 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.12136  7.45895  0.407758  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.51618  7.45895  0.407758  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.7388  7.50604  0.229734  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.7388  7.50604  0.229734  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.62888  7.50604  0.229734  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1368 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.81437  7.50604  0.229734  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.751468  7.50604  0.229734  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.6466  7.5358  0.140785  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.6466  7.5358  0.140785  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.1075  7.5358  0.140785  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1331 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.9818  7.5358  0.140785  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.5022  7.54647  0.0721497  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  12.5022  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.5022  7.54647  0.0721497  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.5022  7.54647  0.0721497  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.5022  7.54647  0.0721497  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0759  7.54647  0.0721497  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1624 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2224  7.54647  0.0721497  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.8058  7.54647  0.0721497  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.198  7.46391  0.369607  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.198  7.46391  0.369607  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.08349  7.46391  0.369607  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1537 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.51369  7.46391  0.369607  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.0684356  7.46391  0.369607  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.1794  7.51613  0.214869  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.1794  7.51613  0.214869  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.91382  7.51613  0.214869  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1422 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.93508  7.51613  0.214869  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.17203  7.51613  0.214869  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.8412  7.53015  0.136533  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.8412  7.53015  0.136533  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.5667  7.53015  0.136533  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1268 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.34  7.53015  0.136533  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.5011  7.54663  0.0720401  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  12.5011  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.5011  7.54663  0.0720401  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.5011  7.54663  0.0720401  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.5011  7.54663  0.0720401  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0795  7.54663  0.0720401  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2358  7.54663  0.0720401  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.894  7.54663  0.0720401  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.9122  7.44911  0.41166  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.9122  7.44911  0.41166  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.742415  7.44911  0.41166  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1648 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.4784  7.44911  0.41166  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.30321  7.44911  0.41166  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.2195  7.48349  0.233467  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.2195  7.48349  0.233467  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.43982  7.48349  0.233467  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1384 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.75831  7.48349  0.233467  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.96361  7.48349  0.233467  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.0378  7.55217  0.154038  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.0378  7.55217  0.154038  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  27.0787  7.55217  0.154038  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1339 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  26.9681  7.55217  0.154038  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.5018  7.54663  0.0717936  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  12.5018  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.5018  7.54663  0.0717936  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.5018  7.54663  0.0717936  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.5018  7.54663  0.0717936  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0751  7.54663  0.0717936  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2204  7.54663  0.0717936  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.877  7.54663  0.0717936  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -85.7786  7.4867  0.364654  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -85.7786  7.4867  0.364654  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.67189  7.4867  0.364654  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1582 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -11.7944  7.4867  0.364654  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.78178  7.4867  0.364654  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.0903  7.49718  0.221023  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.0903  7.49718  0.221023  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.96457  7.49718  0.221023  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1359 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.17444  7.49718  0.221023  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.194479  7.49718  0.221023  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.6094  7.51759  0.131741  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.6094  7.51759  0.131741  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.2032  7.51759  0.131741  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1343 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.1957  7.51759  0.131741  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.5008  7.54671  0.071991  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  12.5008  11.9994  7.54173  0.00276842\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.5008  7.54671  0.071991  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.5008  7.54671  0.071991  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 20%|██        | 2/10 [02:36<10:22, 77.81s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  11.9994  7.54173  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9994  7.54173  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0034  7.54173  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6708  7.54173  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4735  7.54173  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.7533  7.46  0.403481  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.7533  7.46  0.403481  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.687097  7.46  0.403481  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1591 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.52971  7.46  0.403481  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.3107  7.46  0.403481  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.5518  7.48303  0.237729  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.5518  7.48303  0.237729  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.54606  7.48303  0.237729  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1391 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.66139  7.48303  0.237729  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.55494  7.48303  0.237729  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.2849  7.5206  0.107847  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.2849  7.5206  0.107847  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.2796  7.5206  0.107847  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1410 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  19.1678  7.5206  0.107847  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9894  7.5415  0.00287998  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  11.9894  11.9894  7.5415  0.00287998\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9894  7.5415  0.00287998  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9894  7.5415  0.00287998  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9894  7.5415  0.00287998  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9854  7.5415  0.00287998  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6326  7.5415  0.00287998  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4397  7.5415  0.00287998  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.8568  7.44853  0.388624  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.8568  7.44853  0.388624  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.476902  7.44853  0.388624  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1530 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.20502  7.44853  0.388624  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.608186  7.44853  0.388624  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.3711  7.50488  0.208495  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.3711  7.50488  0.208495  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.21791  7.50488  0.208495  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1378 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.32671  7.50488  0.208495  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.4167  7.50488  0.208495  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.5595  7.51816  0.11892  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.5595  7.51816  0.11892  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.7426  7.51816  0.11892  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1347 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.5755  7.51816  0.11892  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9956  7.54174  0.00145459  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  11.9956  11.9894  7.5415  0.00287998\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9956  7.54174  0.00145459  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9956  7.54174  0.00145459  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9956  7.54174  0.00145459  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9969  7.54174  0.00145459  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6648  7.54174  0.00145459  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3932  7.54174  0.00145459  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.8973  7.45278  0.384134  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.8973  7.45278  0.384134  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.69967  7.45278  0.384134  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1527 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.21088  7.45278  0.384134  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.42737  7.45278  0.384134  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.4614  7.49212  0.205444  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.4614  7.49212  0.205444  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.6075  7.49212  0.205444  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1385 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.14423  7.49212  0.205444  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.15043  7.49212  0.205444  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.1221  7.52247  0.0964354  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.1221  7.52247  0.0964354  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.7002  7.52247  0.0964354  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1424 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.627  7.52247  0.0964354  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9886  7.54148  0.0032286  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  11.9886  11.9886  7.54148  0.0032286\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9886  7.54148  0.0032286  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9886  7.54148  0.0032286  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9886  7.54148  0.0032286  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9761  7.54148  0.0032286  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6243  7.54148  0.0032286  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3544  7.54148  0.0032286  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.3603  7.46848  0.38703  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.3603  7.46848  0.38703  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.49648  7.46848  0.38703  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1607 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.56373  7.46848  0.38703  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.38013  7.46848  0.38703  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.3362  7.49431  0.226905  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.3362  7.49431  0.226905  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.6486  7.49431  0.226905  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1446 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.74155  7.49431  0.226905  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.80676  7.49431  0.226905  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.5402  7.52159  0.127704  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.5402  7.52159  0.127704  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.7246  7.52159  0.127704  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1345 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.5883  7.52159  0.127704  0.44\n",
      "protocols.relax.FastRelax: CMD: min  13.0009  7.54672  0.08318  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  13.0009  11.9886  7.54148  0.0032286\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  13.0009  7.54672  0.08318  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  13.0009  7.54672  0.08318  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  13.0009  7.54672  0.08318  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -44.6435  7.54672  0.08318  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1635 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.3136  7.54672  0.08318  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.0522  7.54672  0.08318  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.5131  7.48108  0.396116  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.5131  7.48108  0.396116  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.52744  7.48108  0.396116  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1583 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.02421  7.48108  0.396116  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  4.89687  7.48108  0.396116  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.3269  7.49701  0.227219  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.3269  7.49701  0.227219  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.70491  7.49701  0.227219  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1396 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.77124  7.49701  0.227219  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.82493  7.49701  0.227219  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.3789  7.51983  0.147789  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.3789  7.51983  0.147789  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.3172  7.51983  0.147789  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1275 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.2137  7.51983  0.147789  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.2962  7.54405  0.0989144  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  11.2962  11.2962  7.54405  0.0989144\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.2962  7.54405  0.0989144  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.2962  7.54405  0.0989144  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.2962  7.54405  0.0989144  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.67  7.54405  0.0989144  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6987  7.54405  0.0989144  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4654  7.54405  0.0989144  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -85.465  7.47584  0.384732  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -85.465  7.47584  0.384732  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  16.9935  7.47584  0.384732  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1568 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  4.17942  7.47584  0.384732  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  10.3339  7.47584  0.384732  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.8841  7.50132  0.220167  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.8841  7.50132  0.220167  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.8938  7.50132  0.220167  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1419 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.01827  7.50132  0.220167  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.97225  7.50132  0.220167  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.3677  7.52796  0.111669  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.3677  7.52796  0.111669  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.4053  7.52796  0.111669  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1408 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.3008  7.52796  0.111669  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.3668  7.54534  0.0846197  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  11.3668  11.2962  7.54405  0.0989144\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.3668  7.54534  0.0846197  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.3668  7.54534  0.0846197  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.3668  7.54534  0.0846197  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.7148  7.54534  0.0846197  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1641 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.8443  7.54534  0.0846197  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.5934  7.54534  0.0846197  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.257  7.48581  0.384875  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.257  7.48581  0.384875  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.0745  7.48581  0.384875  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1528 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.26964  7.48581  0.384875  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.507175  7.48581  0.384875  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.4915  7.49329  0.209958  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.4915  7.49329  0.209958  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.18692  7.49329  0.209958  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1411 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.46067  7.49329  0.209958  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.47828  7.49329  0.209958  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.3745  7.53072  0.143128  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.3745  7.53072  0.143128  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.4152  7.53072  0.143128  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1344 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.3762  7.53072  0.143128  0.44\n",
