SubTest PyRosetta.unit.Workshop3test

Branch: rosetta:commits 「revision: №20469」
Test: linux.clang.python310.PyRosetta.unit
SubTest: Workshop3test
SubTest files: 「file-system-view」
Daemon: hojo-3
State: Workshop3test

core.init: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: 2024.35.post.dev+5.HEAD.c9abca8 c9abca83f0a4dd927aceaa98f4ceeb8708e10f37 git@github.com:RosettaCommons/rosetta.git 2024-09-07T17:30:08 core.init: Rosetta extras: [] core.init: command: PyRosetta -ex1 -ex2aro -constant_seed -database /home/benchmark/rosetta/source/build/PyRosetta/Linux-5.4.0-84-generic-x86_64-with-glibc2.17/clang-3.4.2/python-3.10/minsizerel/build/pyrosetta/database basic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937 core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 985 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 1.11 seconds. core.import_pose.import_pose: File '../test/data/workshops/6Q21.clean.pdb' automatically determined to be of type PDB core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv basic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb basic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat core.scoring.elec.util: Read 40 countpair representative atoms core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true. core.pack.dunbrack.RotamerLibrary: shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated. core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /home/benchmark/rosetta/source/build/PyRosetta/Linux-5.4.0-84-generic-x86_64-with-glibc2.17/clang-3.4.2/python-3.10/minsizerel/build/pyrosetta/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/home/benchmark/rosetta/source/build/PyRosetta/Linux-5.4.0-84-generic-x86_64-with-glibc2.17/clang-3.4.2/python-3.10/minsizerel/build/pyrosetta/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'. core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.21 seconds to load from binary core.scoring.ScoreFunction: ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 1.000 -4241.897 -4241.897 fa_rep 0.550 4336.454 2385.050 fa_sol 1.000 2798.424 2798.424 fa_intra_rep 0.005 3035.687 15.178 fa_intra_sol_xover4 1.000 180.944 180.944 lk_ball_wtd 1.000 -56.460 -56.460 fa_elec 1.000 -933.702 -933.702 pro_close 1.250 270.565 338.206 hbond_sr_bb 1.000 -181.224 -181.224 hbond_lr_bb 1.000 -130.586 -130.586 hbond_bb_sc 1.000 -58.168 -58.168 hbond_sc 1.000 -38.850 -38.850 dslf_fa13 1.250 0.000 0.000 omega 0.400 149.145 59.658 fa_dun 0.700 4635.733 3245.013 p_aa_pp 0.600 -101.427 -60.856 yhh_planarity 0.625 0.000 0.000 ref 1.000 188.455 188.455 rama_prepro 0.450 591.830 266.324 --------------------------------------------------- Total weighted score: 3775.512 core.scoring.Energies: E fa_atr fa_rep fa_sol fa_intra_repfa_intra_sol_x lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro core.scoring.Energies: E(i) 24 -7.40 19.03 2.94 8.76 0.09 -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.12 2.68 0.06 0.00 2.30 3.58 core.scoring.hbonds.HBondSet: #Dch Dn Dres Da Ach An Ares Aa length AHDang BAHang BAtor weight energy core.scoring.hbonds.HBondSet: #A 1 MET N B 162 GLU OE1 1.87 152.3 115.2 157.1 1.000 -1.850 core.scoring.hbonds.HBondSet: #A 1 MET N B 165 GLN OE1 1.59 159.1 136.2 147.7 0.859 -1.567 core.scoring.hbonds.HBondSet: #A 52 LEU N A 2 THR O 1.59 171.0 149.6 134.7 1.000 -0.439 core.scoring.hbonds.HBondSet: #A 2 THR N A 50 THR O 2.01 158.3 155.0 -175.7 1.000 -1.342 core.scoring.hbonds.HBondSet: #A 4 TYR N A 52 LEU O 1.71 146.0 157.4 151.1 1.000 -0.468 core.scoring.hbonds.HBondSet: #A 54 ASP N A 4 TYR O 1.72 151.1 150.2 49.0 1.000 -0.601 core.scoring.hbonds.HBondSet: #A 5 LYS N A 76 GLU OE1 1.52 175.1 149.4 13.9 0.765 -1.324 core.scoring.hbonds.HBondSet: #A 76 GLU N A 5 LYS O 1.97 142.0 123.6 -73.8 1.000 -0.616 core.scoring.hbonds.HBondSet: #A 77 GLY N A 5 LYS O 2.16 141.0 146.4 -155.0 1.000 -0.989 core.scoring.hbonds.HBondSet: #A 6 LEU N A 54 ASP O 1.88 169.2 151.8 102.5 1.000 -1.038 core.scoring.hbonds.HBondSet: #A 56 LEU N A 6 LEU O 2.05 163.6 163.5 167.1 1.000 -1.200 core.scoring.hbonds.HBondSet: #A 7 VAL N A 77 GLY O 1.65 159.9 148.6 -140.0 1.000 -0.669 core.scoring.hbonds.HBondSet: #A 8 VAL N A 56 LEU O 2.14 166.5 145.2 73.7 1.000 -1.058 core.scoring.hbonds.HBondSet: #A 58 THR N A 8 VAL O 2.66 140.8 137.3 32.0 1.000 -0.139 core.scoring.hbonds.HBondSet: #A 81 VAL N A 9 VAL O 1.76 166.8 144.1 -124.3 1.000 -0.996 core.scoring.hbonds.HBondSet: #A 9 VAL N A 79 LEU O 1.98 138.4 151.4 57.5 1.000 -0.592 core.scoring.hbonds.HBondSet: #A 14 VAL N A 11 ALA O 1.88 154.8 146.6 -154.7 1.000 -1.324 core.scoring.hbonds.HBondSet: #A 117 LYS NZ A 13 GLY O 2.09 158.9 168.0 43.3 0.929 -0.307 core.scoring.hbonds.HBondSet: #A 116 ASN ND2A 14 VAL O 2.17 167.3 134.9 147.9 1.000 -1.433 core.scoring.hbonds.HBondSet: #A 19 LEU N A 15 GLY O 1.86 152.2 155.7 -122.2 1.000 -0.811 core.scoring.hbonds.HBondSet: #A 20 THR N A 16 LYS O 1.90 177.7 161.6 -167.9 1.000 -1.327 core.scoring.hbonds.HBondSet: #A 21 ILE N A 17 SER O 1.81 151.9 161.2 83.6 1.000 -0.613 core.scoring.hbonds.HBondSet: #A 17 SER OG A 57 ASP OD2 1.82 126.8 115.0 -166.4 1.000 -0.827 core.scoring.hbonds.HBondSet: #A 22 GLN N A 18 ALA O 2.31 140.8 122.1 -104.6 1.000 -0.323 core.scoring.hbonds.HBondSet: #A 23 LEU N A 19 LEU O 2.28 137.6 137.1 -174.9 1.000 -1.131 core.scoring.hbonds.HBondSet: #A 23 LEU N A 20 THR O 1.97 123.1 112.5 -78.8 1.000 -0.055 core.scoring.hbonds.HBondSet: #A 24 ILE N A 20 THR O 2.08 160.5 165.8 117.0 1.000 -0.979 core.scoring.hbonds.HBondSet: #A 25 GLN N A 21 ILE O 2.24 105.4 127.6 -17.1 1.000 -0.432 core.scoring.hbonds.HBondSet: #A 149 ARG NH2A 22 GLN O 1.69 156.8 124.3 126.5 0.859 -0.895 core.scoring.hbonds.HBondSet: #A 30 ASP N A 31 GLU OE2 1.95 148.8 110.5 52.5 0.318 -1.124 core.scoring.hbonds.HBondSet: #A 57 ASP N A 38 ASP O 2.02 149.5 176.9 -58.1 1.000 -0.727 core.scoring.hbonds.HBondSet: #A 40 TYR N A 55 ILE O 2.06 133.0 125.1 62.1 1.000 -0.543 core.scoring.hbonds.HBondSet: #A 55 ILE N A 40 TYR O 1.69 157.5 167.5 -58.5 1.000 -0.451 core.scoring.hbonds.HBondSet: #A 42 LYS N A 53 LEU O 2.02 144.4 129.4 31.9 1.000 -1.371 core.scoring.hbonds.HBondSet: #A 53 LEU N A 42 LYS O 1.74 153.8 165.7 -34.7 1.000 -0.598 core.scoring.hbonds.HBondSet: #A 43 GLN NE2B 141 TYR O 1.70 166.6 150.3 33.2 0.859 -1.175 core.scoring.hbonds.HBondSet: #B 141 TYR N A 43 GLN OE1 2.24 131.2 99.3 -167.7 0.859 -0.219 core.scoring.hbonds.HBondSet: #A 44 VAL N A 51 CYS O 1.71 163.4 149.6 -1.3 1.000 -1.165 core.scoring.hbonds.HBondSet: #A 46 ILE N A 49 GLU O 2.07 141.6 134.8 -34.7 1.000 -1.178 core.scoring.hbonds.HBondSet: #A 49 GLU N A 46 ILE O 2.22 146.3 99.6 95.0 1.000 -0.222 core.scoring.hbonds.HBondSet: #A 161 ARG NH1A 47 ASP OD1 2.30 127.4 91.6 172.3 0.718 -0.063 core.scoring.hbonds.HBondSet: #A 161 ARG NH1A 47 ASP OD2 2.37 163.9 86.4 -172.5 0.718 -0.412 core.scoring.hbonds.HBondSet: #A 164 ARG NH1A 47 ASP OD2 1.48 142.3 122.9 -33.8 0.671 -0.468 core.scoring.hbonds.HBondSet: #A 164 ARG NH2A 47 ASP OD2 1.87 128.8 120.1 73.7 0.671 -0.154 core.scoring.hbonds.HBondSet: #B 169 ARG NH1A 49 GLU OE2 1.85 136.1 126.0 132.0 0.624 -0.645 core.scoring.hbonds.HBondSet: #B 169 ARG NH2A 49 GLU OE2 2.28 126.2 161.1 -104.1 0.624 -0.007 core.scoring.hbonds.HBondSet: #A 58 THR N A 56 LEU O 2.50 117.5 111.9 -148.7 1.000 -0.051 core.scoring.hbonds.HBondSet: #A 65 SER N A 63 GLU OE1 1.63 154.5 118.5 115.9 0.224 -0.884 core.scoring.hbonds.HBondSet: #A 68 ARG NH2A 96 TYR OH 1.81 164.5 113.9 -150.2 0.788 -1.692 core.scoring.hbonds.HBondSet: #A 74 THR OG1A 71 TYR O 2.00 159.3 114.5 -39.3 0.576 -0.378 core.scoring.hbonds.HBondSet: #A 71 TYR N A 72 MET O 2.18 108.7 111.7 7.3 1.000 -0.617 core.scoring.hbonds.HBondSet: #A 75 GLY N A 71 TYR O 1.64 137.5 150.1 -159.0 1.000 -0.191 core.scoring.hbonds.HBondSet: #A 104 LYS NZ A 75 GLY O 1.73 151.1 175.2 27.0 0.788 -0.427 core.scoring.hbonds.HBondSet: #A 112 VAL N A 78 PHE O 2.25 148.8 157.4 173.4 1.000 -0.878 core.scoring.hbonds.HBondSet: #A 78 PHE N A 110 PRO O 2.01 158.7 153.2 -144.4 1.000 -1.242 core.scoring.hbonds.HBondSet: #A 80 CYS N A 112 VAL O 2.27 143.1 149.0 68.7 1.000 -0.434 core.scoring.hbonds.HBondSet: #A 114 VAL N A 80 CYS O 2.23 169.9 156.5 101.6 1.000 -0.960 core.scoring.hbonds.HBondSet: #A 116 ASN N A 82 PHE O 1.76 152.5 166.5 -98.5 1.000 -0.518 core.scoring.hbonds.HBondSet: #A 82 PHE N A 114 VAL O 2.14 145.0 155.1 -96.1 1.000 -0.561 core.scoring.hbonds.HBondSet: #A 86 ASN N A 83 ALA O 2.32 149.5 107.5 -109.9 1.000 -0.454 core.scoring.hbonds.HBondSet: #A 83 ALA N A 89 SER OG 1.92 159.9 113.0 146.0 1.000 -2.159 core.scoring.hbonds.HBondSet: #A 84 ILE N A 116 ASN O 2.25 158.9 161.3 -45.4 1.000 -0.878 core.scoring.hbonds.HBondSet: #A 124 THR N A 84 ILE O 1.65 177.5 159.1 166.1 1.000 -0.788 core.scoring.hbonds.HBondSet: #A 88 LYS N A 86 ASN OD1 1.96 146.5 130.0 -97.6 0.600 -0.800 core.scoring.hbonds.HBondSet: #A 90 PHE N A 86 ASN O 2.39 155.4 153.6 -141.6 1.000 -0.744 core.scoring.hbonds.HBondSet: #A 91 GLU N A 87 THR O 2.43 136.5 134.7 -143.4 1.000 -0.557 core.scoring.hbonds.HBondSet: #A 92 ASP N A 88 LYS O 2.28 145.5 141.1 -118.0 1.000 -0.589 core.scoring.hbonds.HBondSet: #A 96 TYR N A 92 ASP O 2.47 148.2 144.3 139.2 1.000 -0.571 core.scoring.hbonds.HBondSet: #A 95 GLN N A 92 ASP O 1.65 147.8 124.5 -102.5 1.000 -0.067 core.scoring.hbonds.HBondSet: #A 97 ARG N A 93 ILE O 2.13 156.0 164.2 -73.0 1.000 -0.838 core.scoring.hbonds.HBondSet: #A 98 GLU N A 94 HIS O 2.17 155.1 127.3 -111.1 1.000 -0.919 core.scoring.hbonds.HBondSet: #A 99 GLN N A 95 GLN O 2.20 147.3 151.5 -140.0 1.000 -0.869 core.scoring.hbonds.HBondSet: #A 100 ILE N A 96 TYR O 2.07 160.1 159.6 177.7 1.000 -1.238 core.scoring.hbonds.HBondSet: #A 101 LYS N A 97 ARG O 2.17 173.1 164.2 -178.2 1.000 -1.217 core.scoring.hbonds.HBondSet: #A 102 ARG N A 98 GLU O 2.38 139.0 138.2 -136.4 1.000 -0.549 core.scoring.hbonds.HBondSet: #A 103 VAL N A 99 GLN O 1.71 166.8 162.3 -144.5 1.000 -0.762 core.scoring.hbonds.HBondSet: #A 104 LYS N A 100 ILE O 1.67 160.9 170.6 -154.6 1.000 -0.436 core.scoring.hbonds.HBondSet: #A 105 ASP N A 102 ARG O 2.25 143.4 93.6 -86.8 1.000 -0.002 core.scoring.hbonds.HBondSet: #A 108 ASP N A 106 SER OG 1.97 152.0 90.6 86.3 0.365 -1.113 core.scoring.hbonds.HBondSet: #A 113 LEU N A 140 PRO O 1.81 148.3 171.8 67.9 1.000 -0.521 core.scoring.hbonds.HBondSet: #A 142 ILE N A 113 LEU O 1.79 150.9 160.0 151.3 1.000 -0.770 core.scoring.hbonds.HBondSet: #A 115 GLY N A 142 ILE O 2.24 157.4 135.9 129.0 1.000 -1.120 core.scoring.hbonds.HBondSet: #A 144 THR N A 115 GLY O 2.13 162.0 119.4 101.2 1.000 -0.987 core.scoring.hbonds.HBondSet: #A 117 LYS N A 116 ASN OD1 1.85 141.7 101.3 -66.8 1.000 -0.539 core.scoring.hbonds.HBondSet: #A 120 LEU N A 117 LYS O 1.95 172.9 143.4 -107.1 1.000 -1.171 core.scoring.hbonds.HBondSet: #A 117 LYS N A 144 THR O 2.01 106.8 129.9 -132.7 1.000 -0.125 core.scoring.hbonds.HBondSet: #A 118 CYS N A 144 THR O 1.90 170.5 123.4 123.6 1.000 -1.398 core.scoring.hbonds.HBondSet: #A 123 ARG NH1A 143 GLU OE2 1.95 158.1 107.0 -145.0 0.741 -1.215 core.scoring.hbonds.HBondSet: #A 123 ARG NH2A 143 GLU OE1 1.63 171.8 119.9 158.6 0.741 -1.303 core.scoring.hbonds.HBondSet: #A 123 ARG NH1A 125 VAL O 2.02 173.1 148.1 -124.0 0.694 -1.007 core.scoring.hbonds.HBondSet: #A 130 ALA N A 126 GLU O 1.87 158.8 152.0 -177.9 1.000 -1.364 core.scoring.hbonds.HBondSet: #A 132 ASP N A 128 ARG O 2.21 150.7 138.4 -109.6 1.000 -0.724 core.scoring.hbonds.HBondSet: #A 133 LEU N A 129 GLN O 2.28 151.1 146.3 -142.0 1.000 -0.960 core.scoring.hbonds.HBondSet: #A 134 ALA N A 130 ALA O 1.79 166.2 162.7 -178.5 1.000 -1.051 core.scoring.hbonds.HBondSet: #A 135 ARG N A 131 GLN O 1.83 166.3 155.5 -99.9 1.000 -0.923 core.scoring.hbonds.HBondSet: #A 136 SER N A 132 ASP O 1.78 156.7 145.2 -115.7 1.000 -0.779 core.scoring.hbonds.HBondSet: #A 137 TYR N A 133 LEU O 1.92 158.6 154.8 -155.1 1.000 -1.247 core.scoring.hbonds.HBondSet: #A 138 GLY N A 134 ALA O 1.83 121.8 139.0 -163.6 1.000 -0.700 core.scoring.hbonds.HBondSet: #A 139 ILE N A 134 ALA O 2.24 163.7 126.8 83.5 1.000 -0.871 core.scoring.hbonds.HBondSet: #A 141 TYR OH A 143 GLU OE2 1.54 139.3 111.7 0.2 0.953 -1.165 core.scoring.hbonds.HBondSet: #A 141 TYR N C 43 GLN OE1 2.08 161.9 118.7 -172.1 0.835 -2.242 core.scoring.hbonds.HBondSet: #C 43 GLN NE2A 141 TYR O 2.33 146.4 124.9 79.1 0.835 -0.190 core.scoring.hbonds.HBondSet: #A 148 THR N A 145 SER OG 2.05 157.6 137.3 -91.6 0.694 -1.629 core.scoring.hbonds.HBondSet: #A 145 SER N A 150 GLN O 2.02 170.9 150.4 -53.6 1.000 -1.299 core.scoring.hbonds.HBondSet: #A 150 GLN N A 148 THR OG1 2.60 158.2 106.0 37.4 0.553 -0.009 core.scoring.hbonds.HBondSet: #A 152 VAL N A 149 ARG O 2.41 170.1 119.9 -103.6 1.000 -0.718 core.scoring.hbonds.HBondSet: #A 149 ARG NH2A 153 GLU OE2 2.57 140.9 135.9 23.0 0.671 -0.460 core.scoring.hbonds.HBondSet: #A 155 ALA N A 151 GLY O 2.17 152.2 149.8 -130.5 1.000 -0.948 core.scoring.hbonds.HBondSet: #A 156 PHE N A 152 VAL O 2.47 167.0 144.2 -123.9 1.000 -0.728 core.scoring.hbonds.HBondSet: #A 157 TYR N A 153 GLU O 1.72 169.3 166.5 -179.4 1.000 -0.834 core.scoring.hbonds.HBondSet: #A 157 TYR OH A 153 GLU OE1 2.17 146.9 99.0 117.3 0.765 -0.012 core.scoring.hbonds.HBondSet: #A 158 THR N A 154 ASP O 1.89 147.3 139.5 -98.2 1.000 -0.633 core.scoring.hbonds.HBondSet: #A 159 LEU N A 155 ALA O 2.17 148.5 137.9 -132.2 1.000 -1.027 core.scoring.hbonds.HBondSet: #A 160 VAL N A 156 PHE O 2.05 159.9 143.0 -132.0 1.000 -1.295 core.scoring.hbonds.HBondSet: #A 161 ARG N A 157 TYR O 1.81 160.4 153.3 -118.9 1.000 -0.892 core.scoring.hbonds.HBondSet: #A 162 GLU N A 158 THR O 2.08 152.2 148.4 -125.7 1.000 -0.984 core.scoring.hbonds.HBondSet: #A 163 ILE N A 159 LEU O 2.04 159.2 154.3 -135.6 1.000 -1.160 core.scoring.hbonds.HBondSet: #A 164 ARG N A 160 VAL O 1.82 170.5 164.7 -100.1 1.000 -0.943 core.scoring.hbonds.HBondSet: #A 165 GLN N A 161 ARG O 1.77 162.3 145.7 -126.0 1.000 -0.962 