      "protocols.relax.FastRelax: CMD: min  10.6633  7.54593  0.0867568  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  10.6633  10.6633  7.54593  0.0867568\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  10.6633  7.54593  0.0867568  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  10.6633  7.54593  0.0867568  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.6633  7.54593  0.0867568  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0968  7.54593  0.0867568  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1570 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6423  7.54593  0.0867568  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3884  7.54593  0.0867568  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -91.8177  7.47228  0.38483  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -91.8177  7.47228  0.38483  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.0932554  7.47228  0.38483  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1597 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.63347  7.47228  0.38483  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.797701  7.47228  0.38483  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.6139  7.51991  0.223015  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.6139  7.51991  0.223015  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.83162  7.51991  0.223015  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1378 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.91231  7.51991  0.223015  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.87431  7.51991  0.223015  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.8377  7.52863  0.129661  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.8377  7.52863  0.129661  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.1489  7.52863  0.129661  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1366 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.0878  7.52863  0.129661  0.44\n",
      "protocols.relax.FastRelax: CMD: min  10.6626  7.54582  0.0869467  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  10.6626  10.6626  7.54582  0.0869467\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  10.6626  7.54582  0.0869467  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  10.6626  7.54582  0.0869467  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.6626  7.54582  0.0869467  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0819  7.54582  0.0869467  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1553 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6206  7.54582  0.0869467  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.368  7.54582  0.0869467  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -91.6845  7.47251  0.38774  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -91.6845  7.47251  0.38774  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.40582  7.47251  0.38774  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1610 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.60945  7.47251  0.38774  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.88307  7.47251  0.38774  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.2024  7.51566  0.228478  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.2024  7.51566  0.228478  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.68494  7.51566  0.228478  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1375 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.9281  7.51566  0.228478  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.85518  7.51566  0.228478  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.1174  7.539  0.141715  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.1174  7.539  0.141715  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.8672  7.539  0.141715  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1339 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.7154  7.539  0.141715  0.44\n",
      "protocols.relax.FastRelax: CMD: min  10.6565  7.54444  0.0894051  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  10.6565  10.6565  7.54444  0.0894051\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  10.6565  7.54444  0.0894051  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  10.6565  7.54444  0.0894051  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.6565  7.54444  0.0894051  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9739  7.54444  0.0894051  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1641 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6229  7.54444  0.0894051  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3763  7.54444  0.0894051  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -82.3194  7.41297  0.398707  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -82.3194  7.41297  0.398707  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.11602  7.41297  0.398707  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1621 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -9.8841  7.41297  0.398707  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.94272  7.41297  0.398707  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.3835  7.49679  0.210817  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.3835  7.49679  0.210817  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.72228  7.49679  0.210817  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1421 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.8214  7.49679  0.210817  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.0115  7.49679  0.210817  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.0588  7.53099  0.114424  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.0588  7.53099  0.114424  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.0468  7.53099  0.114424  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1340 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.8602  7.53099  0.114424  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.815  7.54352  0.0537846  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  11.815  10.6565  7.54444  0.0894051\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.815  7.54352  0.0537846  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.815  7.54352  0.0537846  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 30%|███       | 3/10 [03:55<09:08, 78.37s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  10.6565  7.54444  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.6565  7.54444  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9739  7.54444  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1641 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6229  7.54444  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3763  7.54444  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -82.3194  7.41297  0.394369  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -82.3194  7.41297  0.394369  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.11602  7.41297  0.394369  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1621 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -9.92924  7.41297  0.394369  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.00686  7.41297  0.394369  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -40.8455  7.48265  0.207804  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -40.8455  7.48265  0.207804  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.70533  7.48265  0.207804  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1415 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.26523  7.48265  0.207804  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.38566  7.48265  0.207804  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -8.05226  7.53721  0.108832  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -8.05226  7.53721  0.108832  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  32.0843  7.53721  0.108832  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1349 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  31.9511  7.53721  0.108832  0.44\n",
      "protocols.relax.FastRelax: CMD: min  10.712  7.5441  0.00565403  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  10.712  10.712  7.5441  0.00565403\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  10.712  7.5441  0.00565403  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  10.712  7.5441  0.00565403  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.712  7.5441  0.00565403  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9418  7.5441  0.00565403  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1622 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6065  7.5441  0.00565403  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3594  7.5441  0.00565403  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -84.4727  7.4839  0.368501  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -84.4727  7.4839  0.368501  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.75323  7.4839  0.368501  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1610 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.88208  7.4839  0.368501  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.6574  7.4839  0.368501  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.1775  7.51566  0.188035  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.1775  7.51566  0.188035  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.98338  7.51566  0.188035  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1389 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.13411  7.51566  0.188035  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.23764  7.51566  0.188035  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.1332  7.52928  0.0951356  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.1332  7.52928  0.0951356  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.2585  7.52928  0.0951356  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1405 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.1303  7.52928  0.0951356  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.4299  7.54453  0.0270549  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  11.4299  10.712  7.5441  0.00565403\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.4299  7.54453  0.0270549  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.4299  7.54453  0.0270549  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.4299  7.54453  0.0270549  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.6772  7.54453  0.0270549  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1639 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.7062  7.54453  0.0270549  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4609  7.54453  0.0270549  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.9999  7.46495  0.375331  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.9999  7.46495  0.375331  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.28871  7.46495  0.375331  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1592 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.87389  7.46495  0.375331  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.32341  7.46495  0.375331  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.4554  7.47997  0.216712  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.4554  7.47997  0.216712  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.10172  7.47997  0.216712  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1406 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.31367  7.47997  0.216712  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.39306  7.47997  0.216712  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -11.6334  7.52656  0.138516  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.6334  7.52656  0.138516  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  28.9654  7.52656  0.138516  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1337 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  28.7997  7.52656  0.138516  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.4057  7.54385  0.0272223  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  11.4057  10.712  7.5441  0.00565403\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.4057  7.54385  0.0272223  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.4057  7.54385  0.0272223  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.4057  7.54385  0.0272223  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.5731  7.54385  0.0272223  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1639 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.7508  7.54385  0.0272223  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.512  7.54385  0.0272223  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.0719  7.48959  0.392825  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.0719  7.48959  0.392825  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.70317  7.48959  0.392825  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1524 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.48542  7.48959  0.392825  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.367814  7.48959  0.392825  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.1517  7.51233  0.211956  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.1517  7.51233  0.211956  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.66236  7.51233  0.211956  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1414 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.89772  7.51233  0.211956  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.220622  7.51233  0.211956  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.2928  7.52089  0.109904  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.2928  7.52089  0.109904  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.662  7.52089  0.109904  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1404 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.5692  7.52089  0.109904  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.4193  7.54463  0.0266275  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  11.4193  10.712  7.5441  0.00565403\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.4193  7.54463  0.0266275  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.4193  7.54463  0.0266275  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.4193  7.54463  0.0266275  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.6536  7.54463  0.0266275  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1639 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.7024  7.54463  0.0266275  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4614  7.54463  0.0266275  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.664  7.48411  0.39671  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.664  7.48411  0.39671  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.74926  7.48411  0.39671  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1558 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.08651  7.48411  0.39671  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.794513  7.48411  0.39671  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.3626  7.49906  0.212402  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.3626  7.49906  0.212402  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.71805  7.49906  0.212402  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1414 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.99793  7.49906  0.212402  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.99063  7.49906  0.212402  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.6626  7.51912  0.111078  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.6626  7.51912  0.111078  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.2489  7.51912  0.111078  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1401 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.1393  7.51912  0.111078  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.4153  7.54423  0.0263993  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  11.4153  10.712  7.5441  0.00565403\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.4153  7.54423  0.0263993  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.4153  7.54423  0.0263993  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.4153  7.54423  0.0263993  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.6464  7.54423  0.0263993  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1621 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.826  7.54423  0.0263993  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.583  7.54423  0.0263993  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.9583  7.46437  0.354301  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.9583  7.46437  0.354301  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.72571  7.46437  0.354301  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1429 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -13.6719  7.46437  0.354301  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.635  7.46437  0.354301  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.5137  7.51077  0.18827  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.5137  7.51077  0.18827  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.29735  7.51077  0.18827  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1374 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.44335  7.51077  0.18827  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.48442  7.51077  0.18827  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.5979  7.51301  0.114547  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.5979  7.51301  0.114547  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.9293  7.51301  0.114547  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1262 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.7498  7.51301  0.114547  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.3533  7.54434  0.031518  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  11.3533  10.712  7.5441  0.00565403\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.3533  7.54434  0.031518  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.3533  7.54434  0.031518  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.3533  7.54434  0.031518  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.5992  7.54434  0.031518  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.501  7.54434  0.031518  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.2704  7.54434  0.031518  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.569  7.47476  0.381189  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.569  7.47476  0.381189  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.0995881  7.47476  0.381189  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1449 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.81906  7.47476  0.381189  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.19236  7.47476  0.381189  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.1679  7.48974  0.220994  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.1679  7.48974  0.220994  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.01785  7.48974  0.220994  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1445 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -0.867207  7.48974  0.220994  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.23693  7.48974  0.220994  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.4039  7.51922  0.128464  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.4039  7.51922  0.128464  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.7749  7.51922  0.128464  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1331 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.7432  7.51922  0.128464  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0975  7.5371  0.0728365  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  12.0975  10.712  7.5441  0.00565403\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0975  7.5371  0.0728365  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0975  7.5371  0.0728365  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0975  7.5371  0.0728365  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.5411  7.5371  0.0728365  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2658  7.5371  0.0728365  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.7132  7.5371  0.0728365  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.6796  7.47891  0.393773  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.6796  7.47891  0.393773  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.29461  7.47891  0.393773  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1599 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.32416  7.47891  0.393773  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.58911  7.47891  0.393773  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.3364  7.5072  0.214415  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.3364  7.5072  0.214415  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.45623  7.5072  0.214415  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1407 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.76223  7.5072  0.214415  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.734  7.5072  0.214415  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.4286  7.5132  0.116226  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.4286  7.5132  0.116226  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.2052  7.5132  0.116226  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1345 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.116  7.5132  0.116226  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.4121  7.54453  0.0264586  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  11.4121  10.712  7.5441  0.00565403\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.4121  7.54453  0.0264586  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.4121  7.54453  0.0264586  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.4121  7.54453  0.0264586  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.6394  7.54453  0.0264586  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1641 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.8052  7.54453  0.0264586  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.5611  7.54453  0.0264586  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.3384  7.47231  0.369999  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.3384  7.47231  0.369999  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.26351  7.47231  0.369999  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1516 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.99708  7.47231  0.369999  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.4138  7.47231  0.369999  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.8835  7.49772  0.211604  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.8835  7.49772  0.211604  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.36698  7.49772  0.211604  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1392 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.44612  7.49772  0.211604  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.347658  7.49772  0.211604  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.967  7.52905  0.0967541  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.967  7.52905  0.0967541  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  17.7924  7.52905  0.0967541  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1402 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  17.7068  7.52905  0.0967541  0.44\n",
      "protocols.relax.FastRelax: CMD: min  10.7028  7.5449  0.0102248  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  10.7028  10.7028  7.5449  0.0102248\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  10.7028  7.5449  0.0102248  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  10.7028  7.5449  0.0102248  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.7028  7.5449  0.0102248  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9829  7.5449  0.0102248  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1549 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6043  7.5449  0.0102248  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3627  7.5449  0.0102248  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -92.208  7.4644  0.397543  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -92.208  7.4644  0.397543  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.93129  7.4644  0.397543  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1561 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.92756  7.4644  0.397543  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.11734  7.4644  0.397543  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.1121  7.48639  0.224448  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.1121  7.48639  0.224448  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.09927  7.48639  0.224448  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1415 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.19201  7.48639  0.224448  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.13199  7.48639  0.224448  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.1494  7.53594  0.14428  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.1494  7.53594  0.14428  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  26.1115  7.53594  0.14428  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1356 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  25.9677  7.53594  0.14428  0.44\n",
      "protocols.relax.FastRelax: CMD: min  10.6576  7.54433  0.00111221  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  10.6576  10.6576  7.54433  0.00111221\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  10.6576  7.54433  0.00111221  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  10.6576  7.54433  0.00111221  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 40%|████      | 4/10 [05:13<07:48, 78.11s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  10.6576  7.54433  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.6576  7.54433  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9687  7.54433  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1641 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.626  7.54433  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3793  7.54433  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -85.5305  7.46509  0.364731  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -85.5305  7.46509  0.364731  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  9.21426  7.46509  0.364731  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1575 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -0.920456  7.46509  0.364731  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  4.91218  7.46509  0.364731  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.352  7.51523  0.211071  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.352  7.51523  0.211071  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.26349  7.51523  0.211071  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1397 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.59225  7.51523  0.211071  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.70817  7.51523  0.211071  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.9424  7.53273  0.0950171  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.9424  7.53273  0.0950171  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  17.7815  7.53273  0.0950171  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1404 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  17.6892  7.53273  0.0950171  0.44\n",
      "protocols.relax.FastRelax: CMD: min  10.6679  7.54621  0.0198413  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  10.6679  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  10.6679  7.54621  0.0198413  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  10.6679  7.54621  0.0198413  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.6679  7.54621  0.0198413  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.1013  7.54621  0.0198413  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1553 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6439  7.54621  0.0198413  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3885  7.54621  0.0198413  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -92.6092  7.46227  0.40333  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -92.6092  7.46227  0.40333  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.35239  7.46227  0.40333  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1561 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.33429  7.46227  0.40333  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.75559  7.46227  0.40333  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.9947  7.49805  0.22099  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.9947  7.49805  0.22099  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.52973  7.49805  0.22099  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1411 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.80642  7.49805  0.22099  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.83021  7.49805  0.22099  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.9585  7.5169  0.136928  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.9585  7.5169  0.136928  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.4279  7.5169  0.136928  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1400 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  19.3461  7.5169  0.136928  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0692  7.53869  0.0707166  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  12.0692  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0692  7.53869  0.0707166  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0692  7.53869  0.0707166  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0692  7.53869  0.0707166  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.4143  7.53869  0.0707166  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.7789  7.53869  0.0707166  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.5874  7.53869  0.0707166  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.7314  7.45532  0.401153  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.7314  7.45532  0.401153  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.21005  7.45532  0.401153  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1515 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -10.5812  7.45532  0.401153  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.26903  7.45532  0.401153  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -45.064  7.4908  0.225041  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -45.064  7.4908  0.225041  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.21237  7.4908  0.225041  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1373 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.38909  7.4908  0.225041  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.51849  7.4908  0.225041  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.5488  7.50154  0.140302  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.5488  7.50154  0.140302  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.1758  7.50154  0.140302  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1345 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.9509  7.50154  0.140302  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.049  7.53796  0.070243  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  12.049  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.049  7.53796  0.070243  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.049  7.53796  0.070243  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.049  7.53796  0.070243  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.4828  7.53796  0.070243  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.3998  7.53796  0.070243  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.8953  7.53796  0.070243  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.6846  7.47519  0.394391  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.6846  7.47519  0.394391  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.8232  7.47519  0.394391  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1583 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.95687  7.47519  0.394391  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.29699  7.47519  0.394391  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.5884  7.51145  0.244162  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.5884  7.51145  0.244162  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.08742  7.51145  0.244162  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1376 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.15798  7.51145  0.244162  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.0249  7.51145  0.244162  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -11.7055  7.5322  0.118646  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.7055  7.5322  0.118646  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  26.3107  7.5322  0.118646  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1340 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  27.4853  7.5322  0.118646  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0495  7.53846  0.0707464  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  12.0495  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0495  7.53846  0.0707464  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0495  7.53846  0.0707464  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0495  7.53846  0.0707464  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.4546  7.53846  0.0707464  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1639 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.8188  7.53846  0.0707464  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.6325  7.53846  0.0707464  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -84.5699  7.47996  0.381871  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -84.5699  7.47996  0.381871  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.95312  7.47996  0.381871  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1535 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -12.5462  7.47996  0.381871  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.64846  7.47996  0.381871  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.195  7.50603  0.21022  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.195  7.50603  0.21022  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.00491  7.50603  0.21022  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1371 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.08441  7.50603  0.21022  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.25117  7.50603  0.21022  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.976  7.53563  0.131849  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.976  7.53563  0.131849  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.6378  7.53563  0.131849  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1344 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.5942  7.53563  0.131849  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9659  7.54187  0.0875283  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  11.9659  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9659  7.54187  0.0875283  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9659  7.54187  0.0875283  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9659  7.54187  0.0875283  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9456  7.54187  0.0875283  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1568 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5769  7.54187  0.0875283  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3218  7.54187  0.0875283  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.3751  7.45761  0.406198  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.3751  7.45761  0.406198  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.0601  7.45761  0.406198  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1545 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.73846  7.45761  0.406198  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.73139  7.45761  0.406198  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.0442  7.49077  0.222055  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.0442  7.49077  0.222055  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.31157  7.49077  0.222055  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1467 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.54698  7.49077  0.222055  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.68957  7.49077  0.222055  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.6037  7.50078  0.157433  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.6037  7.50078  0.157433  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.9609  7.50078  0.157433  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1356 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.8427  7.50078  0.157433  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9647  7.54163  0.0868149  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  11.9647  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9647  7.54163  0.0868149  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9647  7.54163  0.0868149  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9647  7.54163  0.0868149  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9901  7.54163  0.0868149  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1569 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5935  7.54163  0.0868149  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3377  7.54163  0.0868149  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.2951  7.45629  0.408124  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.2951  7.45629  0.408124  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.18995  7.45629  0.408124  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1538 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -0.680225  7.45629  0.408124  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.05887  7.45629  0.408124  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.0323  7.49896  0.219045  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.0323  7.49896  0.219045  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.37313  7.49896  0.219045  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1391 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.70663  7.49896  0.219045  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.698822  7.49896  0.219045  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.1104  7.52259  0.140309  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.1104  7.52259  0.140309  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.8557  7.52259  0.140309  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1419 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.7802  7.52259  0.140309  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9569  7.54154  0.0867774  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  11.9569  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9569  7.54154  0.0867774  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9569  7.54154  0.0867774  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9569  7.54154  0.0867774  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9854  7.54154  0.0867774  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1571 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5567  7.54154  0.0867774  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3041  7.54154  0.0867774  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.3642  7.4611  0.407925  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.3642  7.4611  0.407925  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.19074  7.4611  0.407925  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1621 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.04927  7.4611  0.407925  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.92985  7.4611  0.407925  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.5051  7.51053  0.273865  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.5051  7.51053  0.273865  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.45131  7.51053  0.273865  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1401 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.73346  7.51053  0.273865  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.68729  7.51053  0.273865  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.266  7.51711  0.147799  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.266  7.51711  0.147799  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.434  7.51711  0.147799  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1349 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.3529  7.51711  0.147799  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.9954  7.54614  0.0336131  