core.scoring.hbonds.HBondSet: #C 1 MET N A 162 GLU OE2 1.52 173.9 111.2 -150.8 0.859 -1.532 core.scoring.hbonds.HBondSet: #A 166 HIS N A 162 GLU O 1.67 153.5 143.8 -117.4 1.000 -0.382 core.scoring.hbonds.HBondSet: #A 167 LYS N A 163 ILE O 1.81 160.2 169.3 -164.8 1.000 -0.852 core.scoring.hbonds.HBondSet: #C 1 MET N A 165 GLN OE1 1.68 168.3 116.6 -140.8 0.694 -1.841 core.scoring.hbonds.HBondSet: #A 168 LEU N A 165 GLN O 2.16 161.1 119.3 -109.5 1.000 -1.021 core.scoring.hbonds.HBondSet: #A 169 ARG N A 167 LYS O 2.09 119.4 111.3 -127.2 1.000 -0.278 core.scoring.hbonds.HBondSet: #A 169 ARG N A 171 LEU O 2.31 134.6 103.8 72.2 1.000 -0.014 core.scoring.hbonds.HBondSet: #B 1 MET N D 162 GLU OE2 1.78 162.3 101.4 -153.1 0.953 -1.514 core.scoring.hbonds.HBondSet: #B 1 MET N D 165 GLN OE1 2.24 168.6 123.5 -111.6 0.741 -0.769 core.scoring.hbonds.HBondSet: #B 52 LEU N B 2 THR O 1.61 169.6 162.9 148.4 1.000 -0.412 core.scoring.hbonds.HBondSet: #B 2 THR N B 50 THR O 2.03 162.9 155.5 -160.6 1.000 -1.366 core.scoring.hbonds.HBondSet: #B 4 TYR N B 52 LEU O 1.80 164.8 167.3 95.8 1.000 -0.828 core.scoring.hbonds.HBondSet: #B 54 ASP N B 4 TYR O 1.94 154.4 155.9 57.8 1.000 -0.931 core.scoring.hbonds.HBondSet: #B 4 TYR OH B 49 GLU OE1 1.84 151.6 105.5 143.8 0.812 -0.974 core.scoring.hbonds.HBondSet: #B 5 LYS N B 76 GLU OE1 1.53 174.9 152.7 -34.8 0.765 -1.099 core.scoring.hbonds.HBondSet: #B 76 GLU N B 5 LYS O 1.69 161.1 146.8 -26.4 1.000 -1.018 core.scoring.hbonds.HBondSet: #B 77 GLY N B 5 LYS O 2.40 143.5 155.6 146.2 1.000 -0.432 core.scoring.hbonds.HBondSet: #B 6 LEU N B 54 ASP O 2.00 144.1 139.4 96.3 1.000 -0.600 core.scoring.hbonds.HBondSet: #B 56 LEU N B 6 LEU O 1.66 162.8 157.9 174.1 1.000 -0.718 core.scoring.hbonds.HBondSet: #B 79 LEU N B 7 VAL O 1.74 157.3 152.8 147.5 1.000 -0.891 core.scoring.hbonds.HBondSet: #B 7 VAL N B 77 GLY O 2.02 174.4 161.6 166.4 1.000 -1.357 core.scoring.hbonds.HBondSet: #B 58 THR N B 8 VAL O 2.72 146.2 149.3 -11.1 1.000 -0.011 core.scoring.hbonds.HBondSet: #B 8 VAL N B 56 LEU O 1.97 177.7 162.1 69.5 1.000 -1.162 core.scoring.hbonds.HBondSet: #B 9 VAL N B 79 LEU O 1.99 152.6 143.2 57.5 1.000 -1.020 core.scoring.hbonds.HBondSet: #B 81 VAL N B 9 VAL O 1.91 177.5 153.5 -123.6 1.000 -1.243 core.scoring.hbonds.HBondSet: #B 14 VAL N B 11 ALA O 2.39 160.5 137.3 -127.2 1.000 -0.898 core.scoring.hbonds.HBondSet: #B 19 LEU N B 15 GLY O 1.91 147.7 148.4 -139.0 1.000 -0.998 core.scoring.hbonds.HBondSet: #B 20 THR N B 16 LYS O 1.82 178.0 165.1 -147.9 1.000 -1.102 core.scoring.hbonds.HBondSet: #B 21 ILE N B 17 SER O 1.94 143.6 134.8 -118.0 1.000 -0.775 core.scoring.hbonds.HBondSet: #B 17 SER OG B 57 ASP OD2 2.05 111.8 116.7 177.1 1.000 -0.366 core.scoring.hbonds.HBondSet: #B 22 GLN N B 18 ALA O 1.97 153.3 145.9 -100.8 1.000 -0.831 core.scoring.hbonds.HBondSet: #B 23 LEU N B 19 LEU O 2.30 169.7 154.3 -159.7 1.000 -1.230 core.scoring.hbonds.HBondSet: #B 24 ILE N B 20 THR O 2.14 171.9 143.2 -132.6 1.000 -1.403 core.scoring.hbonds.HBondSet: #B 25 GLN N B 21 ILE O 1.99 147.2 133.1 -81.7 1.000 -0.687 core.scoring.hbonds.HBondSet: #B 26 ASN N B 21 ILE O 2.58 123.3 138.4 -158.7 1.000 -0.044 core.scoring.hbonds.HBondSet: #B 26 ASN N B 22 GLN O 1.79 133.6 118.3 -62.9 1.000 -0.337 core.scoring.hbonds.HBondSet: #B 38 ASP N B 57 ASP O 1.85 160.4 146.8 -3.4 1.000 -1.515 core.scoring.hbonds.HBondSet: #B 57 ASP N B 38 ASP O 1.89 149.2 160.7 -105.2 1.000 -0.676 core.scoring.hbonds.HBondSet: #B 40 TYR N B 55 ILE O 2.11 143.2 150.5 52.1 1.000 -0.744 core.scoring.hbonds.HBondSet: #B 55 ILE N B 40 TYR O 2.12 137.4 137.0 -91.8 1.000 -0.380 core.scoring.hbonds.HBondSet: #B 42 LYS N B 53 LEU O 1.91 134.3 138.2 49.9 1.000 -0.670 core.scoring.hbonds.HBondSet: #B 44 VAL N B 51 CYS O 1.91 173.0 163.2 -19.0 1.000 -1.262 core.scoring.hbonds.HBondSet: #B 51 CYS N B 44 VAL O 1.70 159.6 163.0 112.3 1.000 -0.521 core.scoring.hbonds.HBondSet: #B 46 ILE N B 49 GLU O 1.89 149.1 141.5 15.9 1.000 -1.413 core.scoring.hbonds.HBondSet: #B 164 ARG NH2B 46 ILE O 1.91 143.8 123.3 -75.0 0.835 -0.513 core.scoring.hbonds.HBondSet: #B 161 ARG NH1B 47 ASP OD2 2.06 128.7 100.1 -167.7 0.718 -0.614 core.scoring.hbonds.HBondSet: #B 161 ARG NH1B 47 ASP OD1 1.97 118.9 114.3 145.6 0.718 -0.498 core.scoring.hbonds.HBondSet: #B 164 ARG NH1B 47 ASP OD2 1.52 144.2 128.2 -31.0 0.741 -0.595 core.scoring.hbonds.HBondSet: #B 164 ARG NE B 49 GLU OE1 2.22 142.9 142.9 -117.5 0.788 -0.542 core.scoring.hbonds.HBondSet: #B 164 ARG NH2B 49 GLU OE1 2.04 151.6 123.3 -27.3 0.788 -1.398 core.scoring.hbonds.HBondSet: #B 63 GLU N B 62 GLU OE2 2.31 142.0 107.1 -34.1 0.341 -0.378 core.scoring.hbonds.HBondSet: #B 68 ARG N B 64 TYR O 2.21 159.0 142.6 -170.1 1.000 -1.568 core.scoring.hbonds.HBondSet: #B 66 ALA N B 68 ARG O 2.47 136.1 106.6 33.2 1.000 -0.418 core.scoring.hbonds.HBondSet: #B 69 ASP N B 67 MET O 1.74 106.9 117.0 -154.2 1.000 -0.195 core.scoring.hbonds.HBondSet: #B 70 GLN N B 67 MET O 1.98 119.6 120.4 -45.6 1.000 -0.524 core.scoring.hbonds.HBondSet: #B 71 TYR N B 67 MET O 2.16 162.9 149.0 67.5 1.000 -1.022 core.scoring.hbonds.HBondSet: #B 73 ARG N B 69 ASP O 2.51 126.5 117.9 -129.1 1.000 -0.007 core.scoring.hbonds.HBondSet: #B 73 ARG NH2B 69 ASP OD1 2.57 139.8 133.2 -39.3 0.459 -0.260 core.scoring.hbonds.HBondSet: #B 74 THR N B 70 GLN O 2.49 146.7 125.7 -106.1 1.000 -0.149 core.scoring.hbonds.HBondSet: #B 75 GLY N B 71 TYR O 1.87 145.5 145.5 -114.3 1.000 -0.663 core.scoring.hbonds.HBondSet: #B 112 VAL N B 78 PHE O 2.16 146.2 176.3 179.0 1.000 -0.584 core.scoring.hbonds.HBondSet: #B 78 PHE N B 110 PRO O 2.04 158.2 134.9 -140.7 1.000 -1.502 core.scoring.hbonds.HBondSet: #B 114 VAL N B 80 CYS O 1.97 165.7 143.0 81.3 1.000 -1.057 core.scoring.hbonds.HBondSet: #B 80 CYS N B 112 VAL O 1.96 160.5 171.4 -82.6 1.000 -0.954 core.scoring.hbonds.HBondSet: #B 116 ASN N B 82 PHE O 2.01 161.1 144.6 -120.6 1.000 -1.162 core.scoring.hbonds.HBondSet: #B 86 ASN N B 83 ALA O 1.81 161.3 117.4 -107.2 1.000 -0.888 core.scoring.hbonds.HBondSet: #B 83 ALA N B 89 SER OG 1.96 171.4 124.8 149.0 1.000 -2.326 core.scoring.hbonds.HBondSet: #B 84 ILE N B 116 ASN O 1.99 170.8 165.9 28.4 1.000 -1.215 core.scoring.hbonds.HBondSet: #B 124 THR N B 84 ILE O 2.25 143.4 147.0 -164.4 1.000 -1.010 core.scoring.hbonds.HBondSet: #B 89 SER N B 86 ASN OD1 1.35 169.0 136.5 -89.4 0.929 -0.473 core.scoring.hbonds.HBondSet: #B 90 PHE N B 86 ASN O 2.39 149.6 128.9 -139.9 1.000 -0.954 core.scoring.hbonds.HBondSet: #B 87 THR OG1B 124 THR OG1 1.94 120.7 134.4 95.7 0.576 -0.105 core.scoring.hbonds.HBondSet: #B 91 GLU N B 87 THR O 1.86 159.4 146.8 -126.5 1.000 -1.080 core.scoring.hbonds.HBondSet: #B 92 ASP N B 88 LYS O 2.02 132.2 148.3 -133.4 1.000 -0.579 core.scoring.hbonds.HBondSet: #B 96 TYR N B 92 ASP O 2.17 155.0 146.9 149.5 1.000 -1.263 core.scoring.hbonds.HBondSet: #B 97 ARG N B 93 ILE O 2.00 161.9 151.3 -100.5 1.000 -1.005 core.scoring.hbonds.HBondSet: #B 98 GLU N B 94 HIS O 2.09 144.5 133.0 -121.8 1.000 -0.859 core.scoring.hbonds.HBondSet: #B 99 GLN N B 95 GLN O 1.75 174.2 171.9 -172.4 1.000 -0.848 core.scoring.hbonds.HBondSet: #B 100 ILE N B 96 TYR O 1.99 154.7 141.5 -129.9 1.000 -1.183 core.scoring.hbonds.HBondSet: #B 97 ARG NH1B 98 GLU OE1 2.08 102.1 136.3 167.3 0.600 -0.281 core.scoring.hbonds.HBondSet: #B 101 LYS N B 97 ARG O 2.20 169.3 146.3 -103.0 1.000 -1.010 core.scoring.hbonds.HBondSet: #B 102 ARG N B 98 GLU O 2.10 155.0 157.1 -125.1 1.000 -0.944 core.scoring.hbonds.HBondSet: #B 103 VAL N B 99 GLN O 2.07 144.8 153.9 -148.4 1.000 -0.924 core.scoring.hbonds.HBondSet: #B 104 LYS N B 101 LYS O 2.32 156.3 98.4 -104.6 1.000 -0.333 core.scoring.hbonds.HBondSet: #B 105 ASP N B 101 LYS O 1.87 114.7 134.2 -113.9 1.000 -0.001 core.scoring.hbonds.HBondSet: #B 106 SER N B 104 LYS O 2.12 146.8 90.6 135.1 1.000 -0.382 core.scoring.hbonds.HBondSet: #B 142 ILE N B 113 LEU O 2.29 151.5 148.5 168.3 1.000 -1.122 core.scoring.hbonds.HBondSet: #B 113 LEU N B 140 PRO O 2.26 166.9 142.6 -106.9 1.000 -0.939 core.scoring.hbonds.HBondSet: #B 115 GLY N B 142 ILE O 1.89 175.4 163.3 115.9 1.000 -1.115 core.scoring.hbonds.HBondSet: #B 144 THR N B 115 GLY O 1.82 166.4 143.8 108.2 1.000 -0.975 core.scoring.hbonds.HBondSet: #B 116 ASN ND2B 144 THR OG1 2.11 151.9 114.3 74.4 1.000 -1.625 core.scoring.hbonds.HBondSet: #B 120 LEU N B 117 LYS O 1.61 160.9 146.4 -148.9 1.000 -0.638 core.scoring.hbonds.HBondSet: #B 118 CYS N B 144 THR O 2.26 149.6 158.9 128.3 1.000 -0.664 core.scoring.hbonds.HBondSet: #B 122 ALA N B 120 LEU O 2.39 118.6 115.2 -135.1 1.000 -0.091 core.scoring.hbonds.HBondSet: #B 123 ARG NE B 125 VAL O 1.27 158.8 151.8 151.1 0.859 -0.468 core.scoring.hbonds.HBondSet: #B 123 ARG NH1B 143 GLU OE1 2.43 152.6 131.2 154.5 0.835 -1.002 core.scoring.hbonds.HBondSet: #B 123 ARG NH2B 143 GLU OE2 2.05 144.9 97.4 -150.9 0.835 -0.765 core.scoring.hbonds.HBondSet: #B 130 ALA N B 126 GLU O 2.05 144.5 148.6 -178.6 1.000 -1.206 core.scoring.hbonds.HBondSet: #B 126 GLU N B 129 GLN OE1 1.82 136.4 92.4 58.0 0.482 -0.121 core.scoring.hbonds.HBondSet: #B 129 GLN N B 126 GLU O 2.06 119.8 113.4 -80.2 1.000 -0.010 core.scoring.hbonds.HBondSet: #B 128 ARG NH2B 127 SER OG 1.74 118.8 110.7 98.3 0.435 -0.082 core.scoring.hbonds.HBondSet: #B 130 ALA N B 127 SER O 1.83 123.3 115.7 -86.8 1.000 -0.001 core.scoring.hbonds.HBondSet: #B 131 GLN N B 127 SER O 1.62 168.0 152.9 134.3 1.000 -0.522 core.scoring.hbonds.HBondSet: #B 132 ASP N B 128 ARG O 1.71 157.8 144.0 -118.8 1.000 -0.662 core.scoring.hbonds.HBondSet: #B 133 LEU N B 129 GLN O 2.33 152.8 121.1 -102.2 1.000 -0.556 core.scoring.hbonds.HBondSet: #B 134 ALA N B 130 ALA O 1.84 166.9 159.5 -175.0 1.000 -1.226 core.scoring.hbonds.HBondSet: #B 135 ARG N B 131 GLN O 1.92 146.8 146.1 -91.4 1.000 -0.623 core.scoring.hbonds.HBondSet: #B 136 SER N B 132 ASP O 2.11 155.5 152.5 -172.9 1.000 -1.320 core.scoring.hbonds.HBondSet: #B 137 TYR N B 133 LEU O 2.17 133.9 144.9 -123.0 1.000 -0.463 core.scoring.hbonds.HBondSet: #B 138 GLY N B 134 ALA O 1.85 135.9 139.4 -133.7 1.000 -0.690 core.scoring.hbonds.HBondSet: #B 139 ILE N B 134 ALA O 1.78 172.1 146.2 58.4 1.000 -1.059 core.scoring.hbonds.HBondSet: #B 141 TYR OH B 143 GLU OE2 1.30 169.7 124.0 -22.7 0.953 -1.194 core.scoring.hbonds.HBondSet: #B 149 ARG N B 145 SER O 1.85 110.9 146.3 -130.1 1.000 -0.001 core.scoring.hbonds.HBondSet: #B 148 THR N B 145 SER OG 2.10 165.0 108.1 -79.1 0.694 -2.084 core.scoring.hbonds.HBondSet: #B 145 SER N B 150 GLN O 1.80 163.2 158.2 -5.1 1.000 -1.148 core.scoring.hbonds.HBondSet: #B 150 GLN N B 148 THR OG1 2.31 163.9 114.4 48.9 0.576 -1.417 core.scoring.hbonds.HBondSet: #B 152 VAL N B 149 ARG O 2.57 162.8 114.6 -116.9 1.000 -0.414 core.scoring.hbonds.HBondSet: #B 155 ALA N B 151 GLY O 1.98 152.5 142.8 -118.1 1.000 -0.965 core.scoring.hbonds.HBondSet: #B 156 PHE N B 152 VAL O 2.52 168.0 149.9 -128.4 1.000 -0.636 core.scoring.hbonds.HBondSet: #B 157 TYR N B 153 GLU O 2.01 159.5 148.4 -101.6 1.000 -0.968 core.scoring.hbonds.HBondSet: #B 158 THR N B 154 ASP O 1.96 151.7 136.5 -81.7 1.000 -0.789 core.scoring.hbonds.HBondSet: #B 159 LEU N B 155 ALA O 2.49 137.7 130.1 -132.6 1.000 -0.327 core.scoring.hbonds.HBondSet: #B 160 VAL N B 156 PHE O 2.28 136.6 138.3 -137.9 1.000 -0.671 core.scoring.hbonds.HBondSet: #B 161 ARG N B 157 TYR O 2.05 160.9 147.4 -145.4 1.000 -1.405 core.scoring.hbonds.HBondSet: #B 162 GLU N B 158 THR O 1.98 142.2 135.1 -129.6 1.000 -0.935 core.scoring.hbonds.HBondSet: #B 163 ILE N B 159 LEU O 2.27 145.9 130.6 -115.9 1.000 -0.628 core.scoring.hbonds.HBondSet: #B 164 ARG N B 160 VAL O 1.87 170.6 168.8 -122.1 1.000 -1.038 core.scoring.hbonds.HBondSet: #B 165 GLN N B 161 ARG O 1.97 158.8 148.5 -96.5 1.000 -0.933 core.scoring.hbonds.HBondSet: #B 166 HIS N B 162 GLU O 2.15 141.4 126.0 -121.4 1.000 -0.756 core.scoring.hbonds.HBondSet: #B 167 LYS N B 163 ILE O 2.28 116.2 139.1 -144.3 1.000 -0.241 core.scoring.hbonds.HBondSet: #B 167 LYS N B 164 ARG O 2.22 148.2 99.2 -95.0 1.000 -0.254 core.scoring.hbonds.HBondSet: #B 168 LEU N B 165 GLN O 2.06 156.0 105.9 -96.2 1.000 -0.731 core.scoring.hbonds.HBondSet: #B 165 GLN NE2B 169 ARG O 2.02 154.2 163.2 -90.6 0.600 -0.731 core.scoring.hbonds.HBondSet: #C 2 THR N C 50 THR O 1.72 154.1 148.6 160.0 1.000 -0.980 core.scoring.hbonds.HBondSet: #C 52 LEU N C 2 THR O 1.55 161.2 156.3 126.4 1.000 -0.001 core.scoring.hbonds.HBondSet: #C 4 TYR OH C 49 GLU OE1 1.43 137.8 91.5 160.8 0.859 -0.322 core.scoring.hbonds.HBondSet: #C 4 TYR N C 52 LEU O 2.12 158.0 146.8 110.8 1.000 -0.956 core.scoring.hbonds.HBondSet: #C 54 ASP N C 4 TYR O 2.02 153.2 152.3 86.2 1.000 -0.814 core.scoring.hbonds.HBondSet: #C 5 LYS N C 76 GLU OE1 1.63 176.7 141.4 -69.2 0.718 -1.026 core.scoring.hbonds.HBondSet: #C 76 GLU N C 5 LYS O 1.69 153.2 142.2 -29.9 1.000 -0.922 core.scoring.hbonds.HBondSet: #C 77 GLY N C 5 LYS O 2.17 159.7 146.5 136.1 1.000 -1.218 core.scoring.hbonds.HBondSet: #C 6 LEU N C 54 ASP O 2.32 137.6 138.1 85.2 1.000 -0.152 core.scoring.hbonds.HBondSet: #C 56 LEU N C 6 LEU O 1.75 173.5 163.1 -159.7 1.000 -0.981 core.scoring.hbonds.HBondSet: #C 7 VAL N C 77 GLY O 2.04 157.7 156.7 -176.3 1.000 -1.280 core.scoring.hbonds.HBondSet: #C 79 LEU N C 7 VAL O 2.04 161.1 151.4 106.5 1.000 -1.011 core.scoring.hbonds.HBondSet: #C 8 VAL N C 56 LEU O 1.70 168.1 175.5 -29.1 1.000 -0.633 core.scoring.hbonds.HBondSet: #C 58 THR N C 8 VAL O 2.51 149.3 152.2 -34.7 1.000 -0.419 core.scoring.hbonds.HBondSet: #C 81 VAL N C 9 VAL O 1.97 169.4 138.7 -95.1 1.000 -1.087 core.scoring.hbonds.HBondSet: #C 9 VAL N C 79 LEU O 1.99 163.0 158.5 69.8 1.000 -1.041 core.scoring.hbonds.HBondSet: #C 14 VAL N C 11 ALA O 2.53 152.2 138.8 -142.7 1.000 -0.663 core.scoring.hbonds.HBondSet: #C 116 ASN ND2C 14 VAL O 1.82 167.4 146.4 -179.9 1.000 -1.537 core.scoring.hbonds.HBondSet: #C 20 THR N C 16 LYS O 1.99 167.4 144.5 -123.1 1.000 -1.282 core.scoring.hbonds.HBondSet: #C 21 ILE N C 17 SER O 1.82 165.5 158.8 -113.3 1.000 -0.929 core.scoring.hbonds.HBondSet: #C 22 GLN N C 18 ALA O 2.38 136.0 129.7 -113.7 1.000 -0.171 core.scoring.hbonds.HBondSet: #C 23 LEU N C 19 LEU O 2.36 161.8 147.0 -120.0 1.000 -0.796 core.scoring.hbonds.HBondSet: #C 24 ILE N C 20 THR O 2.00 166.6 151.1 -111.1 1.000 -1.125 core.scoring.hbonds.HBondSet: #C 25 GLN N C 21 ILE O 1.72 154.7 129.3 -67.1 1.000 -0.607 core.scoring.hbonds.HBondSet: #C 26 ASN N C 21 ILE O 2.57 119.1 135.6 -156.2 1.000 -0.015 core.scoring.hbonds.HBondSet: #C 26 ASN N C 22 GLN O 1.79 133.4 103.5 -60.3 1.000 -0.147 core.scoring.hbonds.HBondSet: #C 22 GLN NE2C 146 ALA O 1.63 154.0 167.5 -163.7 1.000 -0.645 core.scoring.hbonds.HBondSet: #C 149 ARG NE C 22 GLN O 2.21 140.1 113.0 69.0 0.812 -0.272 core.scoring.hbonds.HBondSet: #C 149 ARG NH2C 22 GLN O 1.88 151.2 126.3 147.7 0.812 -1.210 core.scoring.hbonds.HBondSet: #C 42 LYS NZ C 23 LEU O 1.67 132.9 144.5 165.1 0.812 -0.372 core.scoring.hbonds.HBondSet: #C 27 HIS NE2C 25 GLN OE1 1.52 162.8 154.3 6.2 0.435 -1.662 core.scoring.hbonds.HBondSet: #C 38 ASP N C 57 ASP O 2.03 155.3 145.6 -28.1 1.000 -1.404 core.scoring.hbonds.HBondSet: #C 57 ASP N C 38 ASP O 1.79 175.4 159.9 -62.4 1.000 -0.987 core.scoring.hbonds.HBondSet: #C 41 ARG NE C 40 TYR O 1.84 155.4 116.2 116.0 0.671 -0.817 core.scoring.hbonds.HBondSet: #C 40 TYR N C 55 ILE O 2.07 139.9 138.2 60.9 1.000 -0.682 core.scoring.hbonds.HBondSet: #C 55 ILE N C 40 TYR O 2.01 140.2 128.7 -92.3 1.000 -0.492 core.scoring.hbonds.HBondSet: #C 42 LYS N C 53 LEU O 1.92 154.7 134.6 29.2 1.000 -1.568 core.scoring.hbonds.HBondSet: #C 53 LEU N C 42 LYS O 1.68 151.6 151.7 111.2 1.000 -0.308 core.scoring.hbonds.HBondSet: #C 44 VAL N C 51 CYS O 1.85 164.6 152.3 -11.9 1.000 -1.400 core.scoring.hbonds.HBondSet: #C 51 CYS N C 44 VAL O 1.80 154.4 157.7 -123.0 1.000 -0.742 core.scoring.hbonds.HBondSet: #C 46 ILE N C 49 GLU O 1.67 145.0 151.1 -29.9 1.000 -0.420 core.scoring.hbonds.HBondSet: #C 161 ARG NE C 47 ASP OD2 1.79 167.7 111.2 -154.9 0.741 -1.399 core.scoring.hbonds.HBondSet: #C 161 ARG NH2C 47 ASP OD1 1.31 152.2 114.3 134.3 0.741 -0.155 core.scoring.hbonds.HBondSet: #C 164 ARG NH1C 47 ASP OD2 1.79 144.3 119.0 -34.0 0.694 -1.005 core.scoring.hbonds.HBondSet: #C 164 ARG NE C 49 GLU OE1 2.09 148.3 123.1 -106.5 0.765 -0.680 core.scoring.hbonds.HBondSet: #C 164 ARG NH2C 49 GLU OE1 1.98 150.7 130.9 -21.0 0.765 -1.389 core.scoring.hbonds.HBondSet: #C 64 TYR N C 61 GLN O 2.09 163.3 134.6 -104.2 1.000 -1.046 core.scoring.hbonds.HBondSet: #C 67 MET N C 64 TYR O 2.24 163.1 120.2 -110.8 1.000 -0.992 core.scoring.hbonds.HBondSet: #C 68 ARG N C 65 SER O 2.45 162.1 114.3 -110.9 1.000 -0.588 core.scoring.hbonds.HBondSet: #C 71 TYR N C 67 MET O 2.78 160.9 130.8 -139.3 1.000 -0.124 core.scoring.hbonds.HBondSet: #C 72 MET N C 68 ARG O 1.90 156.3 161.6 -113.6 1.000 -0.867 core.scoring.hbonds.HBondSet: #C 68 ARG NH1C 99 GLN OE1 2.34 152.0 138.5 126.6 0.718 -0.553 core.scoring.hbonds.HBondSet: #C 73 ARG N C 69 ASP O 2.24 126.8 126.8 -125.2 1.000 -0.354 core.scoring.hbonds.HBondSet: #C 74 THR N C 70 GLN O 2.31 145.5 139.3 -134.5 1.000 -0.795 core.scoring.hbonds.HBondSet: #C 75 GLY N C 71 TYR O 2.01 145.7 143.8 -113.0 1.000 -0.744 core.scoring.hbonds.HBondSet: #C 78 PHE N C 110 PRO O 1.89 171.1 154.0 -133.0 1.000 -1.258 core.scoring.hbonds.HBondSet: #C 112 VAL N C 78 PHE O 2.26 137.9 153.6 -177.7 1.000 -0.706 core.scoring.hbonds.HBondSet: #C 114 VAL N C 80 CYS O 1.86 155.0 164.5 88.3 1.000 -0.760 core.scoring.hbonds.HBondSet: #C 80 CYS N C 112 VAL O 1.88 162.1 169.5 2.0 1.000 -1.001 core.scoring.hbonds.HBondSet: #C 82 PHE N C 114 VAL O 1.97 151.0 151.7 -114.5 1.000 -0.844 core.scoring.hbonds.HBondSet: #C 116 ASN N C 82 PHE O 1.73 153.8 170.9 -52.7 1.000 -0.479 core.scoring.hbonds.HBondSet: #C 86 ASN N C 83 ALA O 2.10 150.9 123.3 -107.8 1.000 -0.837 core.scoring.hbonds.HBondSet: #C 83 ALA N C 89 SER OG 2.04 170.4 133.9 145.8 1.000 -2.012 core.scoring.hbonds.HBondSet: #C 84 ILE N C 116 ASN O 1.95 159.3 172.6 -73.4 1.000 -0.931 core.scoring.hbonds.HBondSet: #C 124 THR N C 84 ILE O 1.76 153.0 166.8 -131.8 1.000 -0.587 core.scoring.hbonds.HBondSet: #C 125 VAL N C 84 ILE O 2.53 164.3 138.7 -65.9 1.000 -0.489 core.scoring.hbonds.HBondSet: #C 89 SER N C 86 ASN O 2.24 126.7 121.2 -94.4 1.000 -0.018 core.scoring.hbonds.HBondSet: #C 89 SER N C 86 ASN OD1 2.15 151.2 132.2 -37.0 0.976 -1.308 core.scoring.hbonds.HBondSet: #C 90 PHE N C 86 ASN O 2.49 148.3 136.9 172.5 1.000 -1.021 core.scoring.hbonds.HBondSet: #C 91 GLU N C 87 THR O 1.73 168.1 160.6 -136.9 1.000 -0.842 core.scoring.hbonds.HBondSet: #C 92 ASP N C 88 LYS O 1.77 142.1 145.1 -143.0 1.000 -0.721 core.scoring.hbonds.HBondSet: #C 93 ILE N C 89 SER O 2.27 134.8 151.0 -133.2 1.000 -0.401 core.scoring.hbonds.HBondSet: #C 95 GLN N C 92 ASP O 2.18 123.3 117.3 -80.6 1.000 -0.020 core.scoring.hbonds.HBondSet: #C 96 TYR N C 92 ASP O 2.15 160.9 154.3 168.7 1.000 -1.329 core.scoring.hbonds.HBondSet: #C 97 ARG N C 93 ILE O 1.67 175.6 168.1 -141.3 1.000 -0.605 core.scoring.hbonds.HBondSet: #C 98 GLU N C 94 HIS O 2.15 153.5 139.2 -126.1 1.000 -1.058 core.scoring.hbonds.HBondSet: #C 99 GLN N C 95 GLN O 2.33 146.1 145.4 -117.0 1.000 -0.482 core.scoring.hbonds.HBondSet: #C 100 ILE N C 96 TYR O 2.09 167.1 158.5 -150.8 1.000 -1.289 core.scoring.hbonds.HBondSet: #C 101 LYS N C 97 ARG O 2.11 163.6 148.7 -126.8 1.000 -1.199 core.scoring.hbonds.HBondSet: #C 102 ARG N C 98 GLU O 2.14 156.4 133.1 -120.4 1.000 -1.083 core.scoring.hbonds.HBondSet: #C 103 VAL N C 99 GLN O 1.77 170.6 155.8 -107.8 1.000 -0.867 core.scoring.hbonds.HBondSet: #C 104 LYS N C 100 ILE O 1.74 161.0 159.6 -109.4 1.000 -0.667 core.scoring.hbonds.HBondSet: #C 106 SER N C 101 LYS O 2.41 142.0 129.0 1.7 1.000 -1.169 core.scoring.hbonds.HBondSet: #C 102 ARG NH2C 105 ASP OD1 2.37 145.4 152.0 -158.6 0.318 -0.641 core.scoring.hbonds.HBondSet: #C 108 ASP N C 106 SER OG 2.22 135.0 142.4 -10.1 0.482 -0.020 core.scoring.hbonds.HBondSet: #C 169 ARG NH1C 108 ASP OD2 1.70 129.9 173.3 -0.5 0.412 -0.001 core.scoring.hbonds.HBondSet: #C 142 ILE N C 113 LEU O 1.88 166.1 166.9 171.9 1.000 -1.104 core.scoring.hbonds.HBondSet: #C 113 LEU N C 140 PRO O 1.93 164.7 144.6 -108.0 1.000 -1.073 core.scoring.hbonds.HBondSet: #C 115 GLY N C 142 ILE O 2.04 164.1 154.8 175.7 1.000 -1.446 core.scoring.hbonds.HBondSet: #C 144 THR N C 115 GLY O 2.02 173.4 137.2 103.8 1.000 -1.173 core.scoring.hbonds.HBondSet: #C 120 LEU N C 117 LYS O 1.80 177.0 133.7 -108.6 1.000 -1.051 core.scoring.hbonds.HBondSet: #C 118 CYS N C 144 THR O 1.85 163.3 151.8 126.7 1.000 -1.091 core.scoring.hbonds.HBondSet: #C 123 ARG NH1C 143 GLU OE1 2.17 169.7 110.4 151.0 0.765 -1.461 core.scoring.hbonds.HBondSet: #C 123 ARG NH2C 143 GLU OE2 1.91 161.0 121.8 -138.6 0.765 -1.288 core.scoring.hbonds.HBondSet: #C 123 ARG NE C 125 VAL O 2.03 131.2 124.9 118.0 0.718 -0.374 core.scoring.hbonds.HBondSet: #C 123 ARG NH2C 125 VAL O 1.68 140.4 134.2 -140.9 0.718 -0.735 core.scoring.hbonds.HBondSet: #C 130 ALA N C 126 GLU O 2.53 165.6 156.0 -159.6 1.000 -0.707 core.scoring.hbonds.HBondSet: #C 131 GLN N C 127 SER O 1.87 164.3 151.0 -110.2 1.000 -1.010 core.scoring.hbonds.HBondSet: #C 132 ASP N C 128 ARG O 2.01 146.5 132.7 -107.0 1.000 -0.738 core.scoring.hbonds.HBondSet: #C 133 LEU N C 129 GLN O 1.98 143.1 129.4 -112.3 1.000 -0.717 core.scoring.hbonds.HBondSet: #C 134 ALA N C 130 ALA O 1.82 166.4 162.3 -156.9 1.000 -1.089 core.scoring.hbonds.HBondSet: #C 135 ARG N C 131 GLN O 2.10 173.9 148.9 -111.9 1.000 -1.178 core.scoring.hbonds.HBondSet: #C 135 ARG NH1C 132 ASP OD1 2.38 136.5 145.6 -62.9 0.647 -0.181 core.scoring.hbonds.HBondSet: #C 136 SER N C 132 ASP O 2.12 152.8 137.7 -125.8 1.000 -1.072 core.scoring.hbonds.HBondSet: #C 137 TYR N C 133 LEU O 1.85 167.1 151.6 -134.6 1.000 -1.205 core.scoring.hbonds.HBondSet: #C 139 ILE N C 134 ALA O 1.96 155.3 118.9 78.3 1.000 -0.895 core.scoring.hbonds.HBondSet: #C 141 TYR N D 43 GLN OE1 2.04 144.7 105.1 -161.4 0.882 -1.464 core.scoring.hbonds.HBondSet: #D 43 GLN NE2C 141 TYR O 2.03 157.6 130.4 65.6 0.882 -0.956 core.scoring.hbonds.HBondSet: #C 141 TYR OH C 143 GLU OE2 1.55 152.8 103.6 -1.4 0.929 -1.224 core.scoring.hbonds.HBondSet: #C 148 THR N C 145 SER OG 2.52 155.7 104.8 -76.2 0.718 -0.373 core.scoring.hbonds.HBondSet: #C 145 SER N C 150 GLN O 2.05 141.0 168.7 41.9 1.000 -0.559 core.scoring.hbonds.HBondSet: #C 152 VAL N C 149 ARG O 2.51 168.9 127.3 -107.7 1.000 -0.552 core.scoring.hbonds.HBondSet: #C 149 ARG NH1C 153 GLU OE2 1.56 159.7 126.3 71.8 0.600 -0.384 core.scoring.hbonds.HBondSet: #C 149 ARG NH2C 153 GLU OE2 2.54 125.7 139.4 -17.5 0.600 -0.123 core.scoring.hbonds.HBondSet: #C 155 ALA N C 151 GLY O 1.78 146.1 133.1 -129.0 1.000 -0.800 core.scoring.hbonds.HBondSet: #C 156 PHE N C 152 VAL O 1.89 154.0 157.7 -140.7 1.000 -0.980 core.scoring.hbonds.HBondSet: #C 157 TYR N C 153 GLU O 1.84 163.0 153.4 -86.5 1.000 -0.888 core.scoring.hbonds.HBondSet: #C 158 THR N C 154 ASP O 1.94 154.1 142.2 -89.4 1.000 -0.813 core.scoring.hbonds.HBondSet: #C 159 LEU N C 155 ALA O 2.54 144.2 134.9 -128.1 1.000 -0.262 core.scoring.hbonds.HBondSet: #C 160 VAL N C 156 PHE O 2.21 149.1 137.4 -143.0 1.000 -1.172 core.scoring.hbonds.HBondSet: #C 161 ARG N C 157 TYR O 1.89 162.8 155.6 -160.3 1.000 -1.302 core.scoring.hbonds.HBondSet: #C 162 GLU N C 158 THR O 1.95 165.7 151.2 -131.2 1.000 -1.263 core.scoring.hbonds.HBondSet: #C 163 ILE N C 159 LEU O 2.23 149.1 141.0 -119.3 1.000 -0.761 core.scoring.hbonds.HBondSet: #C 164 ARG N C 160 VAL O 1.88 171.9 160.2 -115.2 1.000 -1.091 core.scoring.hbonds.HBondSet: #C 165 GLN N C 161 ARG O 1.82 176.3 172.4 -139.7 1.000 -0.999 core.scoring.hbonds.HBondSet: #D 1 MET N C 162 GLU OE1 1.82 144.1 91.7 156.6 0.976 -0.691 core.scoring.hbonds.HBondSet: #C 166 HIS N C 162 GLU O 1.92 156.4 138.7 -120.0 1.000 -1.074 core.scoring.hbonds.HBondSet: #C 167 LYS N C 163 ILE O 2.12 124.3 130.8 -138.7 1.000 -0.641 core.scoring.hbonds.HBondSet: #C 168 LEU N C 164 ARG O 1.86 161.1 155.6 -106.6 1.000 -0.912 core.scoring.hbonds.HBondSet: #C 169 ARG N C 165 GLN O 2.29 139.6 150.6 -146.4 1.000 -0.622 core.scoring.hbonds.HBondSet: #D 1 MET N C 165 GLN OE1 2.12 146.2 99.8 128.5 0.835 -0.554 core.scoring.hbonds.HBondSet: #C 171 LEU N C 168 LEU O 1.81 154.8 164.8 -70.6 1.000 -0.694 core.scoring.hbonds.HBondSet: #C 170 LYS NZ C 169 ARG O 1.86 133.9 108.9 117.0 0.224 -0.059 core.scoring.hbonds.HBondSet: #D 2 THR N D 50 THR O 1.98 153.0 167.9 155.1 1.000 -0.894 core.scoring.hbonds.HBondSet: #D 52 LEU N D 2 THR O 1.72 167.6 145.5 124.6 1.000 -0.897 core.scoring.hbonds.HBondSet: #D 4 TYR OH D 49 GLU OE1 1.87 148.2 90.6 -158.3 0.882 -0.520 core.scoring.hbonds.HBondSet: #D 4 TYR N D 52 LEU O 1.66 165.8 167.6 97.1 1.000 -0.435 core.scoring.hbonds.HBondSet: #D 54 ASP N D 4 TYR O 1.72 166.4 154.7 93.8 1.000 -0.648 core.scoring.hbonds.HBondSet: #D 164 ARG NE D 4 TYR OH 2.59 162.8 134.0 74.5 0.882 -0.402 core.scoring.hbonds.HBondSet: #D 77 GLY N D 5 LYS O 2.52 134.7 154.4 -178.2 1.000 -0.113 core.scoring.hbonds.HBondSet: #D 5 LYS N D 76 GLU OE1 1.54 165.0 142.6 22.7 0.765 -1.391 core.scoring.hbonds.HBondSet: #D 76 GLU N D 5 LYS O 1.91 160.2 145.4 -56.2 1.000 -1.136 core.scoring.hbonds.HBondSet: #D 56 LEU N D 6 LEU O 1.72 178.1 168.9 -117.8 1.000 -0.751 core.scoring.hbonds.HBondSet: #D 6 LEU N D 54 ASP O 1.90 160.8 152.3 94.5 1.000 -0.918 core.scoring.hbonds.HBondSet: #D 7 VAL N D 77 GLY O 2.11 157.8 159.9 -165.5 1.000 -1.145 core.scoring.hbonds.HBondSet: #D 79 LEU N D 7 VAL O 1.88 166.4 146.8 124.1 1.000 -1.199 core.scoring.hbonds.HBondSet: #D 8 VAL N D 56 LEU O 1.77 169.6 175.1 81.8 1.000 -0.833 core.scoring.hbonds.HBondSet: #D 58 THR N D 8 VAL O 2.43 152.2 149.9 16.5 1.000 -0.837 core.scoring.hbonds.HBondSet: #D 81 VAL N D 9 VAL O 1.75 169.0 165.2 144.8 1.000 -0.869 core.scoring.hbonds.HBondSet: #D 9 VAL N D 79 LEU O 1.93 170.0 167.2 70.2 1.000 -1.083 core.scoring.hbonds.HBondSet: #D 14 VAL N D 11 ALA O 2.38 148.7 141.4 -128.6 1.000 -0.645 core.scoring.hbonds.HBondSet: #D 116 ASN ND2D 14 VAL O 1.67 147.0 135.1 141.6 1.000 -0.974 core.scoring.hbonds.HBondSet: #D 19 LEU N D 15 GLY O 2.05 151.7 143.9 -99.6 1.000 -0.793 core.scoring.hbonds.HBondSet: #D 20 THR N D 16 LYS O 2.13 166.6 143.6 -107.4 1.000 -1.071 core.scoring.hbonds.HBondSet: #D 17 SER OG D 57 ASP OD2 1.87 114.6 107.7 -177.0 1.000 -0.488 core.scoring.hbonds.HBondSet: #D 21 ILE N D 17 SER O 1.79 154.9 149.8 -137.3 1.000 -0.952 core.scoring.hbonds.HBondSet: #D 22 GLN N D 18 ALA O 1.86 153.5 140.6 -123.6 1.000 -0.977 core.scoring.hbonds.HBondSet: #D 23 LEU N D 19 LEU O 2.14 158.4 150.3 -145.1 1.000 -1.247 core.scoring.hbonds.HBondSet: #D 24 ILE N D 20 THR O 2.07 155.1 140.7 -108.5 1.000 -0.925 core.scoring.hbonds.HBondSet: #D 25 GLN N D 21 ILE O 1.56 132.7 142.6 -9.3 1.000 -0.001 core.scoring.hbonds.HBondSet: #D 26 ASN N D 21 ILE O 2.41 136.2 146.1 167.6 1.000 -0.601 core.scoring.hbonds.HBondSet: #D 149 ARG NE D 22 GLN O 2.12 139.8 117.6 63.3 0.835 -0.464 core.scoring.hbonds.HBondSet: #D 149 ARG NH2D 22 GLN O 2.01 139.9 146.0 137.3 0.835 -0.652 core.scoring.hbonds.HBondSet: #D 29 VAL N D 27 HIS O 2.47 111.1 116.9 -152.8 1.000 -0.086 core.scoring.hbonds.HBondSet: #D 59 ALA N D 37 GLU OE1 2.23 169.0 99.2 -26.6 0.647 -0.979 core.scoring.hbonds.HBondSet: #D 57 ASP N D 38 ASP O 2.02 159.9 148.4 112.1 1.000 -1.038 core.scoring.hbonds.HBondSet: #D 40 TYR N D 55 ILE O 1.66 150.7 149.5 -0.6 1.000 -0.730 core.scoring.hbonds.HBondSet: #D 55 ILE N D 40 TYR O 1.94 155.8 135.9 -80.6 1.000 -0.876 core.scoring.hbonds.HBondSet: #D 41 ARG NH2D 54 ASP OD1 2.11 156.8 122.7 133.7 0.647 -1.186 core.scoring.hbonds.HBondSet: #D 42 LYS N D 53 LEU O 2.24 133.2 129.7 31.0 1.000 -0.930 core.scoring.hbonds.HBondSet: #D 53 LEU N D 42 LYS O 1.82 169.1 144.4 75.9 1.000 -0.975 core.scoring.hbonds.HBondSet: #D 42 LYS NZ D 157 TYR OH 2.05 139.6 157.2 168.5 0.812 -0.099 core.scoring.hbonds.HBondSet: #D 44 VAL N D 51 CYS O 1.90 142.6 139.5 2.6 1.000 -1.373 core.scoring.hbonds.HBondSet: #D 51 CYS N D 44 VAL O 1.71 161.1 161.3 18.3 1.000 -0.780 core.scoring.hbonds.HBondSet: #D 46 ILE N D 49 GLU O 1.90 136.6 145.3 -57.8 1.000 -0.553 core.scoring.hbonds.HBondSet: #D 49 GLU N D 46 ILE O 2.00 157.3 116.2 99.9 1.000 -0.922 core.scoring.hbonds.HBondSet: #D 164 ARG NH2D 46 ILE O 2.07 136.9 109.4 -56.9 0.765 -0.451 core.scoring.hbonds.HBondSet: #D 161 ARG NE D 47 ASP OD2 1.82 167.5 111.8 -159.4 0.718 -1.487 core.scoring.hbonds.HBondSet: #D 161 ARG NH2D 47 ASP OD1 1.72 157.2 113.8 147.4 0.718 -1.127 core.scoring.hbonds.HBondSet: #D 164 ARG NH1D 47 ASP OD2 2.23 122.1 98.1 -39.4 0.647 -0.042 core.scoring.hbonds.HBondSet: #D 164 ARG NE D 49 GLU OE1 2.08 121.5 136.8 -92.4 0.765 -0.014 core.scoring.hbonds.HBondSet: #D 164 ARG NH2D 49 GLU OE1 1.40 140.1 138.2 49.8 0.765 -0.005 core.scoring.hbonds.HBondSet: #D 70 GLN N D 67 MET O 2.17 136.5 115.0 -98.6 1.000 -0.317 core.scoring.hbonds.HBondSet: #D 72 MET N D 68 ARG O 1.99 166.7 160.7 -170.5 1.000 -1.316 core.scoring.hbonds.HBondSet: #D 102 ARG NH1D 69 ASP OD2 2.19 136.9 124.8 139.4 0.459 -0.823 core.scoring.hbonds.HBondSet: #D 73 ARG N D 69 ASP O 1.97 140.8 139.1 -103.9 1.000 -0.550 core.scoring.hbonds.HBondSet: #D 74 THR N D 70 GLN O 2.16 137.2 131.6 -177.7 1.000 -1.376 core.scoring.hbonds.HBondSet: #D 75 GLY N D 72 MET O 2.38 158.1 105.7 -99.7 1.000 -0.419 core.scoring.hbonds.HBondSet: #D 78 PHE N D 110 PRO O 2.05 157.7 144.7 -143.1 1.000 -1.368 core.scoring.hbonds.HBondSet: #D 112 VAL N D 78 PHE O 2.10 143.2 152.5 -172.7 1.000 -1.029 core.scoring.hbonds.HBondSet: #D 114 VAL N D 80 CYS O 1.72 164.9 149.5 117.5 1.000 -0.741 core.scoring.hbonds.HBondSet: #D 80 CYS N D 112 VAL O 1.95 161.0 172.9 34.9 1.000 -0.982 core.scoring.hbonds.HBondSet: #D 82 PHE N D 114 VAL O 2.03 167.4 170.3 75.0 1.000 -1.069 core.scoring.hbonds.HBondSet: #D 116 ASN N D 82 PHE O 2.12 146.4 173.7 -3.8 1.000 -0.636 core.scoring.hbonds.HBondSet: #D 86 ASN N D 83 ALA O 2.54 144.5 114.1 -111.9 1.000 -0.035 core.scoring.hbonds.HBondSet: #D 83 ALA N D 89 SER OG 2.11 146.5 117.3 152.5 0.976 -1.646 core.scoring.hbonds.HBondSet: #D 124 THR N D 84 ILE O 1.93 160.3 139.9 136.2 1.000 -1.379 core.scoring.hbonds.HBondSet: #D 125 VAL N D 84 ILE O 2.05 139.0 162.4 -12.1 1.000 -0.670 core.scoring.hbonds.HBondSet: #D 84 ILE N D 116 ASN O 1.94 147.6 177.3 -97.9 1.000 -0.661 core.scoring.hbonds.HBondSet: #D 89 SER N D 86 ASN OD1 2.00 161.6 108.1 -98.8 0.906 -0.997 core.scoring.hbonds.HBondSet: #D 90 PHE N D 86 ASN O 2.32 158.0 145.2 -158.1 1.000 -1.243 core.scoring.hbonds.HBondSet: #D 91 GLU N D 87 THR O 1.78 158.6 144.7 -139.2 1.000 -1.110 core.scoring.hbonds.HBondSet: #D 88 LYS NZ D 91 GLU OE1 2.12 150.6 156.0 -89.7 0.459 -0.167 core.scoring.hbonds.HBondSet: #D 92 ASP N D 88 LYS O 1.73 149.1 145.6 -122.1 1.000 -0.547 core.scoring.hbonds.HBondSet: #D 93 ILE N D 90 PHE O 2.03 147.4 105.4 -96.7 1.000 -0.527 core.scoring.hbonds.HBondSet: #D 94 HIS N D 91 GLU O 2.28 154.2 119.5 -110.3 1.000 -0.747 core.scoring.hbonds.HBondSet: #D 95 GLN N D 92 ASP O 1.97 143.9 112.2 -97.6 1.000 -0.551 core.scoring.hbonds.HBondSet: #D 96 TYR N D 92 ASP O 2.30 161.1 156.2 175.1 1.000 -1.118 core.scoring.hbonds.HBondSet: #D 97 ARG N D 93 ILE O 2.05 176.1 164.5 -98.8 1.000 -1.133 core.scoring.hbonds.HBondSet: #D 98 GLU N D 94 HIS O 2.48 142.6 122.3 -120.3 1.000 -0.261 core.scoring.hbonds.HBondSet: #D 99 GLN N D 95 GLN O 1.99 161.3 153.0 -125.4 1.000 -1.136 core.scoring.hbonds.HBondSet: #D 100 ILE N D 96 TYR O 1.87 177.4 169.1 -152.0 1.000 -1.131 core.scoring.hbonds.HBondSet: #D 101 LYS N D 97 ARG O 1.86 167.3 142.3 -115.0 1.000 -1.108 core.scoring.hbonds.HBondSet: #D 102 ARG N D 98 GLU O 2.22 125.0 130.7 -126.1 1.000 -0.337 core.scoring.hbonds.HBondSet: #D 102 ARG N D 99 GLN O 2.09 133.2 99.1 -93.1 1.000 -0.018 core.scoring.hbonds.HBondSet: #D 103 VAL N D 99 GLN O 1.88 169.2 172.6 -128.9 1.000 -1.037 core.scoring.hbonds.HBondSet: #D 104 LYS N D 100 ILE O 1.81 170.9 160.9 -48.5 1.000 -1.038 core.scoring.hbonds.HBondSet: #D 106 SER N D 101 LYS O 2.55 140.0 125.9 -41.0 1.000 -0.377 core.scoring.hbonds.HBondSet: #D 108 ASP N D 106 SER OG 2.21 137.3 143.4 13.5 0.459 -0.092 core.scoring.hbonds.HBondSet: #D 142 ILE N D 113 LEU O 2.18 165.5 165.0 143.8 1.000 -1.054 core.scoring.hbonds.HBondSet: #D 113 LEU N D 140 PRO O 1.99 168.8 165.8 -121.5 1.000 -1.121 core.scoring.hbonds.HBondSet: #D 144 THR N D 115 GLY O 2.05 151.3 119.0 102.4 1.000 -0.815 core.scoring.hbonds.HBondSet: #D 115 GLY N D 142 ILE O 2.14 152.6 145.4 126.2 1.000 -0.985 core.scoring.hbonds.HBondSet: #D 117 LYS N D 116 ASN OD1 1.95 135.6 102.0 -56.4 1.000 -0.502 core.scoring.hbonds.HBondSet: #D 146 ALA N D 116 ASN OD1 2.50 148.1 139.3 174.2 1.000 -0.040 core.scoring.hbonds.HBondSet: #D 120 LEU N D 117 LYS O 1.73 153.1 140.1 -82.7 1.000 -0.460 core.scoring.hbonds.HBondSet: #D 117 LYS N D 144 THR O 2.23 116.8 127.4 -123.2 1.000 -0.076 core.scoring.hbonds.HBondSet: #D 118 CYS N D 144 THR O 1.88 157.5 150.5 118.9 1.000 -0.964 core.scoring.hbonds.HBondSet: #D 123 ARG NE D 125 VAL O 1.82 128.0 130.3 143.5 0.624 -0.648 core.scoring.hbonds.HBondSet: #D 130 ALA N D 126 GLU O 2.57 166.7 149.2 -153.7 1.000 -0.741 core.scoring.hbonds.HBondSet: #D 128 ARG NH2D 127 SER OG 2.10 123.3 96.6 53.1 0.412 -0.055 core.scoring.hbonds.HBondSet: #D 131 GLN N D 127 SER O 1.81 150.8 149.5 -138.0 1.000 -0.911 core.scoring.hbonds.HBondSet: #D 132 ASP N D 128 ARG O 1.96 143.7 138.7 -118.4 1.000 -0.770 core.scoring.hbonds.HBondSet: #D 133 LEU N D 129 GLN O 2.05 154.0 149.6 -123.9 1.000 -1.006 core.scoring.hbonds.HBondSet: #D 134 ALA N D 130 ALA O 2.04 172.6 153.4 -117.2 1.000 -1.210 core.scoring.hbonds.HBondSet: #D 135 ARG N D 131 GLN O 2.00 157.8 139.8 -105.8 1.000 -0.974 core.scoring.hbonds.HBondSet: #D 136 SER N D 132 ASP O 1.90 143.1 135.1 -132.5 1.000 -0.952 core.scoring.hbonds.HBondSet: #D 137 TYR N D 133 LEU O 1.93 138.5 144.3 -145.7 1.000 -0.923 core.scoring.hbonds.HBondSet: #D 138 GLY N D 134 ALA O 2.06 114.7 140.4 -145.1 1.000 -0.403 core.scoring.hbonds.HBondSet: #D 139 ILE N D 134 ALA O 1.90 169.0 134.7 69.1 1.000 -1.158 core.scoring.hbonds.HBondSet: #D 138 GLY N D 135 ARG O 2.19 144.5 99.6 -80.6 1.000 -0.216 core.scoring.hbonds.HBondSet: #D 141 TYR OH D 143 GLU OE2 1.45 141.9 141.2 32.0 0.906 -0.834 core.scoring.hbonds.HBondSet: #D 148 THR N D 145 SER OG 2.21 162.4 109.0 -94.6 0.718 -1.869 core.scoring.hbonds.HBondSet: #D 145 SER N D 150 GLN O 2.05 157.8 160.0 -28.2 1.000 -1.124 core.scoring.hbonds.HBondSet: #D 149 ARG N D 145 SER O 2.27 108.0 131.2 -130.5 1.000 0.000 core.scoring.hbonds.HBondSet: #D 150 GLN N D 148 THR OG1 2.01 159.2 116.7 54.1 0.553 -1.978 core.scoring.hbonds.HBondSet: #D 152 VAL N D 149 ARG O 2.08 167.7 133.5 -113.0 1.000 -1.205 core.scoring.hbonds.HBondSet: #D 149 ARG NH1D 153 GLU OE2 1.72 139.9 116.1 110.6 0.624 -0.269 core.scoring.hbonds.HBondSet: #D 149 ARG NH2D 153 GLU OE2 2.14 128.3 171.8 -38.7 0.624 -0.141 core.scoring.hbonds.HBondSet: #D 155 ALA N D 151 GLY O 2.21 144.4 149.7 -122.7 1.000 -0.640 core.scoring.hbonds.HBondSet: #D 156 PHE N D 152 VAL O 2.49 164.9 140.1 -133.1 1.000 -0.831 core.scoring.hbonds.HBondSet: #D 157 TYR N D 153 GLU O 1.61 176.4 168.7 -139.5 1.000 -0.343 core.scoring.hbonds.HBondSet: #D 159 LEU N D 155 ALA O 2.52 140.7 130.8 -124.7 1.000 -0.182 core.scoring.hbonds.HBondSet: #D 160 VAL N D 156 PHE O 2.09 159.7 161.6 -154.7 1.000 -1.128 core.scoring.hbonds.HBondSet: #D 161 ARG N D 157 TYR O 2.63 167.6 136.4 -88.2 1.000 -0.115 core.scoring.hbonds.HBondSet: #D 162 GLU N D 158 THR O 2.14 149.2 143.1 -142.7 1.000 -1.147 core.scoring.hbonds.HBondSet: #D 163 ILE N D 159 LEU O 1.94 160.5 153.2 -126.9 1.000 -1.117 core.scoring.hbonds.HBondSet: #D 164 ARG N D 160 VAL O 1.61 159.8 154.1 -143.4 1.000 -0.367 core.scoring.hbonds.HBondSet: #D 165 GLN N D 161 ARG O 1.72 164.1 141.9 -98.0 1.000 -0.642 core.scoring.hbonds.HBondSet: #D 166 HIS N D 162 GLU O 1.79 161.8 144.1 -107.5 1.000 -0.839 core.scoring.hbonds.HBondSet: #D 167 LYS N D 163 ILE O 1.99 160.5 154.2 -112.8 1.000 -1.029 core.scoring.hbonds.HBondSet: #D 168 LEU N D 165 GLN O 2.12 141.5 110.2 -100.9 1.000 -0.446 core.scoring.hbonds.HBondSet: #D 169 ARG N D 166 HIS O 1.83 168.3 146.2 -120.5 1.000 -1.104 core.scoring.hbonds.HBondSet: #D 170 LYS N D 167 LYS O 2.34 150.5 125.7 -124.0 1.000 -0.782 core.scoring.hbonds.HBondSet: #Dch Dn Dres Da Ach An Ares Aa length AHDang BAHang BAtor weight energy core.scoring.hbonds.HBondSet: #A 1 MET N B 162 GLU OE1 1.87 152.3 115.2 157.1 1.000 -1.850 core.scoring.hbonds.HBondSet: #A 1 MET N B 165 GLN OE1 1.59 159.1 136.2 147.7 0.859 -1.567 core.scoring.hbonds.HBondSet: #A 52 LEU N A 2 THR O 1.59 171.0 149.6 134.7 1.000 -0.439 core.scoring.hbonds.HBondSet: #A 2 THR N A 50 THR O 2.01 158.3 155.0 -175.7 1.000 -1.342 core.scoring.hbonds.HBondSet: #A 4 TYR N A 52 LEU O 1.71 146.0 157.4 151.1 1.000 -0.468 core.scoring.hbonds.HBondSet: #A 54 ASP N A 4 TYR O 1.72 151.1 150.2 49.0 1.000 -0.601 core.scoring.hbonds.HBondSet: #A 5 LYS N A 76 GLU OE1 1.52 175.1 149.4 13.9 0.765 -1.324 core.scoring.hbonds.HBondSet: #A 76 GLU N A 5 LYS O 1.97 142.0 123.6 -73.8 1.000 -0.616 core.scoring.hbonds.HBondSet: #A 77 GLY N A 5 LYS O 2.16 141.0 146.4 -155.0 1.000 -0.989 core.scoring.hbonds.HBondSet: #A 6 LEU N A 54 ASP O 1.88 169.2 151.8 102.5 1.000 -1.038 core.scoring.hbonds.HBondSet: #A 56 LEU N A 6 LEU O 2.05 163.6 163.5 167.1 1.000 -1.200 core.scoring.hbonds.HBondSet: #A 7 VAL N A 77 GLY O 1.65 159.9 148.6 -140.0 1.000 -0.669 core.scoring.hbonds.HBondSet: #A 8 VAL N A 56 LEU O 2.14 166.5 145.2 73.7 1.000 -1.058 core.scoring.hbonds.HBondSet: #A 58 THR N A 8 VAL O 2.66 140.8 137.3 32.0 1.000 -0.139 core.scoring.hbonds.HBondSet: #A 81 VAL N A 9 VAL O 1.76 166.8 144.1 -124.3 1.000 -0.996 core.scoring.hbonds.HBondSet: #A 9 VAL N A 79 LEU O 1.98 138.4 151.4 57.5 1.000 -0.592 core.scoring.hbonds.HBondSet: #A 14 VAL N A 11 ALA O 1.88 154.8 146.6 -154.7 1.000 -1.324 core.scoring.hbonds.HBondSet: #A 117 LYS NZ A 13 GLY O 2.09 158.9 168.0 43.3 0.929 -0.307 core.scoring.hbonds.HBondSet: #A 116 ASN ND2A 14 VAL O 2.17 167.3 134.9 147.9 1.000 -1.433 core.scoring.hbonds.HBondSet: #A 19 LEU N A 15 GLY O 1.86 152.2 155.7 -122.2 1.000 -0.811 core.scoring.hbonds.HBondSet: #A 20 THR N A 16 LYS O 1.90 177.7 161.6 -167.9 1.000 -1.327 core.scoring.hbonds.HBondSet: #A 21 ILE N A 17 SER O 1.81 151.9 161.2 83.6 1.000 -0.613 core.scoring.hbonds.HBondSet: #A 17 SER OG A 57 ASP OD2 1.82 126.8 115.0 -166.4 1.000 -0.827 core.scoring.hbonds.HBondSet: #A 22 GLN N A 18 ALA O 2.31 140.8 122.1 -104.6 1.000 -0.323 core.scoring.hbonds.HBondSet: #A 23 LEU N A 19 LEU O 2.28 137.6 137.1 -174.9 1.000 -1.131 core.scoring.hbonds.HBondSet: #A 23 LEU N A 20 THR O 1.97 123.1 112.5 -78.8 1.000 -0.055 core.scoring.hbonds.HBondSet: #A 24 ILE N A 20 THR O 2.08 160.5 165.8 117.0 1.000 -0.979 core.scoring.hbonds.HBondSet: #A 25 GLN N A 21 ILE O 2.24 105.4 127.6 -17.1 1.000 -0.432 core.scoring.hbonds.HBondSet: #A 149 ARG NH2A 22 GLN O 1.69 156.8 124.3 126.5 0.859 -0.895 core.scoring.hbonds.HBondSet: #A 30 ASP N A 31 GLU OE2 1.95 148.8 110.5 52.5 0.318 -1.124 core.scoring.hbonds.HBondSet: #A 57 ASP N A 38 ASP O 2.02 149.5 176.9 -58.1 1.000 -0.727 core.scoring.hbonds.HBondSet: #A 40 TYR N A 55 ILE O 2.06 133.0 125.1 62.1 1.000 -0.543 core.scoring.hbonds.HBondSet: #A 55 ILE N A 40 TYR O 1.69 157.5 167.5 -58.5 1.000 -0.451 core.scoring.hbonds.HBondSet: #A 42 LYS N A 53 LEU O 2.02 144.4 129.4 31.9 1.000 -1.371 core.scoring.hbonds.HBondSet: #A 53 LEU N A 42 LYS O 1.74 153.8 165.7 -34.7 1.000 -0.598 core.scoring.hbonds.HBondSet: #A 43 GLN NE2B 141 TYR O 1.70 166.6 150.3 33.2 0.859 -1.175 core.scoring.hbonds.HBondSet: #B 141 TYR N A 43 GLN OE1 2.24 131.2 99.3 -167.7 0.859 -0.219 core.scoring.hbonds.HBondSet: #A 44 VAL N A 51 CYS O 1.71 163.4 149.6 -1.3 1.000 -1.165 core.scoring.hbonds.HBondSet: #A 46 ILE N A 49 GLU O 2.07 141.6 134.8 -34.7 1.000 -1.178 core.scoring.hbonds.HBondSet: #A 49 GLU N A 46 ILE O 2.22 146.3 99.6 95.0 1.000 -0.222 core.scoring.hbonds.HBondSet: #A 161 ARG NH1A 47 ASP OD1 2.30 127.4 91.6 172.3 0.718 -0.063 core.scoring.hbonds.HBondSet: #A 161 ARG NH1A 47 ASP OD2 2.37 163.9 86.4 -172.5 0.718 -0.412 core.scoring.hbonds.HBondSet: #A 164 ARG NH1A 47 ASP OD2 1.48 142.3 122.9 -33.8 0.671 -0.468 core.scoring.hbonds.HBondSet: #A 164 ARG NH2A 47 ASP OD2 1.87 128.8 120.1 73.7 0.671 -0.154 core.scoring.hbonds.HBondSet: #B 169 ARG NH1A 49 GLU OE2 1.85 136.1 126.0 132.0 0.624 -0.645 core.scoring.hbonds.HBondSet: #B 169 ARG NH2A 49 GLU OE2 2.28 126.2 161.1 -104.1 0.624 -0.007 core.scoring.hbonds.HBondSet: #A 58 THR N A 56 LEU O 2.50 117.5 111.9 -148.7 1.000 -0.051 core.scoring.hbonds.HBondSet: #A 65 SER N A 63 GLU OE1 1.63 154.5 118.5 115.9 0.224 -0.884 core.scoring.hbonds.HBondSet: #A 68 ARG NH2A 96 TYR OH 1.81 164.5 113.9 -150.2 0.788 -1.692 core.scoring.hbonds.HBondSet: #A 74 THR OG1A 71 TYR O 2.00 159.3 114.5 -39.3 0.576 -0.378 core.scoring.hbonds.HBondSet: #A 71 TYR N A 72 MET O 2.18 108.7 111.7 7.3 1.000 -0.617 core.scoring.hbonds.HBondSet: #A 75 GLY N A 71 TYR O 1.64 137.5 150.1 -159.0 1.000 -0.191 core.scoring.hbonds.HBondSet: #A 104 LYS NZ A 75 GLY O 1.73 151.1 175.2 27.0 0.788 -0.427 core.scoring.hbonds.HBondSet: #A 112 VAL N A 78 PHE O 2.25 148.8 157.4 173.4 1.000 -0.878 core.scoring.hbonds.HBondSet: #A 78 PHE N A 110 PRO O 2.01 158.7 153.2 -144.4 1.000 -1.242 core.scoring.hbonds.HBondSet: #A 80 CYS N A 112 VAL O 2.27 143.1 149.0 68.7 1.000 -0.434 core.scoring.hbonds.HBondSet: #A 114 VAL N A 80 CYS O 2.23 169.9 156.5 101.6 1.000 -0.960 core.scoring.hbonds.HBondSet: #A 116 ASN N A 82 PHE O 1.76 152.5 166.5 -98.5 1.000 -0.518 core.scoring.hbonds.HBondSet: #A 82 PHE N A 114 VAL O 2.14 145.0 155.1 -96.1 1.000 -0.561 core.scoring.hbonds.HBondSet: #A 86 ASN N A 83 ALA O 2.32 149.5 107.5 -109.9 1.000 -0.454 core.scoring.hbonds.HBondSet: #A 83 ALA N A 89 SER OG 1.92 159.9 113.0 146.0 1.000 -2.159 