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  12.9954  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.9954  7.54614  0.0336131  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.9954  7.54614  0.0336131  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.9954  7.54614  0.0336131  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -44.6879  7.54614  0.0336131  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1634 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.3538  7.54614  0.0336131  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.0904  7.54614  0.0336131  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.4289  7.48134  0.392921  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.4289  7.48134  0.392921  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.67011  7.48134  0.392921  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1585 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.28754  7.48134  0.392921  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.56417  7.48134  0.392921  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.965  7.48569  0.219501  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.965  7.48569  0.219501  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.57982  7.48569  0.219501  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1391 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.79945  7.48569  0.219501  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.73661  7.48569  0.219501  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.8774  7.52561  0.134431  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.8774  7.52561  0.134431  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  24.2239  7.52561  0.134431  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1343 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  24.0562  7.52561  0.134431  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.3668  7.545  0.0276711  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  11.3668  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.3668  7.545  0.0276711  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.3668  7.545  0.0276711  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.3668  7.545  0.0276711  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.7238  7.545  0.0276711  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1641 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.7028  7.545  0.0276711  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4619  7.545  0.0276711  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.9672  7.44807  0.378984  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.9672  7.44807  0.378984  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.90794  7.44807  0.378984  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1493 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.94818  7.44807  0.378984  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.36694  7.44807  0.378984  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.8217  7.51155  0.1986  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.8217  7.51155  0.1986  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.19334  7.51155  0.1986  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1382 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.05039  7.51155  0.1986  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.99876  7.51155  0.1986  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.5402  7.52631  0.118687  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.5402  7.52631  0.118687  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.1825  7.52631  0.118687  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1352 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.1217  7.52631  0.118687  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0599  7.53783  0.069845  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  12.0599  10.6679  7.54621  0.0198413\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0599  7.53783  0.069845  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0599  7.53783  0.069845  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 50%|█████     | 5/10 [06:29<06:27, 77.54s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  10.6679  7.54621  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  10.6679  7.54621  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.1013  7.54621  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1553 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6439  7.54621  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3885  7.54621  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -92.6092  7.46227  0.402938  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -92.6092  7.46227  0.402938  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.35239  7.46227  0.402938  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1561 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.33429  7.46227  0.402938  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.75559  7.46227  0.402938  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.9947  7.49805  0.220352  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.9947  7.49805  0.220352  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.52973  7.49805  0.220352  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1411 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.80642  7.49805  0.220352  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.83021  7.49805  0.220352  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.9585  7.5169  0.135594  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.9585  7.5169  0.135594  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  19.4279  7.5169  0.135594  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1400 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  19.3461  7.5169  0.135594  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0692  7.53869  0.0696138  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  12.0692  12.0692  7.53869  0.0696138\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0692  7.53869  0.0696138  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0692  7.53869  0.0696138  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0692  7.53869  0.0696138  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.4143  7.53869  0.0696138  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.7789  7.53869  0.0696138  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.5874  7.53869  0.0696138  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.7314  7.45532  0.397892  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.7314  7.45532  0.397892  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.21005  7.45532  0.397892  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1515 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -10.5812  7.45532  0.397892  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.26903  7.45532  0.397892  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -45.064  7.4908  0.222668  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -45.064  7.4908  0.222668  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.21237  7.4908  0.222668  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1373 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.38909  7.4908  0.222668  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.51849  7.4908  0.222668  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.5488  7.50154  0.137161  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.5488  7.50154  0.137161  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.1758  7.50154  0.137161  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1345 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.9509  7.50154  0.137161  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.049  7.53796  0.0687639  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  12.049  12.049  7.53796  0.0687639\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.049  7.53796  0.0687639  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.049  7.53796  0.0687639  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.049  7.53796  0.0687639  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.4828  7.53796  0.0687639  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.8788  7.53796  0.0687639  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.6885  7.53796  0.0687639  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -84.0514  7.45329  0.38987  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -84.0514  7.45329  0.38987  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.04001  7.45329  0.38987  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1602 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.94317  7.45329  0.38987  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.62206  7.45329  0.38987  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.023  7.50911  0.222848  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.023  7.50911  0.222848  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.67322  7.50911  0.222848  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1372 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.82223  7.50911  0.222848  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.97991  7.50911  0.222848  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.7519  7.52062  0.125962  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.7519  7.52062  0.125962  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.1507  7.52062  0.125962  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1273 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.1343  7.52062  0.125962  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9577  7.54137  0.084901  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  11.9577  11.9577  7.54137  0.084901\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9577  7.54137  0.084901  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9577  7.54137  0.084901  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9577  7.54137  0.084901  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9909  7.54137  0.084901  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1568 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5882  7.54137  0.084901  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4086  7.54137  0.084901  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -87.8039  7.45156  0.41499  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -87.8039  7.45156  0.41499  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.888311  7.45156  0.41499  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1520 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.58131  7.45156  0.41499  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.0383  7.45156  0.41499  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.7176  7.50439  0.245613  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.7176  7.50439  0.245613  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.17042  7.50439  0.245613  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1454 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.25324  7.50439  0.245613  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.30562  7.50439  0.245613  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.2081  7.52322  0.138972  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.2081  7.52322  0.138972  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.8698  7.52322  0.138972  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1423 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.8078  7.52322  0.138972  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9568  7.54161  0.0843751  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  11.9568  11.9568  7.54161  0.0843751\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9568  7.54161  0.0843751  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9568  7.54161  0.0843751  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9568  7.54161  0.0843751  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9915  7.54161  0.0843751  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1571 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5823  7.54161  0.0843751  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3286  7.54161  0.0843751  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.2558  7.45828  0.407678  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.2558  7.45828  0.407678  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.25261  7.45828  0.407678  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1590 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.14498  7.45828  0.407678  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.80698  7.45828  0.407678  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.6969  7.49189  0.24907  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.6969  7.49189  0.24907  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.604323  7.49189  0.24907  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1387 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -0.0101306  7.49189  0.24907  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.22606  7.49189  0.24907  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.5975  7.49302  0.159498  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.5975  7.49302  0.159498  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.01  7.49302  0.159498  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1338 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.7471  7.49302  0.159498  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9562  7.54151  0.0851374  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  11.9562  11.9562  7.54151  0.0851374\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9562  7.54151  0.0851374  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9562  7.54151  0.0851374  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9562  7.54151  0.0851374  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9818  7.54151  0.0851374  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1566 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5998  7.54151  0.0851374  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4205  7.54151  0.0851374  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.2155  7.46199  0.411898  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.2155  7.46199  0.411898  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.48976  7.46199  0.411898  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1537 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.00696  7.46199  0.411898  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.46551  7.46199  0.411898  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -45.2245  7.48581  0.24547  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -45.2245  7.48581  0.24547  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.68261  7.48581  0.24547  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1419 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.7758  7.48581  0.24547  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.92383  7.48581  0.24547  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.5411  7.52742  0.15755  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.5411  7.52742  0.15755  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  24.6745  7.52742  0.15755  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1347 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  24.5575  7.52742  0.15755  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9643  7.54171  0.0837765  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  11.9643  11.9562  7.54151  0.0851374\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9643  7.54171  0.0837765  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9643  7.54171  0.0837765  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9643  7.54171  0.0837765  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9854  7.54171  0.0837765  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1569 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5857  7.54171  0.0837765  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3294  7.54171  0.0837765  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.3443  7.46347  0.40734  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.3443  7.46347  0.40734  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.48089  7.46347  0.40734  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1617 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.40469  7.46347  0.40734  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.53781  7.46347  0.40734  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.3679  7.47885  0.245678  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.3679  7.47885  0.245678  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.78069  7.47885  0.245678  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1447 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.04005  7.47885  0.245678  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.11211  7.47885  0.245678  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.8173  7.50944  0.150792  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.8173  7.50944  0.150792  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  26.0706  7.50944  0.150792  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1348 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  25.7621  7.50944  0.150792  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9535  7.54185  0.0850335  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  11.9535  11.9535  7.54185  0.0850335\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9535  7.54185  0.0850335  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9535  7.54185  0.0850335  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9535  7.54185  0.0850335  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0053  7.54185  0.0850335  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1566 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6203  7.54185  0.0850335  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4418  7.54185  0.0850335  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.8232  7.46325  0.409141  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.8232  7.46325  0.409141  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.825228  7.46325  0.409141  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1531 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.3775  7.46325  0.409141  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.818586  7.46325  0.409141  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -45.1387  7.48438  0.237404  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -45.1387  7.48438  0.237404  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -9.17968  7.48438  0.237404  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1416 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -9.27168  7.48438  0.237404  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.45833  7.48438  0.237404  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.3199  7.51589  0.142513  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.3199  7.51589  0.142513  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.1164  7.51589  0.142513  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.9397  7.51589  0.142513  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9629  7.54185  0.0841752  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  11.9629  11.9535  7.54185  0.0850335\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9629  7.54185  0.0841752  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9629  7.54185  0.0841752  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9629  7.54185  0.0841752  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.997  7.54185  0.0841752  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1566 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6038  7.54185  0.0841752  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.346  7.54185  0.0841752  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.1869  7.45573  0.405459  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.1869  7.45573  0.405459  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  4.932  7.45573  0.405459  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1537 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -0.969662  7.45573  0.405459  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  4.72534  7.45573  0.405459  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.4554  7.46002  0.240409  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.4554  7.46002  0.240409  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.74239  7.46002  0.240409  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1378 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.34404  7.46002  0.240409  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.360498  7.46002  0.240409  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.3687  7.50482  0.134225  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.3687  7.50482  0.134225  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.5876  7.50482  0.134225  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1348 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.4304  7.50482  0.134225  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9557  7.5415  0.0841853  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  11.9557  11.9535  7.54185  0.0850335\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9557  7.5415  0.0841853  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9557  7.5415  0.0841853  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9557  7.5415  0.0841853  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9769  7.5415  0.0841853  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1569 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5544  7.5415  0.0841853  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3017  7.5415  0.0841853  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.3362  7.46127  0.406384  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.3362  7.46127  0.406384  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.0564  7.46127  0.406384  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1623 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.17514  7.46127  0.406384  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.79272  7.46127  0.406384  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.9837  7.48497  0.243918  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.9837  7.48497  0.243918  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.87684  7.48497  0.243918  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1432 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.1233  7.48497  0.243918  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.07596  7.48497  0.243918  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -11.158  7.52903  0.153331  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.158  7.52903  0.153331  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  28.6611  7.52903  0.153331  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1354 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  28.3713  7.52903  0.153331  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9984  7.54147  0.0875341  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  11.9984  11.9535  7.54185  0.0850335\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9984  7.54147  0.0875341  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9984  7.54147  0.0875341  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 60%|██████    | 6/10 [07:44<05:06, 76.62s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  11.9535  7.54185  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9535  7.54185  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0053  7.54185  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1566 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6155  7.54185  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3609  7.54185  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.7145  7.45754  0.403603  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.7145  7.45754  0.403603  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.983499  7.45754  0.403603  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1639 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.43656  7.45754  0.403603  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.49355  7.45754  0.403603  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -45.0938  7.49177  0.233054  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -45.0938  7.49177  0.233054  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.59217  7.49177  0.233054  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1391 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.76753  7.49177  0.233054  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.83995  7.49177  0.233054  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -11.91  7.51561  0.150002  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.91  7.51561  0.150002  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  28.1698  7.51561  0.150002  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1354 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  28.0224  7.51561  0.150002  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.9946  7.546  0.0795767  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  12.9946  12.9946  7.546  0.0795767\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.9946  7.546  0.0795767  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.9946  7.546  0.0795767  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.9946  7.546  0.0795767  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -44.6922  7.546  0.0795767  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1631 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.38  7.546  0.0795767  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.1141  7.546  0.0795767  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -87.6715  7.47918  0.384425  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -87.6715  7.47918  0.384425  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.44081  7.47918  0.384425  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1546 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -10.2169  7.47918  0.384425  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.94849  7.47918  0.384425  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.0433  7.49391  0.221419  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.0433  7.49391  0.221419  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.385255  7.49391  0.221419  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1386 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -0.610457  7.49391  0.221419  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.5668  7.49391  0.221419  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -16.7706  7.51772  0.113493  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -16.7706  7.51772  0.113493  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  18.1447  7.51772  0.113493  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1404 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  18.0676  7.51772  0.113493  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.4096  7.5398  0.0837401  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  11.4096  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.4096  7.5398  0.0837401  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.4096  7.5398  0.0837401  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.4096  7.5398  0.0837401  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9642  7.5398  0.0837401  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1642 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -52.0419  7.5398  0.0837401  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.7798  7.5398  0.0837401  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.2391  7.49336  0.397307  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.2391  7.49336  0.397307  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.73532  7.49336  0.397307  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1446 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.01157  7.49336  0.397307  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.14991  7.49336  0.397307  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -45.3709  7.49159  0.223051  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -45.3709  7.49159  0.223051  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.12695  7.49159  0.223051  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1395 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.20988  7.49159  0.223051  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.29866  7.49159  0.223051  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -11.5349  7.52707  0.150825  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.5349  7.52707  0.150825  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  29.4684  7.52707  0.150825  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1341 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  30.1364  7.52707  0.150825  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9803  7.54901  0.100555  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  11.9803  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9803  7.54901  0.100555  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9803  7.54901  0.100555  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9803  7.54901  0.100555  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -44.6091  7.54901  0.100555  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1627 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -50.9309  7.54901  0.100555  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.6287  7.54901  0.100555  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -84.5657  7.47789  0.397453  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -84.5657  7.47789  0.397453  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.32309  7.47789  0.397453  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1505 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.57889  7.47789  0.397453  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.92679  7.47789  0.397453  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.8106  7.49341  0.206809  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.8106  7.49341  0.206809  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.8691  7.49341  0.206809  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1416 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.8208  7.49341  0.206809  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.0308  7.49341  0.206809  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.5796  7.54007  0.136635  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.5796  7.54007  0.136635  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.8074  7.54007  0.136635  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1336 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.612  7.54007  0.136635  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.4673  7.54696  0.0719671  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  12.4673  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.4673  7.54696  0.0719671  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.4673  7.54696  0.0719671  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.4673  7.54696  0.0719671  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0994  7.54696  0.0719671  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1624 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2514  7.54696  0.0719671  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.9118  7.54696  0.0719671  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -83.4497  7.47642  0.381766  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -83.4497  7.47642  0.381766  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.701192  7.47642  0.381766  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1613 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.50098  7.47642  0.381766  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.35265  7.47642  0.381766  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.1094  7.51453  0.2072  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.1094  7.51453  0.2072  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.23059  7.51453  0.2072  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1360 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.43349  7.51453  0.2072  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.62662  7.51453  0.2072  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.3672  7.53458  0.137561  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.3672  7.53458  0.137561  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.5146  7.53458  0.137561  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1319 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.4777  7.53458  0.137561  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.4678  7.54699  0.0719323  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  12.4678  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.4678  7.54699  0.0719323  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.4678  7.54699  0.0719323  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.4678  7.54699  0.0719323  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0835  7.54699  0.0719323  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1624 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2275  7.54699  0.0719323  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.8876  7.54699  0.0719323  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -83.4425  7.47835  0.380421  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -83.4425  7.47835  0.380421  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.10302  7.47835  0.380421  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1613 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.9012  7.47835  0.380421  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.7811  7.47835  0.380421  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.92  7.50043  0.227284  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.92  7.50043  0.227284  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.41785  7.50043  0.227284  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1435 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.64802  7.50043  0.227284  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.79329  7.50043  0.227284  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.5896  7.54135  0.133162  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.5896  7.54135  0.133162  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.8034  7.54135  0.133162  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1320 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.7095  7.54135  0.133162  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.4678  7.54687  0.0718914  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  12.4678  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.4678  7.54687  0.0718914  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.4678  7.54687  0.0718914  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.4678  7.54687  0.0718914  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.0821  7.54687  0.0718914  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1624 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.2282  7.54687  0.0718914  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.8119  7.54687  0.0718914  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.4342  7.45093  0.387014  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.4342  7.45093  0.387014  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.22503  7.45093  0.387014  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1652 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.39157  7.45093  0.387014  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.94866  7.45093  0.387014  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -40.8873  7.5057  0.22237  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -40.8873  7.5057  0.22237  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.418066  7.5057  0.22237  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1373 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  6.97163  7.5057  0.22237  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  9.99917  7.5057  0.22237  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -3.70289  7.51972  0.14686  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -3.70289  7.51972  0.14686  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  33.7268  7.51972  0.14686  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1397 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  33.4562  7.51972  0.14686  0.44\n",
      "protocols.relax.FastRelax: CMD: min  17.6302  7.54337  0.0994891  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  17.6302  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  17.6302  7.54337  0.0994891  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  17.6302  7.54337  0.0994891  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  17.6302  7.54337  0.0994891  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -39.2167  7.54337  0.0994891  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1771 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -48.1691  7.54337  0.0994891  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.7361  7.54337  0.0994891  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.5187  7.45066  0.401718  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.5187  7.45066  0.401718  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.319544  7.45066  0.401718  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1736 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.73771  7.45066  0.401718  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.0995263  7.45066  0.401718  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.1123  7.49381  0.224633  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.1123  7.49381  0.224633  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.84758  7.49381  0.224633  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1563 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.10257  7.49381  0.224633  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.29931  7.49381  0.224633  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.7872  7.52183  0.127665  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.7872  7.52183  0.127665  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.2365  7.52183  0.127665  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1444 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.1912  7.52183  0.127665  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.702  7.54747  0.0735121  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  12.702  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.702  7.54747  0.0735121  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.702  7.54747  0.0735121  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.702  7.54747  0.0735121  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -44.9676  7.54747  0.0735121  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1626 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.1392  7.54747  0.0735121  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.7099  7.54747  0.0735121  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -83.785  7.4856  0.351919  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -83.785  7.4856  0.351919  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.88837  7.4856  0.351919  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1494 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -12.6517  7.4856  0.351919  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.87347  7.4856  0.351919  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.064  7.5185  0.202915  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.064  7.5185  0.202915  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.44766  7.5185  0.202915  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1363 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.57673  7.5185  0.202915  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.79326  7.5185  0.202915  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.9755  7.52347  0.133098  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.9755  7.52347  0.133098  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.7658  7.52347  0.133098  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1333 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.7305  