core.scoring.hbonds.HBondSet: #A 84 ILE N A 116 ASN O 2.25 158.9 161.3 -45.4 1.000 -0.878 core.scoring.hbonds.HBondSet: #A 124 THR N A 84 ILE O 1.65 177.5 159.1 166.1 1.000 -0.788 core.scoring.hbonds.HBondSet: #A 88 LYS N A 86 ASN OD1 1.96 146.5 130.0 -97.6 0.600 -0.800 core.scoring.hbonds.HBondSet: #A 90 PHE N A 86 ASN O 2.39 155.4 153.6 -141.6 1.000 -0.744 core.scoring.hbonds.HBondSet: #A 91 GLU N A 87 THR O 2.43 136.5 134.7 -143.4 1.000 -0.557 core.scoring.hbonds.HBondSet: #A 92 ASP N A 88 LYS O 2.28 145.5 141.1 -118.0 1.000 -0.589 core.scoring.hbonds.HBondSet: #A 96 TYR N A 92 ASP O 2.47 148.2 144.3 139.2 1.000 -0.571 core.scoring.hbonds.HBondSet: #A 95 GLN N A 92 ASP O 1.65 147.8 124.5 -102.5 1.000 -0.067 core.scoring.hbonds.HBondSet: #A 97 ARG N A 93 ILE O 2.13 156.0 164.2 -73.0 1.000 -0.838 core.scoring.hbonds.HBondSet: #A 98 GLU N A 94 HIS O 2.17 155.1 127.3 -111.1 1.000 -0.919 core.scoring.hbonds.HBondSet: #A 99 GLN N A 95 GLN O 2.20 147.3 151.5 -140.0 1.000 -0.869 core.scoring.hbonds.HBondSet: #A 100 ILE N A 96 TYR O 2.07 160.1 159.6 177.7 1.000 -1.238 core.scoring.hbonds.HBondSet: #A 101 LYS N A 97 ARG O 2.17 173.1 164.2 -178.2 1.000 -1.217 core.scoring.hbonds.HBondSet: #A 102 ARG N A 98 GLU O 2.38 139.0 138.2 -136.4 1.000 -0.549 core.scoring.hbonds.HBondSet: #A 103 VAL N A 99 GLN O 1.71 166.8 162.3 -144.5 1.000 -0.762 core.scoring.hbonds.HBondSet: #A 104 LYS N A 100 ILE O 1.67 160.9 170.6 -154.6 1.000 -0.436 core.scoring.hbonds.HBondSet: #A 105 ASP N A 102 ARG O 2.25 143.4 93.6 -86.8 1.000 -0.002 core.scoring.hbonds.HBondSet: #A 108 ASP N A 106 SER OG 1.97 152.0 90.6 86.3 0.365 -1.113 core.scoring.hbonds.HBondSet: #A 113 LEU N A 140 PRO O 1.81 148.3 171.8 67.9 1.000 -0.521 core.scoring.hbonds.HBondSet: #A 142 ILE N A 113 LEU O 1.79 150.9 160.0 151.3 1.000 -0.770 core.scoring.hbonds.HBondSet: #A 115 GLY N A 142 ILE O 2.24 157.4 135.9 129.0 1.000 -1.120 core.scoring.hbonds.HBondSet: #A 144 THR N A 115 GLY O 2.13 162.0 119.4 101.2 1.000 -0.987 core.scoring.hbonds.HBondSet: #A 117 LYS N A 116 ASN OD1 1.85 141.7 101.3 -66.8 1.000 -0.539 core.scoring.hbonds.HBondSet: #A 120 LEU N A 117 LYS O 1.95 172.9 143.4 -107.1 1.000 -1.171 core.scoring.hbonds.HBondSet: #A 117 LYS N A 144 THR O 2.01 106.8 129.9 -132.7 1.000 -0.125 core.scoring.hbonds.HBondSet: #A 118 CYS N A 144 THR O 1.90 170.5 123.4 123.6 1.000 -1.398 core.scoring.hbonds.HBondSet: #A 123 ARG NH1A 143 GLU OE2 1.95 158.1 107.0 -145.0 0.741 -1.215 core.scoring.hbonds.HBondSet: #A 123 ARG NH2A 143 GLU OE1 1.63 171.8 119.9 158.6 0.741 -1.303 core.scoring.hbonds.HBondSet: #A 123 ARG NH1A 125 VAL O 2.02 173.1 148.1 -124.0 0.694 -1.007 core.scoring.hbonds.HBondSet: #A 130 ALA N A 126 GLU O 1.87 158.8 152.0 -177.9 1.000 -1.364 core.scoring.hbonds.HBondSet: #A 132 ASP N A 128 ARG O 2.21 150.7 138.4 -109.6 1.000 -0.724 core.scoring.hbonds.HBondSet: #A 133 LEU N A 129 GLN O 2.28 151.1 146.3 -142.0 1.000 -0.960 core.scoring.hbonds.HBondSet: #A 134 ALA N A 130 ALA O 1.79 166.2 162.7 -178.5 1.000 -1.051 core.scoring.hbonds.HBondSet: #A 135 ARG N A 131 GLN O 1.83 166.3 155.5 -99.9 1.000 -0.923 core.scoring.hbonds.HBondSet: #A 136 SER N A 132 ASP O 1.78 156.7 145.2 -115.7 1.000 -0.779 core.scoring.hbonds.HBondSet: #A 137 TYR N A 133 LEU O 1.92 158.6 154.8 -155.1 1.000 -1.247 core.scoring.hbonds.HBondSet: #A 138 GLY N A 134 ALA O 1.83 121.8 139.0 -163.6 1.000 -0.700 core.scoring.hbonds.HBondSet: #A 139 ILE N A 134 ALA O 2.24 163.7 126.8 83.5 1.000 -0.871 core.scoring.hbonds.HBondSet: #A 141 TYR OH A 143 GLU OE2 1.54 139.3 111.7 0.2 0.953 -1.165 core.scoring.hbonds.HBondSet: #A 141 TYR N C 43 GLN OE1 2.08 161.9 118.7 -172.1 0.835 -2.242 core.scoring.hbonds.HBondSet: #C 43 GLN NE2A 141 TYR O 2.33 146.4 124.9 79.1 0.835 -0.190 core.scoring.hbonds.HBondSet: #A 148 THR N A 145 SER OG 2.05 157.6 137.3 -91.6 0.694 -1.629 core.scoring.hbonds.HBondSet: #A 145 SER N A 150 GLN O 2.02 170.9 150.4 -53.6 1.000 -1.299 core.scoring.hbonds.HBondSet: #A 150 GLN N A 148 THR OG1 2.60 158.2 106.0 37.4 0.553 -0.009 core.scoring.hbonds.HBondSet: #A 152 VAL N A 149 ARG O 2.41 170.1 119.9 -103.6 1.000 -0.718 core.scoring.hbonds.HBondSet: #A 149 ARG NH2A 153 GLU OE2 2.57 140.9 135.9 23.0 0.671 -0.460 core.scoring.hbonds.HBondSet: #A 155 ALA N A 151 GLY O 2.17 152.2 149.8 -130.5 1.000 -0.948 core.scoring.hbonds.HBondSet: #A 156 PHE N A 152 VAL O 2.47 167.0 144.2 -123.9 1.000 -0.728 core.scoring.hbonds.HBondSet: #A 157 TYR N A 153 GLU O 1.72 169.3 166.5 -179.4 1.000 -0.834 core.scoring.hbonds.HBondSet: #A 157 TYR OH A 153 GLU OE1 2.17 146.9 99.0 117.3 0.765 -0.012 core.scoring.hbonds.HBondSet: #A 158 THR N A 154 ASP O 1.89 147.3 139.5 -98.2 1.000 -0.633 core.scoring.hbonds.HBondSet: #A 159 LEU N A 155 ALA O 2.17 148.5 137.9 -132.2 1.000 -1.027 core.scoring.hbonds.HBondSet: #A 160 VAL N A 156 PHE O 2.05 159.9 143.0 -132.0 1.000 -1.295 core.scoring.hbonds.HBondSet: #A 161 ARG N A 157 TYR O 1.81 160.4 153.3 -118.9 1.000 -0.892 core.scoring.hbonds.HBondSet: #A 162 GLU N A 158 THR O 2.08 152.2 148.4 -125.7 1.000 -0.984 core.scoring.hbonds.HBondSet: #A 163 ILE N A 159 LEU O 2.04 159.2 154.3 -135.6 1.000 -1.160 core.scoring.hbonds.HBondSet: #A 164 ARG N A 160 VAL O 1.82 170.5 164.7 -100.1 1.000 -0.943 core.scoring.hbonds.HBondSet: #A 165 GLN N A 161 ARG O 1.77 162.3 145.7 -126.0 1.000 -0.962 core.scoring.hbonds.HBondSet: #C 1 MET N A 162 GLU OE2 1.52 173.9 111.2 -150.8 0.859 -1.532 core.scoring.hbonds.HBondSet: #A 166 HIS N A 162 GLU O 1.67 153.5 143.8 -117.4 1.000 -0.382 core.scoring.hbonds.HBondSet: #A 167 LYS N A 163 ILE O 1.81 160.2 169.3 -164.8 1.000 -0.852 core.scoring.hbonds.HBondSet: #C 1 MET N A 165 GLN OE1 1.68 168.3 116.6 -140.8 0.694 -1.841 core.scoring.hbonds.HBondSet: #A 168 LEU N A 165 GLN O 2.16 161.1 119.3 -109.5 1.000 -1.021 core.scoring.hbonds.HBondSet: #A 169 ARG N A 167 LYS O 2.09 119.4 111.3 -127.2 1.000 -0.278 core.scoring.hbonds.HBondSet: #A 169 ARG N A 171 LEU O 2.31 134.6 103.8 72.2 1.000 -0.014 core.scoring.hbonds.HBondSet: #B 1 MET N D 162 GLU OE2 1.78 162.3 101.4 -153.1 0.953 -1.514 core.scoring.hbonds.HBondSet: #B 1 MET N D 165 GLN OE1 2.24 168.6 123.5 -111.6 0.741 -0.769 core.scoring.hbonds.HBondSet: #B 52 LEU N B 2 THR O 1.61 169.6 162.9 148.4 1.000 -0.412 core.scoring.hbonds.HBondSet: #B 2 THR N B 50 THR O 2.03 162.9 155.5 -160.6 1.000 -1.366 core.scoring.hbonds.HBondSet: #B 4 TYR N B 52 LEU O 1.80 164.8 167.3 95.8 1.000 -0.828 core.scoring.hbonds.HBondSet: #B 54 ASP N B 4 TYR O 1.94 154.4 155.9 57.8 1.000 -0.931 core.scoring.hbonds.HBondSet: #B 4 TYR OH B 49 GLU OE1 1.84 151.6 105.5 143.8 0.812 -0.974 core.scoring.hbonds.HBondSet: #B 5 LYS N B 76 GLU OE1 1.53 174.9 152.7 -34.8 0.765 -1.099 core.scoring.hbonds.HBondSet: #B 76 GLU N B 5 LYS O 1.69 161.1 146.8 -26.4 1.000 -1.018 core.scoring.hbonds.HBondSet: #B 77 GLY N B 5 LYS O 2.40 143.5 155.6 146.2 1.000 -0.432 core.scoring.hbonds.HBondSet: #B 6 LEU N B 54 ASP O 2.00 144.1 139.4 96.3 1.000 -0.600 core.scoring.hbonds.HBondSet: #B 56 LEU N B 6 LEU O 1.66 162.8 157.9 174.1 1.000 -0.718 core.scoring.hbonds.HBondSet: #B 79 LEU N B 7 VAL O 1.74 157.3 152.8 147.5 1.000 -0.891 core.scoring.hbonds.HBondSet: #B 7 VAL N B 77 GLY O 2.02 174.4 161.6 166.4 1.000 -1.357 core.scoring.hbonds.HBondSet: #B 58 THR N B 8 VAL O 2.72 146.2 149.3 -11.1 1.000 -0.011 core.scoring.hbonds.HBondSet: #B 8 VAL N B 56 LEU O 1.97 177.7 162.1 69.5 1.000 -1.162 core.scoring.hbonds.HBondSet: #B 9 VAL N B 79 LEU O 1.99 152.6 143.2 57.5 1.000 -1.020 core.scoring.hbonds.HBondSet: #B 81 VAL N B 9 VAL O 1.91 177.5 153.5 -123.6 1.000 -1.243 core.scoring.hbonds.HBondSet: #B 14 VAL N B 11 ALA O 2.39 160.5 137.3 -127.2 1.000 -0.898 core.scoring.hbonds.HBondSet: #B 19 LEU N B 15 GLY O 1.91 147.7 148.4 -139.0 1.000 -0.998 core.scoring.hbonds.HBondSet: #B 20 THR N B 16 LYS O 1.82 178.0 165.1 -147.9 1.000 -1.102 core.scoring.hbonds.HBondSet: #B 21 ILE N B 17 SER O 1.94 143.6 134.8 -118.0 1.000 -0.775 core.scoring.hbonds.HBondSet: #B 17 SER OG B 57 ASP OD2 2.05 111.8 116.7 177.1 1.000 -0.366 core.scoring.hbonds.HBondSet: #B 22 GLN N B 18 ALA O 1.97 153.3 145.9 -100.8 1.000 -0.831 core.scoring.hbonds.HBondSet: #B 23 LEU N B 19 LEU O 2.30 169.7 154.3 -159.7 1.000 -1.230 core.scoring.hbonds.HBondSet: #B 24 ILE N B 20 THR O 2.14 171.9 143.2 -132.6 1.000 -1.403 core.scoring.hbonds.HBondSet: #B 25 GLN N B 21 ILE O 1.99 147.2 133.1 -81.7 1.000 -0.687 core.scoring.hbonds.HBondSet: #B 26 ASN N B 21 ILE O 2.58 123.3 138.4 -158.7 1.000 -0.044 core.scoring.hbonds.HBondSet: #B 26 ASN N B 22 GLN O 1.79 133.6 118.3 -62.9 1.000 -0.337 core.scoring.hbonds.HBondSet: #B 38 ASP N B 57 ASP O 1.85 160.4 146.8 -3.4 1.000 -1.515 core.scoring.hbonds.HBondSet: #B 57 ASP N B 38 ASP O 1.89 149.2 160.7 -105.2 1.000 -0.676 core.scoring.hbonds.HBondSet: #B 40 TYR N B 55 ILE O 2.11 143.2 150.5 52.1 1.000 -0.744 core.scoring.hbonds.HBondSet: #B 55 ILE N B 40 TYR O 2.12 137.4 137.0 -91.8 1.000 -0.380 core.scoring.hbonds.HBondSet: #B 42 LYS N B 53 LEU O 1.91 134.3 138.2 49.9 1.000 -0.670 core.scoring.hbonds.HBondSet: #B 44 VAL N B 51 CYS O 1.91 173.0 163.2 -19.0 1.000 -1.262 core.scoring.hbonds.HBondSet: #B 51 CYS N B 44 VAL O 1.70 159.6 163.0 112.3 1.000 -0.521 core.scoring.hbonds.HBondSet: #B 46 ILE N B 49 GLU O 1.89 149.1 141.5 15.9 1.000 -1.413 core.scoring.hbonds.HBondSet: #B 164 ARG NH2B 46 ILE O 1.91 143.8 123.3 -75.0 0.835 -0.513 core.scoring.hbonds.HBondSet: #B 161 ARG NH1B 47 ASP OD2 2.06 128.7 100.1 -167.7 0.718 -0.614 core.scoring.hbonds.HBondSet: #B 161 ARG NH1B 47 ASP OD1 1.97 118.9 114.3 145.6 0.718 -0.498 core.scoring.hbonds.HBondSet: #B 164 ARG NH1B 47 ASP OD2 1.52 144.2 128.2 -31.0 0.741 -0.595 core.scoring.hbonds.HBondSet: #B 164 ARG NE B 49 GLU OE1 2.22 142.9 142.9 -117.5 0.788 -0.542 core.scoring.hbonds.HBondSet: #B 164 ARG NH2B 49 GLU OE1 2.04 151.6 123.3 -27.3 0.788 -1.398 core.scoring.hbonds.HBondSet: #B 63 GLU N B 62 GLU OE2 2.31 142.0 107.1 -34.1 0.341 -0.378 core.scoring.hbonds.HBondSet: #B 68 ARG N B 64 TYR O 2.21 159.0 142.6 -170.1 1.000 -1.568 core.scoring.hbonds.HBondSet: #B 66 ALA N B 68 ARG O 2.47 136.1 106.6 33.2 1.000 -0.418 core.scoring.hbonds.HBondSet: #B 69 ASP N B 67 MET O 1.74 106.9 117.0 -154.2 1.000 -0.195 core.scoring.hbonds.HBondSet: #B 70 GLN N B 67 MET O 1.98 119.6 120.4 -45.6 1.000 -0.524 core.scoring.hbonds.HBondSet: #B 71 TYR N B 67 MET O 2.16 162.9 149.0 67.5 1.000 -1.022 core.scoring.hbonds.HBondSet: #B 73 ARG N B 69 ASP O 2.51 126.5 117.9 -129.1 1.000 -0.007 core.scoring.hbonds.HBondSet: #B 73 ARG NH2B 69 ASP OD1 2.57 139.8 133.2 -39.3 0.459 -0.260 core.scoring.hbonds.HBondSet: #B 74 THR N B 70 GLN O 2.49 146.7 125.7 -106.1 1.000 -0.149 core.scoring.hbonds.HBondSet: #B 75 GLY N B 71 TYR O 1.87 145.5 145.5 -114.3 1.000 -0.663 core.scoring.hbonds.HBondSet: #B 112 VAL N B 78 PHE O 2.16 146.2 176.3 179.0 1.000 -0.584 core.scoring.hbonds.HBondSet: #B 78 PHE N B 110 PRO O 2.04 158.2 134.9 -140.7 1.000 -1.502 core.scoring.hbonds.HBondSet: #B 114 VAL N B 80 CYS O 1.97 165.7 143.0 81.3 1.000 -1.057 core.scoring.hbonds.HBondSet: #B 80 CYS N B 112 VAL O 1.96 160.5 171.4 -82.6 1.000 -0.954 core.scoring.hbonds.HBondSet: #B 116 ASN N B 82 PHE O 2.01 161.1 144.6 -120.6 1.000 -1.162 core.scoring.hbonds.HBondSet: #B 86 ASN N B 83 ALA O 1.81 161.3 117.4 -107.2 1.000 -0.888 core.scoring.hbonds.HBondSet: #B 83 ALA N B 89 SER OG 1.96 171.4 124.8 149.0 1.000 -2.326 core.scoring.hbonds.HBondSet: #B 84 ILE N B 116 ASN O 1.99 170.8 165.9 28.4 1.000 -1.215 core.scoring.hbonds.HBondSet: #B 124 THR N B 84 ILE O 2.25 143.4 147.0 -164.4 1.000 -1.010 core.scoring.hbonds.HBondSet: #B 89 SER N B 86 ASN OD1 1.35 169.0 136.5 -89.4 0.929 -0.473 core.scoring.hbonds.HBondSet: #B 90 PHE N B 86 ASN O 2.39 149.6 128.9 -139.9 1.000 -0.954 core.scoring.hbonds.HBondSet: #B 87 THR OG1B 124 THR OG1 1.94 120.7 134.4 95.7 0.576 -0.105 core.scoring.hbonds.HBondSet: #B 91 GLU N B 87 THR O 1.86 159.4 146.8 -126.5 1.000 -1.080 core.scoring.hbonds.HBondSet: #B 92 ASP N B 88 LYS O 2.02 132.2 148.3 -133.4 1.000 -0.579 core.scoring.hbonds.HBondSet: #B 96 TYR N B 92 ASP O 2.17 155.0 146.9 149.5 1.000 -1.263 core.scoring.hbonds.HBondSet: #B 97 ARG N B 93 ILE O 2.00 161.9 151.3 -100.5 1.000 -1.005 core.scoring.hbonds.HBondSet: #B 98 GLU N B 94 HIS O 2.09 144.5 133.0 -121.8 1.000 -0.859 core.scoring.hbonds.HBondSet: #B 99 GLN N B 95 GLN O 1.75 174.2 171.9 -172.4 1.000 -0.848 core.scoring.hbonds.HBondSet: #B 100 ILE N B 96 TYR O 1.99 154.7 141.5 -129.9 1.000 -1.183 core.scoring.hbonds.HBondSet: #B 97 ARG NH1B 98 GLU OE1 2.08 102.1 136.3 167.3 0.600 -0.281 core.scoring.hbonds.HBondSet: #B 101 LYS N B 97 ARG O 2.20 169.3 146.3 -103.0 1.000 -1.010 core.scoring.hbonds.HBondSet: #B 102 ARG N B 98 GLU O 2.10 155.0 157.1 -125.1 1.000 -0.944 core.scoring.hbonds.HBondSet: #B 103 VAL N B 99 GLN O 2.07 144.8 153.9 -148.4 1.000 -0.924 core.scoring.hbonds.HBondSet: #B 104 LYS N B 101 LYS O 2.32 156.3 98.4 -104.6 1.000 -0.333 core.scoring.hbonds.HBondSet: #B 105 ASP N B 101 LYS O 1.87 114.7 134.2 -113.9 1.000 -0.001 core.scoring.hbonds.HBondSet: #B 106 SER N B 104 LYS O 2.12 146.8 90.6 135.1 1.000 -0.382 core.scoring.hbonds.HBondSet: #B 142 ILE N B 113 LEU O 2.29 151.5 148.5 168.3 1.000 -1.122 core.scoring.hbonds.HBondSet: #B 113 LEU N B 140 PRO O 2.26 166.9 142.6 -106.9 1.000 -0.939 core.scoring.hbonds.HBondSet: #B 115 GLY N B 142 ILE O 1.89 175.4 163.3 115.9 1.000 -1.115 core.scoring.hbonds.HBondSet: #B 144 THR N B 115 GLY O 1.82 166.4 143.8 108.2 1.000 -0.975 core.scoring.hbonds.HBondSet: #B 116 ASN ND2B 144 THR OG1 2.11 151.9 114.3 74.4 1.000 -1.625 core.scoring.hbonds.HBondSet: #B 120 LEU N B 117 LYS O 1.61 160.9 146.4 -148.9 1.000 -0.638 core.scoring.hbonds.HBondSet: #B 118 CYS N B 144 THR O 2.26 149.6 158.9 128.3 1.000 -0.664 core.scoring.hbonds.HBondSet: #B 122 ALA N B 120 LEU O 2.39 118.6 115.2 -135.1 1.000 -0.091 core.scoring.hbonds.HBondSet: #B 123 ARG NE B 125 VAL O 1.27 158.8 