7.52347  0.133098  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.6991  7.54754  0.0732452  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  12.6991  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.6991  7.54754  0.0732452  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.6991  7.54754  0.0732452  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.6991  7.54754  0.0732452  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -44.9781  7.54754  0.0732452  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1626 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.1431  7.54754  0.0732452  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.7113  7.54754  0.0732452  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -87.4499  7.4579  0.378187  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -87.4499  7.4579  0.378187  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.39207  7.4579  0.378187  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1578 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.74624  7.4579  0.378187  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.37622  7.4579  0.378187  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -40.6537  7.54262  0.219543  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -40.6537  7.54262  0.219543  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.39414  7.54262  0.219543  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1377 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.91275  7.54262  0.219543  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.06664  7.54262  0.219543  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.2222  7.51688  0.132227  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.2222  7.51688  0.132227  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.5733  7.51688  0.132227  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1318 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.3709  7.51688  0.132227  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.7011  7.54759  0.0732258  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  12.7011  11.4096  7.5398  0.0837401\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.7011  7.54759  0.0732258  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.7011  7.54759  0.0732258  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 70%|███████   | 7/10 [09:00<03:49, 76.50s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  11.4096  7.5398  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.4096  7.5398  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9642  7.5398  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1642 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -52.0419  7.5398  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.7798  7.5398  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.2391  7.49336  0.395846  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.2391  7.49336  0.395846  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.73532  7.49336  0.395846  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1446 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -1.01157  7.49336  0.395846  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.14991  7.49336  0.395846  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -45.3709  7.49159  0.213428  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -45.3709  7.49159  0.213428  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.12695  7.49159  0.213428  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1395 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.4305  7.49159  0.213428  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.53921  7.49159  0.213428  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.142  7.52533  0.140176  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.142  7.52533  0.140176  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.9454  7.52533  0.140176  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1357 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.5592  7.52533  0.140176  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0507  7.53834  0.0603377  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  12.0507  12.0507  7.53834  0.0603377\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0507  7.53834  0.0603377  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0507  7.53834  0.0603377  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0507  7.53834  0.0603377  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.46  7.53834  0.0603377  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1639 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.8238  7.53834  0.0603377  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.6337  7.53834  0.0603377  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -83.8784  7.44829  0.38707  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -83.8784  7.44829  0.38707  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  4.40358  7.44829  0.38707  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1604 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.55386  7.44829  0.38707  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.891811  7.44829  0.38707  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.238  7.48129  0.216731  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.238  7.48129  0.216731  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.37159  7.48129  0.216731  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1366 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.5933  7.48129  0.216731  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.7485  7.48129  0.216731  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.467  7.52312  0.12502  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.467  7.52312  0.12502  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.4182  7.52312  0.12502  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.397  7.52312  0.12502  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9564  7.54133  0.0832761  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  11.9564  11.9564  7.54133  0.0832761\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9564  7.54133  0.0832761  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9564  7.54133  0.0832761  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9564  7.54133  0.0832761  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9507  7.54133  0.0832761  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1566 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5637  7.54133  0.0832761  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.388  7.54133  0.0832761  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.5127  7.46939  0.394619  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.5127  7.46939  0.394619  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.82351  7.46939  0.394619  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1533 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.75629  7.46939  0.394619  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.38069  7.46939  0.394619  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.3976  7.5051  0.223257  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.3976  7.5051  0.223257  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.85375  7.5051  0.223257  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1392 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.91577  7.5051  0.223257  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.189198  7.5051  0.223257  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.1158  7.52626  0.148127  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.1158  7.52626  0.148127  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  25.6874  7.52626  0.148127  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  25.3757  7.52626  0.148127  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9668  7.54179  0.082459  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  11.9668  11.9564  7.54133  0.0832761\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9668  7.54179  0.082459  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9668  7.54179  0.082459  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9668  7.54179  0.082459  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9862  7.54179  0.082459  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1569 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.579  7.54179  0.082459  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3225  7.54179  0.082459  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.4154  7.45437  0.39733  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.4154  7.45437  0.39733  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.29196  7.45437  0.39733  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1541 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -0.691868  7.45437  0.39733  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  5.08753  7.45437  0.39733  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.9917  7.49973  0.222473  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.9917  7.49973  0.222473  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.9119  7.49973  0.222473  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1374 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.36346  7.49973  0.222473  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.50824  7.49973  0.222473  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.5625  7.52255  0.143513  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.5625  7.52255  0.143513  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.6934  7.52255  0.143513  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1344 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.6548  7.52255  0.143513  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9556  7.54143  0.0834481  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  11.9556  11.9556  7.54143  0.0834481\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9556  7.54143  0.0834481  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9556  7.54143  0.0834481  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9556  7.54143  0.0834481  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9874  7.54143  0.0834481  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1569 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5792  7.54143  0.0834481  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4007  7.54143  0.0834481  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -91.948  7.44794  0.440906  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -91.948  7.44794  0.440906  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.74695  7.44794  0.440906  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1676 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.1199  7.44794  0.440906  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.96696  7.44794  0.440906  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.2657  7.49866  0.233121  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.2657  7.49866  0.233121  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.71618  7.49866  0.233121  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1481 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.82165  7.49866  0.233121  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.87838  7.49866  0.233121  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.0235  7.52218  0.151447  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.0235  7.52218  0.151447  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.7415  7.52218  0.151447  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1349 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.5335  7.52218  0.151447  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9987  7.54064  0.0858838  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  11.9987  11.9556  7.54143  0.0834481\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9987  7.54064  0.0858838  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9987  7.54064  0.0858838  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9987  7.54064  0.0858838  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9616  7.54064  0.0858838  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1634 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6001  7.54064  0.0858838  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3307  7.54064  0.0858838  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.6922  7.45306  0.386044  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.6922  7.45306  0.386044  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.20629  7.45306  0.386044  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1525 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.72157  7.45306  0.386044  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.779657  7.45306  0.386044  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.7921  7.49124  0.223832  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.7921  7.49124  0.223832  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.57466  7.49124  0.223832  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1376 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.77519  7.49124  0.223832  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.94477  7.49124  0.223832  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.9668  7.52244  0.142637  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.9668  7.52244  0.142637  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  24.6167  7.52244  0.142637  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  24.4332  7.52244  0.142637  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0065  7.54159  0.0857929  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  12.0065  11.9556  7.54143  0.0834481\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0065  7.54159  0.0857929  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0065  7.54159  0.0857929  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0065  7.54159  0.0857929  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0136  7.54159  0.0857929  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1636 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6906  7.54159  0.0857929  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4191  7.54159  0.0857929  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.3308  7.463  0.388013  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.3308  7.463  0.388013  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.35726  7.463  0.388013  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1521 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.50885  7.463  0.388013  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.31056  7.463  0.388013  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.9292  7.51239  0.235511  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.9292  7.51239  0.235511  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.96671  7.51239  0.235511  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1389 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.24868  7.51239  0.235511  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.813786  7.51239  0.235511  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.6616  7.51534  0.139336  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.6616  7.51534  0.139336  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.2055  7.51534  0.139336  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.1546  7.51534  0.139336  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9948  7.54133  0.0859035  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  11.9948  11.9556  7.54143  0.0834481\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9948  7.54133  0.0859035  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9948  7.54133  0.0859035  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9948  7.54133  0.0859035  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9894  7.54133  0.0859035  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6338  7.54133  0.0859035  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4403  7.54133  0.0859035  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.4725  7.44185  0.398403  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.4725  7.44185  0.398403  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.01222  7.44185  0.398403  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1532 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.16391  7.44185  0.398403  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.68213  7.44185  0.398403  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.6805  7.51059  0.231422  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.6805  7.51059  0.231422  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.40997  7.51059  0.231422  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1392 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.42133  7.51059  0.231422  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.48496  7.51059  0.231422  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.3154  7.53141  0.12938  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.3154  7.53141  0.12938  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  24.2157  7.53141  0.12938  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  24.1769  7.53141  0.12938  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0009  7.54165  0.0854002  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  12.0009  11.9556  7.54143  0.0834481\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0009  7.54165  0.0854002  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0009  7.54165  0.0854002  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0009  7.54165  0.0854002  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9899  7.54165  0.0854002  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6612  7.54165  0.0854002  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3892  7.54165  0.0854002  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.3846  7.45777  0.40587  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.3846  7.45777  0.40587  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.44895  7.45777  0.40587  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1607 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  0.502387  7.45777  0.40587  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.324  7.45777  0.40587  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.9974  7.49427  0.230993  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.9974  7.49427  0.230993  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -9.49836  7.49427  0.230993  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1391 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -9.73643  7.49427  0.230993  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.06018  7.49427  0.230993  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.5558  7.51834  0.155381  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.5558  7.51834  0.155381  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  26.8144  7.51834  0.155381  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1347 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  26.7623  7.51834  0.155381  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9915  7.54148  0.0857098  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  11.9915  11.9556  7.54143  0.0834481\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9915  7.54148  0.0857098  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9915  7.54148  0.0857098  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9915  7.54148  0.0857098  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9885  7.54148  0.0857098  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6333  7.54148  0.0857098  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3639  7.54148  0.0857098  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -81.3453  7.45565  0.400229  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -81.3453  7.45565  0.400229  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.85024  7.45565  0.400229  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1579 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.08799  7.45565  0.400229  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.25983  7.45565  0.400229  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.95  