151.8 151.1 0.859 -0.468 core.scoring.hbonds.HBondSet: #B 123 ARG NH1B 143 GLU OE1 2.43 152.6 131.2 154.5 0.835 -1.002 core.scoring.hbonds.HBondSet: #B 123 ARG NH2B 143 GLU OE2 2.05 144.9 97.4 -150.9 0.835 -0.765 core.scoring.hbonds.HBondSet: #B 130 ALA N B 126 GLU O 2.05 144.5 148.6 -178.6 1.000 -1.206 core.scoring.hbonds.HBondSet: #B 126 GLU N B 129 GLN OE1 1.82 136.4 92.4 58.0 0.482 -0.121 core.scoring.hbonds.HBondSet: #B 129 GLN N B 126 GLU O 2.06 119.8 113.4 -80.2 1.000 -0.010 core.scoring.hbonds.HBondSet: #B 128 ARG NH2B 127 SER OG 1.74 118.8 110.7 98.3 0.435 -0.082 core.scoring.hbonds.HBondSet: #B 130 ALA N B 127 SER O 1.83 123.3 115.7 -86.8 1.000 -0.001 core.scoring.hbonds.HBondSet: #B 131 GLN N B 127 SER O 1.62 168.0 152.9 134.3 1.000 -0.522 core.scoring.hbonds.HBondSet: #B 132 ASP N B 128 ARG O 1.71 157.8 144.0 -118.8 1.000 -0.662 core.scoring.hbonds.HBondSet: #B 133 LEU N B 129 GLN O 2.33 152.8 121.1 -102.2 1.000 -0.556 core.scoring.hbonds.HBondSet: #B 134 ALA N B 130 ALA O 1.84 166.9 159.5 -175.0 1.000 -1.226 core.scoring.hbonds.HBondSet: #B 135 ARG N B 131 GLN O 1.92 146.8 146.1 -91.4 1.000 -0.623 core.scoring.hbonds.HBondSet: #B 136 SER N B 132 ASP O 2.11 155.5 152.5 -172.9 1.000 -1.320 core.scoring.hbonds.HBondSet: #B 137 TYR N B 133 LEU O 2.17 133.9 144.9 -123.0 1.000 -0.463 core.scoring.hbonds.HBondSet: #B 138 GLY N B 134 ALA O 1.85 135.9 139.4 -133.7 1.000 -0.690 core.scoring.hbonds.HBondSet: #B 139 ILE N B 134 ALA O 1.78 172.1 146.2 58.4 1.000 -1.059 core.scoring.hbonds.HBondSet: #B 141 TYR OH B 143 GLU OE2 1.30 169.7 124.0 -22.7 0.953 -1.194 core.scoring.hbonds.HBondSet: #B 149 ARG N B 145 SER O 1.85 110.9 146.3 -130.1 1.000 -0.001 core.scoring.hbonds.HBondSet: #B 148 THR N B 145 SER OG 2.10 165.0 108.1 -79.1 0.694 -2.084 core.scoring.hbonds.HBondSet: #B 145 SER N B 150 GLN O 1.80 163.2 158.2 -5.1 1.000 -1.148 core.scoring.hbonds.HBondSet: #B 150 GLN N B 148 THR OG1 2.31 163.9 114.4 48.9 0.576 -1.417 core.scoring.hbonds.HBondSet: #B 152 VAL N B 149 ARG O 2.57 162.8 114.6 -116.9 1.000 -0.414 core.scoring.hbonds.HBondSet: #B 155 ALA N B 151 GLY O 1.98 152.5 142.8 -118.1 1.000 -0.965 core.scoring.hbonds.HBondSet: #B 156 PHE N B 152 VAL O 2.52 168.0 149.9 -128.4 1.000 -0.636 core.scoring.hbonds.HBondSet: #B 157 TYR N B 153 GLU O 2.01 159.5 148.4 -101.6 1.000 -0.968 core.scoring.hbonds.HBondSet: #B 158 THR N B 154 ASP O 1.96 151.7 136.5 -81.7 1.000 -0.789 core.scoring.hbonds.HBondSet: #B 159 LEU N B 155 ALA O 2.49 137.7 130.1 -132.6 1.000 -0.327 core.scoring.hbonds.HBondSet: #B 160 VAL N B 156 PHE O 2.28 136.6 138.3 -137.9 1.000 -0.671 core.scoring.hbonds.HBondSet: #B 161 ARG N B 157 TYR O 2.05 160.9 147.4 -145.4 1.000 -1.405 core.scoring.hbonds.HBondSet: #B 162 GLU N B 158 THR O 1.98 142.2 135.1 -129.6 1.000 -0.935 core.scoring.hbonds.HBondSet: #B 163 ILE N B 159 LEU O 2.27 145.9 130.6 -115.9 1.000 -0.628 core.scoring.hbonds.HBondSet: #B 164 ARG N B 160 VAL O 1.87 170.6 168.8 -122.1 1.000 -1.038 core.scoring.hbonds.HBondSet: #B 165 GLN N B 161 ARG O 1.97 158.8 148.5 -96.5 1.000 -0.933 core.scoring.hbonds.HBondSet: #B 166 HIS N B 162 GLU O 2.15 141.4 126.0 -121.4 1.000 -0.756 core.scoring.hbonds.HBondSet: #B 167 LYS N B 163 ILE O 2.28 116.2 139.1 -144.3 1.000 -0.241 core.scoring.hbonds.HBondSet: #B 167 LYS N B 164 ARG O 2.22 148.2 99.2 -95.0 1.000 -0.254 core.scoring.hbonds.HBondSet: #B 168 LEU N B 165 GLN O 2.06 156.0 105.9 -96.2 1.000 -0.731 core.scoring.hbonds.HBondSet: #B 165 GLN NE2B 169 ARG O 2.02 154.2 163.2 -90.6 0.600 -0.731 core.scoring.hbonds.HBondSet: #C 2 THR N C 50 THR O 1.72 154.1 148.6 160.0 1.000 -0.980 core.scoring.hbonds.HBondSet: #C 52 LEU N C 2 THR O 1.55 161.2 156.3 126.4 1.000 -0.001 core.scoring.hbonds.HBondSet: #C 4 TYR OH C 49 GLU OE1 1.43 137.8 91.5 160.8 0.859 -0.322 core.scoring.hbonds.HBondSet: #C 4 TYR N C 52 LEU O 2.12 158.0 146.8 110.8 1.000 -0.956 core.scoring.hbonds.HBondSet: #C 54 ASP N C 4 TYR O 2.02 153.2 152.3 86.2 1.000 -0.814 core.scoring.hbonds.HBondSet: #C 5 LYS N C 76 GLU OE1 1.63 176.7 141.4 -69.2 0.718 -1.026 core.scoring.hbonds.HBondSet: #C 76 GLU N C 5 LYS O 1.69 153.2 142.2 -29.9 1.000 -0.922 core.scoring.hbonds.HBondSet: #C 77 GLY N C 5 LYS O 2.17 159.7 146.5 136.1 1.000 -1.218 core.scoring.hbonds.HBondSet: #C 6 LEU N C 54 ASP O 2.32 137.6 138.1 85.2 1.000 -0.152 core.scoring.hbonds.HBondSet: #C 56 LEU N C 6 LEU O 1.75 173.5 163.1 -159.7 1.000 -0.981 core.scoring.hbonds.HBondSet: #C 7 VAL N C 77 GLY O 2.04 157.7 156.7 -176.3 1.000 -1.280 core.scoring.hbonds.HBondSet: #C 79 LEU N C 7 VAL O 2.04 161.1 151.4 106.5 1.000 -1.011 core.scoring.hbonds.HBondSet: #C 8 VAL N C 56 LEU O 1.70 168.1 175.5 -29.1 1.000 -0.633 core.scoring.hbonds.HBondSet: #C 58 THR N C 8 VAL O 2.51 149.3 152.2 -34.7 1.000 -0.419 core.scoring.hbonds.HBondSet: #C 81 VAL N C 9 VAL O 1.97 169.4 138.7 -95.1 1.000 -1.087 core.scoring.hbonds.HBondSet: #C 9 VAL N C 79 LEU O 1.99 163.0 158.5 69.8 1.000 -1.041 core.scoring.hbonds.HBondSet: #C 14 VAL N C 11 ALA O 2.53 152.2 138.8 -142.7 1.000 -0.663 core.scoring.hbonds.HBondSet: #C 116 ASN ND2C 14 VAL O 1.82 167.4 146.4 -179.9 1.000 -1.537 core.scoring.hbonds.HBondSet: #C 20 THR N C 16 LYS O 1.99 167.4 144.5 -123.1 1.000 -1.282 core.scoring.hbonds.HBondSet: #C 21 ILE N C 17 SER O 1.82 165.5 158.8 -113.3 1.000 -0.929 core.scoring.hbonds.HBondSet: #C 22 GLN N C 18 ALA O 2.38 136.0 129.7 -113.7 1.000 -0.171 core.scoring.hbonds.HBondSet: #C 23 LEU N C 19 LEU O 2.36 161.8 147.0 -120.0 1.000 -0.796 core.scoring.hbonds.HBondSet: #C 24 ILE N C 20 THR O 2.00 166.6 151.1 -111.1 1.000 -1.125 core.scoring.hbonds.HBondSet: #C 25 GLN N C 21 ILE O 1.72 154.7 129.3 -67.1 1.000 -0.607 core.scoring.hbonds.HBondSet: #C 26 ASN N C 21 ILE O 2.57 119.1 135.6 -156.2 1.000 -0.015 core.scoring.hbonds.HBondSet: #C 26 ASN N C 22 GLN O 1.79 133.4 103.5 -60.3 1.000 -0.147 core.scoring.hbonds.HBondSet: #C 22 GLN NE2C 146 ALA O 1.63 154.0 167.5 -163.7 1.000 -0.645 core.scoring.hbonds.HBondSet: #C 149 ARG NE C 22 GLN O 2.21 140.1 113.0 69.0 0.812 -0.272 core.scoring.hbonds.HBondSet: #C 149 ARG NH2C 22 GLN O 1.88 151.2 126.3 147.7 0.812 -1.210 core.scoring.hbonds.HBondSet: #C 42 LYS NZ C 23 LEU O 1.67 132.9 144.5 165.1 0.812 -0.372 core.scoring.hbonds.HBondSet: #C 27 HIS NE2C 25 GLN OE1 1.52 162.8 154.3 6.2 0.435 -1.662 core.scoring.hbonds.HBondSet: #C 38 ASP N C 57 ASP O 2.03 155.3 145.6 -28.1 1.000 -1.404 core.scoring.hbonds.HBondSet: #C 57 ASP N C 38 ASP O 1.79 175.4 159.9 -62.4 1.000 -0.987 core.scoring.hbonds.HBondSet: #C 41 ARG NE C 40 TYR O 1.84 155.4 116.2 116.0 0.671 -0.817 core.scoring.hbonds.HBondSet: #C 40 TYR N C 55 ILE O 2.07 139.9 138.2 60.9 1.000 -0.682 core.scoring.hbonds.HBondSet: #C 55 ILE N C 40 TYR O 2.01 140.2 128.7 -92.3 1.000 -0.492 core.scoring.hbonds.HBondSet: #C 42 LYS N C 53 LEU O 1.92 154.7 134.6 29.2 1.000 -1.568 core.scoring.hbonds.HBondSet: #C 53 LEU N C 42 LYS O 1.68 151.6 151.7 111.2 1.000 -0.308 core.scoring.hbonds.HBondSet: #C 44 VAL N C 51 CYS O 1.85 164.6 152.3 -11.9 1.000 -1.400 core.scoring.hbonds.HBondSet: #C 51 CYS N C 44 VAL O 1.80 154.4 157.7 -123.0 1.000 -0.742 core.scoring.hbonds.HBondSet: #C 46 ILE N C 49 GLU O 1.67 145.0 151.1 -29.9 1.000 -0.420 core.scoring.hbonds.HBondSet: #C 161 ARG NE C 47 ASP OD2 1.79 167.7 111.2 -154.9 0.741 -1.399 core.scoring.hbonds.HBondSet: #C 161 ARG NH2C 47 ASP OD1 1.31 152.2 114.3 134.3 0.741 -0.155 core.scoring.hbonds.HBondSet: #C 164 ARG NH1C 47 ASP OD2 1.79 144.3 119.0 -34.0 0.694 -1.005 core.scoring.hbonds.HBondSet: #C 164 ARG NE C 49 GLU OE1 2.09 148.3 123.1 -106.5 0.765 -0.680 core.scoring.hbonds.HBondSet: #C 164 ARG NH2C 49 GLU OE1 1.98 150.7 130.9 -21.0 0.765 -1.389 core.scoring.hbonds.HBondSet: #C 64 TYR N C 61 GLN O 2.09 163.3 134.6 -104.2 1.000 -1.046 core.scoring.hbonds.HBondSet: #C 67 MET N C 64 TYR O 2.24 163.1 120.2 -110.8 1.000 -0.992 core.scoring.hbonds.HBondSet: #C 68 ARG N C 65 SER O 2.45 162.1 114.3 -110.9 1.000 -0.588 core.scoring.hbonds.HBondSet: #C 71 TYR N C 67 MET O 2.78 160.9 130.8 -139.3 1.000 -0.124 core.scoring.hbonds.HBondSet: #C 72 MET N C 68 ARG O 1.90 156.3 161.6 -113.6 1.000 -0.867 core.scoring.hbonds.HBondSet: #C 68 ARG NH1C 99 GLN OE1 2.34 152.0 138.5 126.6 0.718 -0.553 core.scoring.hbonds.HBondSet: #C 73 ARG N C 69 ASP O 2.24 126.8 126.8 -125.2 1.000 -0.354 core.scoring.hbonds.HBondSet: #C 74 THR N C 70 GLN O 2.31 145.5 139.3 -134.5 1.000 -0.795 core.scoring.hbonds.HBondSet: #C 75 GLY N C 71 TYR O 2.01 145.7 143.8 -113.0 1.000 -0.744 core.scoring.hbonds.HBondSet: #C 78 PHE N C 110 PRO O 1.89 171.1 154.0 -133.0 1.000 -1.258 core.scoring.hbonds.HBondSet: #C 112 VAL N C 78 PHE O 2.26 137.9 153.6 -177.7 1.000 -0.706 core.scoring.hbonds.HBondSet: #C 114 VAL N C 80 CYS O 1.86 155.0 164.5 88.3 1.000 -0.760 core.scoring.hbonds.HBondSet: #C 80 CYS N C 112 VAL O 1.88 162.1 169.5 2.0 1.000 -1.001 core.scoring.hbonds.HBondSet: #C 82 PHE N C 114 VAL O 1.97 151.0 151.7 -114.5 1.000 -0.844 core.scoring.hbonds.HBondSet: #C 116 ASN N C 82 PHE O 1.73 153.8 170.9 -52.7 1.000 -0.479 core.scoring.hbonds.HBondSet: #C 86 ASN N C 83 ALA O 2.10 150.9 123.3 -107.8 1.000 -0.837 core.scoring.hbonds.HBondSet: #C 83 ALA N C 89 SER OG 2.04 170.4 133.9 145.8 1.000 -2.012 core.scoring.hbonds.HBondSet: #C 84 ILE N C 116 ASN O 1.95 159.3 172.6 -73.4 1.000 -0.931 core.scoring.hbonds.HBondSet: #C 124 THR N C 84 ILE O 1.76 153.0 166.8 -131.8 1.000 -0.587 core.scoring.hbonds.HBondSet: #C 125 VAL N C 84 ILE O 2.53 164.3 138.7 -65.9 1.000 -0.489 core.scoring.hbonds.HBondSet: #C 89 SER N C 86 ASN O 2.24 126.7 121.2 -94.4 1.000 -0.018 core.scoring.hbonds.HBondSet: #C 89 SER N C 86 ASN OD1 2.15 151.2 132.2 -37.0 0.976 -1.308 core.scoring.hbonds.HBondSet: #C 90 PHE N C 86 ASN O 2.49 148.3 136.9 172.5 1.000 -1.021 core.scoring.hbonds.HBondSet: #C 91 GLU N C 87 THR O 1.73 168.1 160.6 -136.9 1.000 -0.842 core.scoring.hbonds.HBondSet: #C 92 ASP N C 88 LYS O 1.77 142.1 145.1 -143.0 1.000 -0.721 core.scoring.hbonds.HBondSet: #C 93 ILE N C 89 SER O 2.27 134.8 151.0 -133.2 1.000 -0.401 core.scoring.hbonds.HBondSet: #C 95 GLN N C 92 ASP O 2.18 123.3 117.3 -80.6 1.000 -0.020 core.scoring.hbonds.HBondSet: #C 96 TYR N C 92 ASP O 2.15 160.9 154.3 168.7 1.000 -1.329 core.scoring.hbonds.HBondSet: #C 97 ARG N C 93 ILE O 1.67 175.6 168.1 -141.3 1.000 -0.605 core.scoring.hbonds.HBondSet: #C 98 GLU N C 94 HIS O 2.15 153.5 139.2 -126.1 1.000 -1.058 core.scoring.hbonds.HBondSet: #C 99 GLN N C 95 GLN O 2.33 146.1 145.4 -117.0 1.000 -0.482 core.scoring.hbonds.HBondSet: #C 100 ILE N C 96 TYR O 2.09 167.1 158.5 -150.8 1.000 -1.289 core.scoring.hbonds.HBondSet: #C 101 LYS N C 97 ARG O 2.11 163.6 148.7 -126.8 1.000 -1.199 core.scoring.hbonds.HBondSet: #C 102 ARG N C 98 GLU O 2.14 156.4 133.1 -120.4 1.000 -1.083 core.scoring.hbonds.HBondSet: #C 103 VAL N C 99 GLN O 1.77 170.6 155.8 -107.8 1.000 -0.867 core.scoring.hbonds.HBondSet: #C 104 LYS N C 100 ILE O 1.74 161.0 159.6 -109.4 1.000 -0.667 core.scoring.hbonds.HBondSet: #C 106 SER N C 101 LYS O 2.41 142.0 129.0 1.7 1.000 -1.169 core.scoring.hbonds.HBondSet: #C 102 ARG NH2C 105 ASP OD1 2.37 145.4 152.0 -158.6 0.318 -0.641 core.scoring.hbonds.HBondSet: #C 108 ASP N C 106 SER OG 2.22 135.0 142.4 -10.1 0.482 -0.020 core.scoring.hbonds.HBondSet: #C 169 ARG NH1C 108 ASP OD2 1.70 129.9 173.3 -0.5 0.412 -0.001 core.scoring.hbonds.HBondSet: #C 142 ILE N C 113 LEU O 1.88 166.1 166.9 171.9 1.000 -1.104 core.scoring.hbonds.HBondSet: #C 113 LEU N C 140 PRO O 1.93 164.7 144.6 -108.0 1.000 -1.073 core.scoring.hbonds.HBondSet: #C 115 GLY N C 142 ILE O 2.04 164.1 154.8 175.7 1.000 -1.446 core.scoring.hbonds.HBondSet: #C 144 THR N C 115 GLY O 2.02 173.4 137.2 103.8 1.000 -1.173 core.scoring.hbonds.HBondSet: #C 120 LEU N C 117 LYS O 1.80 177.0 133.7 -108.6 1.000 -1.051 core.scoring.hbonds.HBondSet: #C 118 CYS N C 144 THR O 1.85 163.3 151.8 126.7 1.000 -1.091 core.scoring.hbonds.HBondSet: #C 123 ARG NH1C 143 GLU OE1 2.17 169.7 110.4 151.0 0.765 -1.461 core.scoring.hbonds.HBondSet: #C 123 ARG NH2C 143 GLU OE2 1.91 161.0 121.8 -138.6 0.765 -1.288 core.scoring.hbonds.HBondSet: #C 123 ARG NE C 125 VAL O 2.03 131.2 124.9 118.0 0.718 -0.374 core.scoring.hbonds.HBondSet: #C 123 ARG NH2C 125 VAL O 1.68 140.4 134.2 -140.9 0.718 -0.735 core.scoring.hbonds.HBondSet: #C 130 ALA N C 126 GLU O 2.53 165.6 156.0 -159.6 1.000 -0.707 core.scoring.hbonds.HBondSet: #C 131 GLN N C 127 SER O 1.87 164.3 151.0 -110.2 1.000 -1.010 core.scoring.hbonds.HBondSet: #C 132 ASP N C 128 ARG O 2.01 146.5 132.7 -107.0 1.000 -0.738 core.scoring.hbonds.HBondSet: #C 133 LEU N C 129 GLN O 1.98 143.1 129.4 -112.3 1.000 -0.717 core.scoring.hbonds.HBondSet: #C 134 ALA N C 130 ALA O 1.82 166.4 162.3 -156.9 1.000 -1.089 core.scoring.hbonds.HBondSet: #C 135 ARG N C 131 GLN O 2.10 173.9 148.9 -111.9 1.000 -1.178 core.scoring.hbonds.HBondSet: #C 135 ARG NH1C 132 ASP OD1 2.38 136.5 145.6 -62.9 0.647 -0.181 core.scoring.hbonds.HBondSet: #C 136 SER N C 132 ASP O 2.12 152.8 137.7 -125.8 1.000 -1.072 core.scoring.hbonds.HBondSet: #C 137 TYR N C 133 LEU O 1.85 167.1 151.6 -134.6 1.000 -1.205 core.scoring.hbonds.HBondSet: #C 139 ILE N C 134 ALA O 1.96 155.3 118.9 78.3 1.000 -0.895 core.scoring.hbonds.HBondSet: #C 141 TYR N D 43 GLN OE1 2.04 144.7 105.1 -161.4 0.882 -1.464 core.scoring.hbonds.HBondSet: #D 43 GLN NE2C 141 TYR O 2.03 157.6 130.4 65.6 0.882 -0.956 core.scoring.hbonds.HBondSet: #C 141 TYR OH C 143 GLU OE2 1.55 152.8 103.6 -1.4 0.929 -1.224 core.scoring.hbonds.HBondSet: #C 148 THR N C 145 SER OG 2.52 155.7 104.8 -76.2 0.718 -0.373 core.scoring.hbonds.HBondSet: #C 145 SER N C 150 GLN O 2.05 141.0 168.7 41.9 1.000 -0.559 core.scoring.hbonds.HBondSet: #C 152 VAL N C 149 ARG O 2.51 168.9 127.3 -107.7 1.000 -0.552 core.scoring.hbonds.HBondSet: #C 149 ARG NH1C 153 GLU OE2 1.56 159.7 126.3 71.8 0.600 -0.384 core.scoring.hbonds.HBondSet: #C 149 ARG NH2C 153 GLU OE2 2.54 125.7 139.4 -17.5 0.600 -0.123 core.scoring.hbonds.HBondSet: #C 155 ALA N C 151 GLY O 1.78 146.1 133.1 -129.0 1.000 -0.800 core.scoring.hbonds.HBondSet: #C 156 PHE N C 152 VAL O 1.89 154.0 157.7 -140.7 1.000 -0.980 core.scoring.hbonds.HBondSet: #C 157 TYR N C 153 GLU O 1.84 163.0 153.4 -86.5 1.000 -0.888 core.scoring.hbonds.HBondSet: #C 158 THR N C 154 ASP O 1.94 154.1 142.2 -89.4 1.000 -0.813 core.scoring.hbonds.HBondSet: #C 159 LEU N C 155 ALA O 2.54 144.2 134.9 -128.1 1.000 -0.262 core.scoring.hbonds.HBondSet: #C 160 VAL N C 156 PHE O 2.21 149.1 137.4 -143.0 1.000 -1.172 core.scoring.hbonds.HBondSet: #C 161 ARG N C 157 TYR O 1.89 162.8 155.6 -160.3 1.000 -1.302 core.scoring.hbonds.HBondSet: #C 162 GLU N C 158 THR O 1.95 165.7 151.2 -131.2 1.000 -1.263 core.scoring.hbonds.HBondSet: #C 163 ILE N C 159 LEU O 2.23 149.1 141.0 -119.3 1.000 -0.761 core.scoring.hbonds.HBondSet: #C 164 ARG N C 160 VAL O 1.88 171.9 160.2 -115.2 1.000 -1.091 core.scoring.hbonds.HBondSet: #C 165 GLN N C 161 ARG O 1.82 176.3 172.4 -139.7 1.000 -0.999 core.scoring.hbonds.HBondSet: #D 1 MET N C 162 GLU OE1 1.82 144.1 91.7 156.6 0.976 -0.691 core.scoring.hbonds.HBondSet: #C 166 HIS N C 162 GLU O 1.92 156.4 138.7 -120.0 1.000 -1.074 core.scoring.hbonds.HBondSet: #C 167 LYS N C 163 ILE O 2.12 124.3 130.8 -138.7 1.000 -0.641 core.scoring.hbonds.HBondSet: #C 168 LEU N C 164 ARG O 1.86 161.1 155.6 -106.6 1.000 -0.912 core.scoring.hbonds.HBondSet: #C 169 ARG N C 165 GLN O 2.29 139.6 150.6 -146.4 1.000 -0.622 core.scoring.hbonds.HBondSet: #D 1 MET N C 165 GLN OE1 2.12 146.2 99.8 128.5 0.835 -0.554 core.scoring.hbonds.HBondSet: #C 171 LEU N C 168 LEU O 1.81 154.8 164.8 -70.6 1.000 -0.694 core.scoring.hbonds.HBondSet: #C 170 LYS NZ C 169 ARG O 1.86 133.9 108.9 117.0 0.224 -0.059 core.scoring.hbonds.HBondSet: #D 2 THR N D 50 THR O 1.98 153.0 167.9 155.1 1.000 -0.894 core.scoring.hbonds.HBondSet: #D 52 LEU N D 2 THR O 1.72 167.6 145.5 124.6 1.000 -0.897 core.scoring.hbonds.HBondSet: #D 4 TYR OH D 49 GLU OE1 1.87 148.2 90.6 -158.3 0.882 -0.520 core.scoring.hbonds.HBondSet: #D 4 TYR N D 52 LEU O 1.66 165.8 167.6 97.1 1.000 -0.435 core.scoring.hbonds.HBondSet: #D 54 ASP N D 4 TYR O 1.72 166.4 154.7 93.8 1.000 -0.648 core.scoring.hbonds.HBondSet: #D 164 ARG NE D 4 TYR OH 2.59 162.8 134.0 74.5 0.882 -0.402 core.scoring.hbonds.HBondSet: #D 77 GLY N D 5 LYS O 2.52 134.7 154.4 -178.2 1.000 -0.113 core.scoring.hbonds.HBondSet: #D 5 LYS N D 76 GLU OE1 1.54 165.0 142.6 22.7 0.765 -1.391 core.scoring.hbonds.HBondSet: #D 76 GLU N D 5 LYS O 1.91 160.2 145.4 -56.2 1.000 -1.136 core.scoring.hbonds.HBondSet: #D 56 LEU N D 6 LEU O 1.72 178.1 168.9 -117.8 1.000 -0.751 core.scoring.hbonds.HBondSet: #D 6 LEU N D 54 ASP O 1.90 160.8 152.3 94.5 1.000 -0.918 core.scoring.hbonds.HBondSet: #D 7 VAL N D 77 GLY O 2.11 157.8 159.9 -165.5 1.000 -1.145 core.scoring.hbonds.HBondSet: #D 79 LEU N D 7 VAL O 1.88 166.4 146.8 124.1 1.000 -1.199 core.scoring.hbonds.HBondSet: #D 8 VAL N D 56 LEU O 1.77 169.6 175.1 81.8 1.000 -0.833 core.scoring.hbonds.HBondSet: #D 58 THR N D 8 VAL O 2.43 152.2 149.9 16.5 1.000 -0.837 core.scoring.hbonds.HBondSet: #D 81 VAL N D 9 VAL O 1.75 169.0 165.2 144.8 1.000 -0.869 core.scoring.hbonds.HBondSet: #D 9 VAL N D 79 LEU O 1.93 170.0 167.2 70.2 1.000 -1.083 core.scoring.hbonds.HBondSet: #D 14 VAL N D 11 ALA O 2.38 148.7 141.4 -128.6 1.000 -0.645 core.scoring.hbonds.HBondSet: #D 116 ASN ND2D 14 VAL O 1.67 147.0 135.1 141.6 1.000 -0.974 core.scoring.hbonds.HBondSet: #D 19 LEU N D 15 GLY O 2.05 151.7 143.9 -99.6 1.000 -0.793 core.scoring.hbonds.HBondSet: #D 20 THR N D 16 LYS O 2.13 166.6 143.6 -107.4 1.000 -1.071 core.scoring.hbonds.HBondSet: #D 17 SER OG D 57 ASP OD2 1.87 114.6 107.7 -177.0 1.000 -0.488 core.scoring.hbonds.HBondSet: #D 21 ILE N D 17 SER O 1.79 154.9 149.8 -137.3 1.000 -0.952 core.scoring.hbonds.HBondSet: #D 22 GLN N D 18 ALA O 1.86 153.5 140.6 -123.6 1.000 -0.977 core.scoring.hbonds.HBondSet: #D 23 LEU N D 19 LEU O 2.14 158.4 150.3 -145.1 1.000 -1.247 core.scoring.hbonds.HBondSet: #D 24 ILE N D 20 THR O 2.07 155.1 140.7 -108.5 1.000 -0.925 core.scoring.hbonds.HBondSet: #D 25 GLN N D 21 ILE O 1.56 132.7 142.6 -9.3 1.000 -0.001 core.scoring.hbonds.HBondSet: #D 26 ASN N D 21 ILE O 2.41 136.2 146.1 167.6 1.000 -0.601 core.scoring.hbonds.HBondSet: #D 149 ARG NE D 22 GLN O 2.12 139.8 117.6 63.3 0.835 -0.464 core.scoring.hbonds.HBondSet: #D 149 ARG NH2D 22 GLN O 2.01 139.9 146.0 137.3 0.835 -0.652 core.scoring.hbonds.HBondSet: #D 29 VAL N D 27 HIS O 2.47 111.1 116.9 -152.8 1.000 -0.086 core.scoring.hbonds.HBondSet: #D 59 ALA N D 37 GLU OE1 2.23 169.0 99.2 -26.6 0.647 -0.979 core.scoring.hbonds.HBondSet: #D 57 ASP N D 38 ASP O 2.02 159.9 148.4 112.1 1.000 -1.038 core.scoring.hbonds.HBondSet: #D 40 TYR N D 55 ILE O 1.66 150.7 149.5 -0.6 1.000 -0.730 core.scoring.hbonds.HBondSet: #D 55 ILE N D 40 TYR O 1.94 155.8 135.9 -80.6 1.000 -0.876 core.scoring.hbonds.HBondSet: #D 41 ARG NH2D 54 ASP OD1 2.11 156.8 122.7 133.7 0.647 -1.186 core.scoring.hbonds.HBondSet: #D 42 LYS N D 53 LEU O 2.24 133.2 129.7 31.0 1.000 -0.930 core.scoring.hbonds.HBondSet: #D 53 LEU N D 42 LYS O 1.82 169.1 144.4 75.9 1.000 -0.975 core.scoring.hbonds.HBondSet: #D 42 LYS NZ D 157 TYR OH 2.05 139.6 157.2 168.5 0.812 -0.099 core.scoring.hbonds.HBondSet: #D 44 VAL N D 51 CYS O 1.90 142.6 139.5 2.6 1.000 -1.373 core.scoring.hbonds.HBondSet: #D 51 CYS N D 44 VAL O 1.71 161.1 161.3 18.3 1.000 -0.780 core.scoring.hbonds.HBondSet: #D 46 ILE N D 49 GLU O 1.90 136.6 145.3 -57.8 1.000 -0.553 core.scoring.hbonds.HBondSet: #D 49 GLU N D 46 ILE O 2.00 157.3 116.2 99.9 1.000 -0.922 core.scoring.hbonds.HBondSet: #D 164 ARG NH2D 46 ILE O 2.07 136.9 109.4 -56.9 0.765 -0.451 core.scoring.hbonds.HBondSet: #D 161 ARG NE D 47 ASP OD2 1.82 167.5 111.8 -159.4 0.718 -1.487 core.scoring.hbonds.HBondSet: #D 161 ARG NH2D 47 ASP OD1 1.72 157.2 113.8 147.4 0.718 -1.127 core.scoring.hbonds.HBondSet: #D 164 ARG NH1D 47 ASP OD2 2.23 122.1 98.1 -39.4 0.647 -0.042 core.scoring.hbonds.HBondSet: #D 164 ARG NE D 49 GLU OE1 2.08 121.5 136.8 -92.4 0.765 -0.014 core.scoring.hbonds.HBondSet: #D 164 ARG NH2D 49 GLU OE1 1.40 140.1 138.2 49.8 0.765 -0.005 core.scoring.hbonds.HBondSet: #D 70 GLN N D 67 MET O 2.17 136.5 115.0 -98.6 1.000 -0.317 core.scoring.hbonds.HBondSet: #D 72 MET N D 68 ARG O 1.99 166.7 160.7 -170.5 1.000 -1.316 core.scoring.hbonds.HBondSet: #D 102 ARG NH1D 69 ASP OD2 2.19 136.9 124.8 139.4 0.459 -0.823 core.scoring.hbonds.HBondSet: #D 73 ARG N D 69 ASP O 1.97 140.8 139.1 -103.9 1.000 -0.550 core.scoring.hbonds.HBondSet: #D 74 THR N D 70 GLN O 2.16 137.2 131.6 -177.7 1.000 -1.376 core.scoring.hbonds.HBondSet: #D 75 GLY N D 72 MET O 2.38 158.1 105.7 -99.7 1.000 -0.419 core.scoring.hbonds.HBondSet: #D 78 PHE N D 110 PRO O 2.05 157.7 144.7 -143.1 1.000 -1.368 core.scoring.hbonds.HBondSet: #D 112 VAL N D 78 PHE O 2.10 143.2 152.5 -172.7 1.000 -1.029 core.scoring.hbonds.HBondSet: #D 114 VAL N D 80 CYS O 1.72 164.9 149.5 117.5 1.000 -0.741 core.scoring.hbonds.HBondSet: #D 80 CYS N D 112 VAL O 1.95 161.0 172.9 34.9 1.000 -0.982 core.scoring.hbonds.HBondSet: #D 82 PHE N D 114 VAL O 2.03 167.4 170.3 75.0 1.000 -1.069 core.scoring.hbonds.HBondSet: #D 116 ASN N D 82 PHE O 2.12 146.4 173.7 -3.8 1.000 -0.636 core.scoring.hbonds.HBondSet: #D 86 ASN N D 83 ALA O 2.54 144.5 114.1 -111.9 1.000 -0.035 core.scoring.hbonds.HBondSet: #D 83 ALA N D 89 SER OG 2.11 146.5 117.3 152.5 0.976 -1.646 core.scoring.hbonds.HBondSet: #D 124 THR N D 84 ILE O 1.93 160.3 139.9 136.2 1.000 -1.379 core.scoring.hbonds.HBondSet: #D 125 VAL N D 84 ILE O 2.05 139.0 162.4 -12.1 1.000 -0.670 core.scoring.hbonds.HBondSet: #D 84 ILE N D 116 ASN O 1.94 147.6 177.3 -97.9 1.000 -0.661 core.scoring.hbonds.HBondSet: #D 89 SER N D 86 ASN OD1 2.00 161.6 108.1 -98.8 0.906 -0.997 core.scoring.hbonds.HBondSet: #D 90 PHE N D 86 ASN O 2.32 158.0 145.2 -158.1 1.000 -1.243 core.scoring.hbonds.HBondSet: #D 91 GLU N D 87 THR O 1.78 158.6 144.7 -139.2 1.000 -1.110 core.scoring.hbonds.HBondSet: #D 88 LYS NZ D 91 GLU OE1 2.12 150.6 156.0 -89.7 0.459 -0.167 core.scoring.hbonds.HBondSet: #D 92 ASP N D 88 LYS O 1.73 149.1 145.6 -122.1 1.000 -0.547 core.scoring.hbonds.HBondSet: #D 93 ILE N D 90 PHE O 2.03 147.4 105.4 -96.7 1.000 -0.527 core.scoring.hbonds.HBondSet: #D 94 HIS N D 91 GLU O 2.28 154.2 119.5 -110.3 1.000 -0.747 core.scoring.hbonds.HBondSet: #D 95 GLN N D 92 ASP O 1.97 143.9 112.2 -97.6 1.000 -0.551 core.scoring.hbonds.HBondSet: #D 96 TYR N D 92 ASP O 2.30 161.1 156.2 175.1 1.000 -1.118 core.scoring.hbonds.HBondSet: #D 97 ARG N D 93 ILE O 2.05 176.1 164.5 -98.8 1.000 -1.133 core.scoring.hbonds.HBondSet: #D 98 GLU N D 94 HIS O 2.48 142.6 122.3 -120.3 1.000 -0.261 core.scoring.hbonds.HBondSet: #D 99 GLN N D 95 GLN O 1.99 161.3 153.0 -125.4 1.000 -1.136 core.scoring.hbonds.HBondSet: #D 100 ILE N D 96 TYR O 1.87 177.4 169.1 -152.0 1.000 -1.131 core.scoring.hbonds.HBondSet: #D 101 LYS N D 97 ARG O 1.86 167.3 142.3 -115.0 1.000 -1.108 core.scoring.hbonds.HBondSet: #D 102 ARG N D 98 GLU O 2.22 125.0 130.7 -126.1 1.000 -0.337 core.scoring.hbonds.HBondSet: #D 102 ARG N D 99 GLN O 2.09 133.2 99.1 -93.1 1.000 -0.018 core.scoring.hbonds.HBondSet: #D 103 VAL N D 99 GLN O 1.88 169.2 172.6 -128.9 1.000 -1.037 core.scoring.hbonds.HBondSet: #D 104 LYS N D 100 ILE O 1.81 170.9 160.9 -48.5 1.000 -1.038 core.scoring.hbonds.HBondSet: #D 106 SER N D 101 LYS O 2.55 140.0 125.9 -41.0 1.000 -0.377 core.scoring.hbonds.HBondSet: #D 108 ASP N D 106 SER OG 2.21 137.3 143.4 13.5 0.459 -0.092 core.scoring.hbonds.HBondSet: #D 142 ILE N D 113 LEU O 2.18 165.5 165.0 143.8 1.000 -1.054 core.scoring.hbonds.HBondSet: #D 113 LEU N D 140 PRO O 1.99 168.8 165.8 -121.5 1.000 -1.121 core.scoring.hbonds.HBondSet: #D 144 THR N D 115 GLY O 2.05 151.3 119.0 102.4 1.000 -0.815 core.scoring.hbonds.HBondSet: #D 115 GLY N D 142 ILE O 2.14 152.6 145.4 126.2 1.000 -0.985 core.scoring.hbonds.HBondSet: #D 117 LYS N D 116 ASN OD1 1.95 135.6 102.0 -56.4 1.000 -0.502 core.scoring.hbonds.HBondSet: #D 146 ALA N D 116 ASN OD1 2.50 148.1 139.3 174.2 1.000 -0.040 core.scoring.hbonds.HBondSet: #D 120 LEU N D 117 LYS O 1.73 153.1 140.1 -82.7 1.000 -0.460 core.scoring.hbonds.HBondSet: #D 117 LYS N D 144 THR O 2.23 116.8 127.4 -123.2 1.000 -0.076 core.scoring.hbonds.HBondSet: #D 118 CYS N D 144 THR O 1.88 157.5 150.5 118.9 1.000 -0.964 core.scoring.hbonds.HBondSet: #D 123 ARG NE D 125 VAL O 1.82 128.0 130.3 143.5 0.624 -0.648 core.scoring.hbonds.HBondSet: #D 130 ALA N D 126 GLU O 2.57 166.7 149.2 -153.7 1.000 -0.741 core.scoring.hbonds.HBondSet: #D 128 ARG NH2D 127 SER OG 2.10 123.3 96.6 53.1 0.412 -0.055 core.scoring.hbonds.HBondSet: #D 131 GLN N D 127 SER O 1.81 150.8 149.5 -138.0 1.000 -0.911 core.scoring.hbonds.HBondSet: #D 132 ASP N D 128 ARG O 1.96 143.7 138.7 -118.4 1.000 -0.770 core.scoring.hbonds.HBondSet: #D 133 LEU N D 129 GLN O 2.05 154.0 149.6 -123.9 1.000 -1.006 core.scoring.hbonds.HBondSet: #D 134 ALA N D 130 ALA O 2.04 172.6 153.4 -117.2 1.000 -1.210 core.scoring.hbonds.HBondSet: #D 135 ARG N D 131 GLN O 2.00 157.8 139.8 -105.8 1.000 -0.974 core.scoring.hbonds.HBondSet: #D 136 SER N D 132 ASP O 1.90 143.1 135.1 -132.5 1.000 -0.952 core.scoring.hbonds.HBondSet: #D 137 TYR N D 133 LEU O 1.93 138.5 144.3 -145.7 1.000 -0.923 core.scoring.hbonds.HBondSet: #D 138 GLY N D 134 ALA O 2.06 114.7 140.4 -145.1 1.000 -0.403 core.scoring.hbonds.HBondSet: #D 139 ILE N D 134 ALA O 1.90 169.0 134.7 69.1 1.000 -1.158 core.scoring.hbonds.HBondSet: #D 138 GLY N D 135 ARG O 2.19 144.5 99.6 -80.6 1.000 -0.216 core.scoring.hbonds.HBondSet: #D 141 TYR OH D 143 GLU OE2 1.45 141.9 141.2 32.0 0.906 -0.834 core.scoring.hbonds.HBondSet: #D 148 THR N D 145 SER OG 2.21 162.4 109.0 -94.6 0.718 -1.869 core.scoring.hbonds.HBondSet: #D 145 SER N D 150 GLN O 2.05 157.8 160.0 -28.2 1.000 -1.124 core.scoring.hbonds.HBondSet: #D 149 ARG N D 145 SER O 2.27 108.0 131.2 -130.5 1.000 0.000 core.scoring.hbonds.HBondSet: #D 150 GLN N D 148 THR OG1 2.01 159.2 116.7 54.1 0.553 -1.978 core.scoring.hbonds.HBondSet: #D 152 VAL N D 149 ARG O 2.08 167.7 133.5 -113.0 1.000 -1.205 core.scoring.hbonds.HBondSet: #D 149 ARG NH1D 153 GLU OE2 1.72 139.9 116.1 110.6 0.624 -0.269 core.scoring.hbonds.HBondSet: #D 149 ARG NH2D 153 GLU OE2 2.14 128.3 171.8 -38.7 0.624 -0.141 core.scoring.hbonds.HBondSet: #D 155 ALA N D 151 GLY O 2.21 144.4 149.7 -122.7 1.000 -0.640 core.scoring.hbonds.HBondSet: #D 156 PHE N D 152 VAL O 2.49 164.9 140.1 -133.1 1.000 -0.831 core.scoring.hbonds.HBondSet: #D 157 TYR N D 153 GLU O 1.61 176.4 168.7 -139.5 1.000 -0.343 core.scoring.hbonds.HBondSet: #D 159 LEU N D 155 ALA O 2.52 140.7 130.8 -124.7 1.000 -0.182 core.scoring.hbonds.HBondSet: #D 160 VAL N D 156 PHE O 2.09 159.7 161.6 -154.7 1.000 -1.128 core.scoring.hbonds.HBondSet: #D 161 ARG N D 157 TYR O 2.63 167.6 136.4 -88.2 1.000 -0.115 core.scoring.hbonds.HBondSet: #D 162 GLU N D 158 THR O 2.14 149.2 143.1 -142.7 1.000 -1.147 core.scoring.hbonds.HBondSet: #D 163 ILE N D 159 LEU O 1.94 160.5 153.2 -126.9 1.000 -1.117 core.scoring.hbonds.HBondSet: #D 164 ARG N D 160 VAL O 1.61 159.8 154.1 -143.4 1.000 -0.367 core.scoring.hbonds.HBondSet: #D 165 GLN N D 161 ARG O 1.72 164.1 141.9 -98.0 1.000 -0.642 core.scoring.hbonds.HBondSet: #D 166 HIS N D 162 GLU O 1.79 161.8 144.1 -107.5 1.000 -0.839 core.scoring.hbonds.HBondSet: #D 167 LYS N D 163 ILE O 1.99 160.5 154.2 -112.8 1.000 -1.029 core.scoring.hbonds.HBondSet: #D 168 LEU N D 165 GLN O 2.12 141.5 110.2 -100.9 1.000 -0.446 core.scoring.hbonds.HBondSet: #D 169 ARG N D 166 HIS O 1.83 168.3 146.2 -120.5 1.000 -1.104 core.scoring.hbonds.HBondSet: #D 170 LYS N D 167 LYS O 2.34 150.5 125.7 -124.0 1.000 -0.782 #Dch Dn Dres Da Ach An Ares Aa length AHDang BAHang BAtor weight energy #A 24 ILE N A 20 THR O 2.08 160.5 165.8 117.0 1.000 -0.979 core.import_pose.import_pose: File '../test/data/workshops/1YY9.clean.pdb' automatically determined to be of type PDB