7.48476  0.205057  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.95  7.48476  0.205057  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.3027  7.48476  0.205057  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1459 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.48933  7.48476  0.205057  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.72246  7.48476  0.205057  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.1143  7.50902  0.122421  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.1143  7.50902  0.122421  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.2959  7.50902  0.122421  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1343 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.1947  7.50902  0.122421  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0001  7.54083  0.0862701  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  12.0001  11.9556  7.54143  0.0834481\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0001  7.54083  0.0862701  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0001  7.54083  0.0862701  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 80%|████████  | 8/10 [10:17<02:32, 76.36s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  11.9556  7.54143  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9556  7.54143  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9874  7.54143  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1569 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5792  7.54143  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4007  7.54143  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -91.948  7.44794  0.4297  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -91.948  7.44794  0.4297  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.74695  7.44794  0.4297  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1676 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.1199  7.44794  0.4297  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.96696  7.44794  0.4297  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.2657  7.49866  0.217842  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.2657  7.49866  0.217842  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.71618  7.49866  0.217842  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1481 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.82165  7.49866  0.217842  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.87838  7.49866  0.217842  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.0235  7.52218  0.128733  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.0235  7.52218  0.128733  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.7415  7.52218  0.128733  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1349 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.5335  7.52218  0.128733  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9987  7.54064  0.0064796  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  11.9987  11.9987  7.54064  0.0064796\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9987  7.54064  0.0064796  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9987  7.54064  0.0064796  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9987  7.54064  0.0064796  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9616  7.54064  0.0064796  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1634 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6001  7.54064  0.0064796  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3307  7.54064  0.0064796  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.6922  7.45306  0.37574  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.6922  7.45306  0.37574  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.20629  7.45306  0.37574  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1525 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.72157  7.45306  0.37574  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.779657  7.45306  0.37574  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.7921  7.49124  0.207646  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.7921  7.49124  0.207646  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.57466  7.49124  0.207646  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1376 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.77519  7.49124  0.207646  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.94477  7.49124  0.207646  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.9668  7.52244  0.111536  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.9668  7.52244  0.111536  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  24.6167  7.52244  0.111536  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  24.4332  7.52244  0.111536  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0065  7.54159  0.00716293  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  12.0065  11.9987  7.54064  0.0064796\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0065  7.54159  0.00716293  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0065  7.54159  0.00716293  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0065  7.54159  0.00716293  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0136  7.54159  0.00716293  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1636 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6906  7.54159  0.00716293  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4191  7.54159  0.00716293  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.3308  7.463  0.381796  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.3308  7.463  0.381796  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.35726  7.463  0.381796  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1521 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.50885  7.463  0.381796  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.31056  7.463  0.381796  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.9292  7.51239  0.229389  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.9292  7.51239  0.229389  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.96671  7.51239  0.229389  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1389 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -2.24868  7.51239  0.229389  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.813786  7.51239  0.229389  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.6616  7.51534  0.113243  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.6616  7.51534  0.113243  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.2055  7.51534  0.113243  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.1546  7.51534  0.113243  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9948  7.54133  0.00593792  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  11.9948  11.9948  7.54133  0.00593792\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9948  7.54133  0.00593792  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9948  7.54133  0.00593792  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9948  7.54133  0.00593792  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9894  7.54133  0.00593792  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6338  7.54133  0.00593792  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4403  7.54133  0.00593792  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.4725  7.44185  0.385015  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.4725  7.44185  0.385015  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.01222  7.44185  0.385015  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1532 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.16391  7.44185  0.385015  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.68213  7.44185  0.385015  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.6805  7.51059  0.216363  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.6805  7.51059  0.216363  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.40997  7.51059  0.216363  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1392 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.42133  7.51059  0.216363  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.48496  7.51059  0.216363  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.3154  7.53141  0.113664  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.3154  7.53141  0.113664  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  24.2157  7.53141  0.113664  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1350 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  24.1769  7.53141  0.113664  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0009  7.54165  0.00645783  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  12.0009  11.9948  7.54133  0.00593792\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0009  7.54165  0.00645783  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0009  7.54165  0.00645783  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0009  7.54165  0.00645783  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9899  7.54165  0.00645783  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6612  7.54165  0.00645783  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3892  7.54165  0.00645783  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.3846  7.45777  0.397865  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.3846  7.45777  0.397865  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.44895  7.45777  0.397865  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1607 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  0.502387  7.45777  0.397865  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.324  7.45777  0.397865  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.9974  7.49427  0.209009  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.9974  7.49427  0.209009  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -9.49836  7.49427  0.209009  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1391 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -9.73643  7.49427  0.209009  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.06018  7.49427  0.209009  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.5558  7.51834  0.131903  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.5558  7.51834  0.131903  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  26.8144  7.51834  0.131903  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1347 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  26.7623  7.51834  0.131903  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9915  7.54148  0.00555165  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  11.9915  11.9915  7.54148  0.00555165\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9915  7.54148  0.00555165  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9915  7.54148  0.00555165  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9915  7.54148  0.00555165  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9885  7.54148  0.00555165  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.097  7.54148  0.00555165  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -49.7936  7.54148  0.00555165  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -89.9708  7.47068  0.375693  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -89.9708  7.47068  0.375693  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.014595  7.47068  0.375693  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1598 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.97316  7.47068  0.375693  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.34606  7.47068  0.375693  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.3212  7.49235  0.218848  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.3212  7.49235  0.218848  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.22137  7.49235  0.218848  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1417 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.31766  7.49235  0.218848  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.33701  7.49235  0.218848  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -9.82714  7.52892  0.133943  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -9.82714  7.52892  0.133943  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  32.5229  7.52892  0.133943  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1361 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  31.3195  7.52892  0.133943  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9898  7.54113  0.00523363  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  11.9898  11.9898  7.54113  0.00523363\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9898  7.54113  0.00523363  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9898  7.54113  0.00523363  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9898  7.54113  0.00523363  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9802  7.54113  0.00523363  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6194  7.54113  0.00523363  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4266  7.54113  0.00523363  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.4027  7.4375  0.385351  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.4027  7.4375  0.385351  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.01935  7.4375  0.385351  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1530 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.23426  7.4375  0.385351  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.79943  7.4375  0.385351  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.5348  7.48819  0.212922  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.5348  7.48819  0.212922  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.93063  7.48819  0.212922  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1392 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.02433  7.48819  0.212922  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.0708913  7.48819  0.212922  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.4225  7.5047  0.119909  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.4225  7.5047  0.119909  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.4462  7.5047  0.119909  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1347 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.3105  7.5047  0.119909  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0011  7.54167  0.00618843  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  12.0011  11.9898  7.54113  0.00523363\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0011  7.54167  0.00618843  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0011  7.54167  0.00618843  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0011  7.54167  0.00618843  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.001  7.54167  0.00618843  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6677  7.54167  0.00618843  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3951  7.54167  0.00618843  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.3985  7.45811  0.399018  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.3985  7.45811  0.399018  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.87126  7.45811  0.399018  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1607 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  0.990557  7.45811  0.399018  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  6.84504  7.45811  0.399018  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.818  7.48879  0.206044  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.818  7.48879  0.206044  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.462  7.48879  0.206044  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1454 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.70778  7.48879  0.206044  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.721561  7.48879  0.206044  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -11.6945  7.55026  0.116558  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -11.6945  7.55026  0.116558  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  25.807  7.55026  0.116558  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1342 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  25.7367  7.55026  0.116558  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9896  7.54127  0.00510025  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  11.9896  11.9896  7.54127  0.00510025\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9896  7.54127  0.00510025  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9896  7.54127  0.00510025  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9896  7.54127  0.00510025  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9861  7.54127  0.00510025  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6264  7.54127  0.00510025  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4337  7.54127  0.00510025  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -90.3204  7.44609  0.403197  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -90.3204  7.44609  0.403197  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.19694  7.44609  0.403197  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1589 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.47066  7.44609  0.403197  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.773254  7.44609  0.403197  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.9564  7.49401  0.223412  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.9564  7.49401  0.223412  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.11858  7.49401  0.223412  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1400 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.21602  7.49401  0.223412  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.2502  7.49401  0.223412  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.8709  7.51669  0.122422  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.8709  7.51669  0.122422  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.4361  7.51669  0.122422  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1348 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.2269  7.51669  0.122422  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9884  7.54133  0.00541316  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  11.9884  11.9884  7.54133  0.00541316\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9884  7.54133  0.00541316  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9884  7.54133  0.00541316  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9884  7.54133  0.00541316  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9923  7.54133  0.00541316  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6274  7.54133  0.00541316  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3587  7.54133  0.00541316  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -91.4489  7.44236  0.400583  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -91.4489  7.44236  0.400583  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.114599  7.44236  0.400583  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1624 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.81961  7.44236  0.400583  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.0783  7.44236  0.400583  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.6714  7.49898  0.232394  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.6714  7.49898  0.232394  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.57256  7.49898  0.232394  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1380 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.64776  7.49898  0.232394  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.66378  7.49898  0.232394  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -15.2657  7.52038  0.129143  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -15.2657  7.52038  0.129143  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.4891  7.52038  0.129143  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1400 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.4136  7.52038  0.129143  0.44\n",
      "protocols.relax.FastRelax: CMD: min  13.0502  7.54596  0.0786217  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  13.0502  11.9884  7.54133  0.00541316\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  13.0502  7.54596  0.0786217  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  13.0502  7.54596  0.0786217  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      " 90%|█████████ | 9/10 [11:32<01:16, 76.10s/it]"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "protocols.relax.FastRelax: CMD: repeat  11.9884  7.54133  0  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9884  7.54133  0  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9923  7.54133  0  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6312  7.54133  0  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4384  7.54133  0  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -92.1893  7.44893  0.428944  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -92.1893  7.44893  0.428944  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.241929  7.44893  0.428944  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1686 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.19911  7.44893  0.428944  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.85431  7.44893  0.428944  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.5708  7.53196  0.250963  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.5708  7.53196  0.250963  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.35863  7.53196  0.250963  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1472 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.70914  7.53196  0.250963  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.64782  7.53196  0.250963  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.962  7.5096  0.133472  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.962  7.5096  0.133472  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.3588  7.5096  0.133472  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1417 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.1284  7.5096  0.133472  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9962  7.54103  0.00218048  0.44\n",
      "protocols.relax.FastRelax: MRP: 0  11.9962  11.9962  7.54103  0.00218048\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9962  7.54103  0.00218048  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9962  7.54103  0.00218048  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9962  7.54103  0.00218048  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9641  7.54103  0.00218048  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.601  7.54103  0.00218048  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3342  7.54103  0.00218048  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -87.5832  7.4384  0.384782  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -87.5832  7.4384  0.384782  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  0.520804  7.4384  0.384782  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1536 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.86109  7.4384  0.384782  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.388863  7.4384  0.384782  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.8081  7.48506  0.199799  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.8081  7.48506  0.199799  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.61426  7.48506  0.199799  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1369 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.68373  7.48506  0.199799  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.85088  7.48506  0.199799  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.3304  7.54244  0.129031  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.3304  7.54244  0.129031  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  26.7578  7.54244  0.129031  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1359 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  26.6759  7.54244  0.129031  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0008  7.54147  0.00326655  0.44\n",
      "protocols.relax.FastRelax: MRP: 1  12.0008  11.9962  7.54103  0.00218048\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0008  7.54147  0.00326655  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0008  7.54147  0.00326655  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0008  7.54147  0.00326655  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9872  7.54147  0.00326655  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6594  7.54147  0.00326655  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3871  7.54147  0.00326655  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.8754  7.45529  0.383613  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.8754  7.45529  0.383613  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.25627  7.45529  0.383613  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1528 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.66056  7.45529  0.383613  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.97381  7.45529  0.383613  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.9832  7.49015  0.207715  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.9832  7.49015  0.207715  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.51026  7.49015  0.207715  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1405 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.76269  7.49015  0.207715  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.87345  7.49015  0.207715  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.398  7.52214  0.123828  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.398  7.52214  0.123828  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  24.4983  7.52214  0.123828  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1344 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  24.0908  7.52214  0.123828  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9896  7.5413  0.00201226  0.44\n",
      "protocols.relax.FastRelax: MRP: 2  11.9896  11.9896  7.5413  0.00201226\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9896  7.5413  0.00201226  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9896  7.5413  0.00201226  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9896  7.5413  0.00201226  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.972  7.5413  0.00201226  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6091  7.5413  0.00201226  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4169  7.5413  0.00201226  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.5113  7.46132  0.378903  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.5113  7.46132  0.378903  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.62963  7.46132  0.378903  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1527 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.79175  7.46132  0.378903  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.4885  7.46132  0.378903  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.6151  7.50515  0.205051  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.6151  7.50515  0.205051  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -8.43363  7.50515  0.205051  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1374 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -8.52488  7.50515  0.205051  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -5.70921  7.50515  0.205051  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.0052  7.5337  0.106976  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.0052  7.5337  0.106976  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.4238  7.5337  0.106976  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1342 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.2339  7.5337  0.106976  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0028  7.54159  0.00288484  0.44\n",
      "protocols.relax.FastRelax: MRP: 3  12.0028  11.9896  7.5413  0.00201226\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0028  7.54159  0.00288484  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0028  7.54159  0.00288484  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0028  7.54159  0.00288484  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.997  7.54159  0.00288484  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.664  7.54159  0.00288484  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3916  7.54159  0.00288484  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.8733  7.4533  0.384077  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.8733  7.4533  0.384077  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.39303  7.4533  0.384077  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1526 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.61806  7.4533  0.384077  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  1.99053  7.4533  0.384077  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.2778  7.48011  0.217101  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.2778  7.48011  0.217101  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.03507  7.48011  0.217101  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1384 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.4381  7.48011  0.217101  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.48884  7.48011  0.217101  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.5534  7.51914  0.130992  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.5534  7.51914  0.130992  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  25.6462  7.51914  0.130992  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1345 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  25.5449  7.51914  0.130992  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9925  7.54134  0.00092928  0.44\n",
      "protocols.relax.FastRelax: MRP: 4  11.9925  11.9896  7.5413  0.00201226\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9925  7.54134  0.00092928  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9925  7.54134  0.00092928  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9925  7.54134  0.00092928  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9793  7.54134  0.00092928  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6201  7.54134  0.00092928  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.4269  7.54134  0.00092928  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -88.5072  7.44746  0.385865  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -88.5072  7.44746  0.385865  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.45545  7.44746  0.385865  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1532 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.4053  7.44746  0.385865  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -1.97308  7.44746  0.385865  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.6254  7.50779  0.224071  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.6254  7.50779  0.224071  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.60354  7.50779  0.224071  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1395 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.65348  7.50779  0.224071  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.75117  7.50779  0.224071  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -13.3768  7.52295  0.1165  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -13.3768  7.52295  0.1165  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  23.4966  7.52295  0.1165  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1351 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  23.4568  7.52295  0.1165  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9992  7.54177  0.00304212  0.44\n",
      "protocols.relax.FastRelax: MRP: 5  11.9992  11.9896  7.5413  0.00201226\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9992  7.54177  0.00304212  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9992  7.54177  0.00304212  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9992  7.54177  0.00304212  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -46.0015  7.54177  0.00304212  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6675  7.54177  0.00304212  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3951  7.54177  0.00304212  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.5258  7.45938  0.399816  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.5258  7.45938  0.399816  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  7.57811  7.45938  0.399816  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1606 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  1.79487  7.45938  0.399816  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  7.76149  7.45938  0.399816  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -44.0056  7.50099  0.213647  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -44.0056  7.50099  0.213647  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -7.37545  7.50099  0.213647  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1416 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -7.67513  7.50099  0.213647  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.85626  7.50099  0.213647  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.0561  7.50374  0.124448  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.0561  7.50374  0.124448  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  22.1497  7.50374  0.124448  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1352 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  22.037  7.50374  0.124448  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.9894  7.54138  0.000874389  0.44\n",
      "protocols.relax.FastRelax: MRP: 6  11.9894  11.9894  7.54138  0.000874389\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.9894  7.54138  0.000874389  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.9894  7.54138  0.000874389  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  11.9894  7.54138  0.000874389  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9887  7.54138  0.000874389  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1638 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6328  7.54138  0.000874389  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3638  7.54138  0.000874389  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -83.1038  7.41285  0.366163  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -83.1038  7.41285  0.366163  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  3.16598  7.41285  0.366163  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1584 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.03273  7.41285  0.366163  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.809989  7.41285  0.366163  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -42.2555  7.49271  0.195781  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -42.2555  7.49271  0.195781  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -4.75922  7.49271  0.195781  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1378 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -4.93433  7.49271  0.195781  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -2.01605  7.49271  0.195781  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.5597  7.52617  0.090644  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.5597  7.52617  0.090644  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  20.6495  7.52617  0.090644  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1338 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  20.5387  7.52617  0.090644  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0085  7.54131  0.00441865  0.44\n",
      "protocols.relax.FastRelax: MRP: 7  12.0085  11.9894  7.54138  0.000874389\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0085  7.54131  0.00441865  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0085  7.54131  0.00441865  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0085  7.54131  0.00441865  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9357  7.54131  0.00441865  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1569 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.5817  7.54131  0.00441865  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3252  7.54131  0.00441865  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.7736  7.45786  0.38629  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.7736  7.45786  0.38629  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.0905467  7.45786  0.38629  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1552 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -5.9153  7.45786  0.38629  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.515355  7.45786  0.38629  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -43.278  7.49498  0.212104  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -43.278  7.49498  0.212104  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -6.48932  7.49498  0.212104  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1381 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -6.81588  7.49498  0.212104  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.94814  7.49498  0.212104  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -12.5721  7.53004  0.128974  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -12.5721  7.53004  0.128974  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  25.5434  7.53004  0.128974  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1353 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  25.4509  7.53004  0.128974  0.44\n",
      "protocols.relax.FastRelax: CMD: min  12.0046  7.54151  0.00312927  0.44\n",
      "protocols.relax.FastRelax: MRP: 8  12.0046  11.9894  7.54138  0.000874389\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  12.0046  7.54151  0.00312927  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  12.0046  7.54151  0.00312927  0.44\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  12.0046  7.54151  0.00312927  0.44\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -45.9918  7.54151  0.00312927  0.0176\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1637 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -51.6497  7.54151  0.00312927  0.0176\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -50.3782  7.54151  0.00312927  0.02244\n",
      "protocols.relax.FastRelax: CMD: min  -86.9052  7.45533  0.383539  0.02244\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -86.9052  7.45533  0.383539  0.02244\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.45437  7.45533  0.383539  0.1166\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1528 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.50298  7.45533  0.383539  0.1166\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  2.11512  7.45533  0.383539  0.1232\n",
      "protocols.relax.FastRelax: CMD: min  -41.7877  7.46982  0.221221  0.1232\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -41.7877  7.46982  0.221221  0.1232\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -3.09297  7.46982  0.221221  0.24596\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1378 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  -3.67142  7.46982  0.221221  0.24596\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  -0.691281  7.46982  0.221221  0.25564\n",
      "protocols.relax.FastRelax: CMD: min  -14.5464  7.51987  0.114469  0.25564\n",
      "protocols.relax.FastRelax: CMD: coord_cst_weight  -14.5464  7.51987  0.114469  0.25564\n",
      "protocols.relax.FastRelax: CMD: scale:fa_rep  21.5626  7.51987  0.114469  0.44\n",
      "core.pack.task: Packer task: initialize from command line()\n",
      "core.pack.pack_rotamers: built 1353 rotamers at 99 positions.\n",
      "core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\n",
      "protocols.relax.FastRelax: CMD: repack  21.4745  7.51987  0.114469  0.44\n",
      "protocols.relax.FastRelax: CMD: min  11.993  7.54131  0.00144103  0.44\n",
      "protocols.relax.FastRelax: MRP: 9  11.993  11.9894  7.54138  0.000874389\n",
      "protocols.relax.FastRelax: CMD: accept_to_best  11.993  7.54131  0.00144103  0.44\n",
      "protocols.relax.FastRelax: CMD: endrepeat  11.993  7.54131  0.00144103  0.44\n",
      "protocols::checkpoint: Deleting checkpoints of FastRelax\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "100%|██████████| 10/10 [12:47<00:00, 76.79s/it]\n"
     ]
    }
   ],
   "source": [
    "from tqdm import tqdm\n",
    "\n",
    "for i in tqdm(range(num_iterations)):  \n",
    "    fast_relax.apply(pose)\n",
    "    mc.boltzmann(pose)\n",
    "\n",
    "    # Convert the pose to a PDB string\n",
    "    pose.dump_pdb(os.path.join( render_path , f'render_{i}.pdb'))\n",
    "    "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pose.dump_pdb(\"output_chain_a_final.pdb\")"
   ]
  }
 ],
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