core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLU:NtermProteinFull 1 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU:NtermProteinFull 1 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU:NtermProteinFull 1 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU:NtermProteinFull 1 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLU 2 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 2 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 2 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 2 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue LYS 3 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 3 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 3 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 3 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLN 138 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLN 138 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLN 138 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue GLN 138 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLU 179 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 179 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 179 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 179 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLN 192 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLN 192 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLN 192 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue GLN 192 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLN 193 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLN 193 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLN 193 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue GLN 193 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLU 220 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 220 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 220 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 220 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLU 257 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 257 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 257 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 257 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue ARG 272 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 272 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 272 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 272 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 272 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 272 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue ARG 299 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 299 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 299 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 299 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 299 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 299 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue ARG 502 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 502 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 502 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 502 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 502 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 502 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLU 518 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 518 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 518 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 518 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLU 520 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 520 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 520 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 520 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue ARG 522 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 522 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 522 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 522 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 522 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 522 core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue THR:CtermProteinFull 613 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue ARG 631 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 631 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 631 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 631 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 631 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 631 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue LYS 739 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 739 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 739 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 739 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue LYS 801 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 801 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 801 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 801 core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue ARG:CtermProteinFull 824 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue ARG:CtermProteinFull 824 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG:CtermProteinFull 824 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG:CtermProteinFull 824 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG:CtermProteinFull 824 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG:CtermProteinFull 824 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG:CtermProteinFull 824 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue LYS 959 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 959 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 959 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 959 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue LYS 1039 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 1039 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 1039 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 1039 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue ARG 1040 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 1040 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 1040 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 1040 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 1040 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 1040 core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LYS:CtermProteinFull 1044 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue LYS:CtermProteinFull 1044 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS:CtermProteinFull 1044 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS:CtermProteinFull 1044 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS:CtermProteinFull 1044 core.conformation.Conformation: Found disulfide between residues 6 33 core.conformation.Conformation: Found disulfide between residues 132 162 core.conformation.Conformation: Found disulfide between residues 165 174 core.conformation.Conformation: Found disulfide between residues 169 182 core.conformation.Conformation: Found disulfide between residues 190 198 core.conformation.Conformation: Found disulfide between residues 194 206 core.conformation.Conformation: Found disulfide between residues 207 215 core.conformation.Conformation: Found disulfide between residues 211 223 core.conformation.Conformation: Found disulfide between residues 226 235 core.conformation.Conformation: Found disulfide between residues 239 266 core.conformation.Conformation: Found disulfide between residues 270 282 core.conformation.Conformation: Found disulfide between residues 286 301 core.conformation.Conformation: Found disulfide between residues 304 308 core.conformation.Conformation: Found disulfide between residues 312 337 core.conformation.Conformation: Found disulfide between residues 445 474 core.conformation.Conformation: Found disulfide between residues 481 490 core.conformation.Conformation: Found disulfide between residues 485 498 core.conformation.Conformation: Found disulfide between residues 501 510 core.conformation.Conformation: Found disulfide between residues 514 530 core.conformation.Conformation: Found disulfide between residues 533 546 core.conformation.Conformation: Found disulfide between residues 537 554 core.conformation.Conformation: Found disulfide between residues 557 566 core.conformation.Conformation: Found disulfide between residues 570 592 core.conformation.Conformation: Found disulfide between residues 595 603 core.conformation.Conformation: Found disulfide between residues 599 611 core.conformation.Conformation: Found disulfide between residues 636 701 core.conformation.Conformation: Found disulfide between residues 747 807 core.conformation.Conformation: Found disulfide between residues 846 919 core.conformation.Conformation: Found disulfide between residues 970 1026 core.pack.pack_missing_sidechains: packing residue number 1 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 2 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 3 because of missi┌──────────────────────────────────────────────────────────────────────────────┐ │ PyRosetta-4 │ │ Created in JHU by Sergey Lyskov and PyRosetta Team │ │ (C) Copyright Rosetta Commons Member Institutions │ │ │ │ NOTE: USE OF PyRosetta FOR COMMERCIAL PURPOSES REQUIRE PURCHASE OF A LICENSE │ │ See LICENSE.PyRosetta.md or email license@uw.edu for details │ └──────────────────────────────────────────────────────────────────────────────┘ PyRosetta-4 2024 [Rosetta devel 2024.35.post.dev+5.HEAD.c9abca83f0a4dd927aceaa98f4ceeb8708e10f37 2024-09-07T17:30:08] retrieved from: git@github.com:RosettaCommons/rosetta.git ScoreFunction::show(): weights: (fa_atr 1) (fa_rep 0.55) (fa_sol 1) (fa_intra_rep 0.005) (fa_intra_sol_xover4 1) (lk_ball_wtd 1) (fa_elec 1) (pro_close 1.25) (hbond_sr_bb 1) (hbond_lr_bb 1) (hbond_bb_sc 1) (hbond_sc 1) (dslf_fa13 1.25) (omega 0.4) (fa_dun 0.7) (p_aa_pp 0.6) (yhh_planarity 0.625) (ref 1) (rama_prepro 0.45) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: EnergyMethodOptions::show: mhc_epitope_setup_files: EnergyMethodOptions::show: netcharge_setup_files: EnergyMethodOptions::show: aspartimide_penalty_value: 25 EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 1.32468 3.25479 -2.14574 -2.72453 1.21829 0.79816 -0.30065 2.30374 -0.71458 1.66147 1.65735 -1.34026 -1.64321 -1.45095 -0.09474 -0.28969 1.15175 2.64269 2.26099 0.58223 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid EnergyMethodOptions::show: covalent_labeling_input: EnergyMethodOptions::show: covalent_labeling_fa_input: EnergyMethodOptions::show: hrf_dynamics_input: EnergyMethodOptions::show: depc_ms_input: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false EnergyMethodOptions::show: exclude_monomer_fa_elec: false EnergyMethodOptions::show: elec_max_dis: 5.5 EnergyMethodOptions::show: elec_min_dis: 1.6 EnergyMethodOptions::show: elec_die: 10 EnergyMethodOptions::show: elec_no_dis_dep_die: false EnergyMethodOptions::show: elec_sigmoidal_die: true EnergyMethodOptions::show: elec_sigmoidal_D: 80 EnergyMethodOptions::show: elec_sigmoidal_D0: 6 EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 EnergyMethodOptions::show: smooth_fa_elec: true EnergyMethodOptions::show: grpelec_fade_type: false EnergyMethodOptions::show: grpelec_fade_param1: 1 EnergyMethodOptions::show: grpelec_fade_param2: 1 EnergyMethodOptions::show: grpelec_fade_hbond: 0 EnergyMethodOptions::show: grp_cpfxn: 1 EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat EnergyMethodOptions::show: grpelec_context_dependent: 0 EnergyMethodOptions::show: use_polarization: true EnergyMethodOptions::show: use_gen_kirkwood: true EnergyMethodOptions::show: protein_dielectric: 1 EnergyMethodOptions::show: water_dielectric: 78.3 EnergyMethodOptions::show: exclude_DNA_DNA: false EnergyMethodOptions::show: exclude_intra_res_protein: false EnergyMethodOptions::show: count_pair_hybrid: false EnergyMethodOptions::show: count_pair_full: false EnergyMethodOptions::show: put_intra_into_total: false EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true EnergyMethodOptions::show: eval_intrares_elec_ST_only: false EnergyMethodOptions::show: envsmooth_zero_negatives: false EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 EnergyMethodOptions::show: pb_bound_tag: bound EnergyMethodOptions::show: pb_unbound_tag: unbound EnergyMethodOptions::show: arg_cation_pi_his_can_be_pi: 1 EnergyMethodOptions::show: ordered_wat_penalty: 1.221 EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 EnergyMethodOptions::show: nmer_ref_seq_length_: 9 EnergyMethodOptions::show: nmer_svm_term_length_: 3 EnergyMethodOptions::show: nmer_svm_pssm_feat_: 1 EnergyMethodOptions::show: nmer_svm_scorecut_defined_: 0 EnergyMethodOptions::show: nmer_svm_scorecut_: 0 EnergyMethodOptions::show: nmer_svm_avg_rank_as_energy_: 0 EnergyMethodOptions::show: nmer_svm_aa_matrix_defined_: 0 EnergyMethodOptions::show: nmer_svm_aa_matrix_: EnergyMethodOptions::show: nmer_svm_list_defined_: 0 EnergyMethodOptions::show: nmer_svm_list_: EnergyMethodOptions::show: nmer_svm_defined_: 0 EnergyMethodOptions::show: nmer_svm_: EnergyMethodOptions::show: nmer_svm_rank_list_defined_: 0 EnergyMethodOptions::show: nmer_svm_rank_list_: EnergyMethodOptions::show: nmer_svm_rank_defined_: 0 EnergyMethodOptions::show: nmer_svm_rank_: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" EnergyMethodOptions::show: hbnet_max_network_size_: 0 EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 EnergyMethodOptions::show: approximate_buried_unsat_penalty_natural_corrections1_:0 EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_bonus_cross_chain_:0 EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_bonus_ser_to_helix_bb_:0 EnergyMethodOptions::show: approximate_buried_unsat_penalty_lys_ok_with_1_:0 EnergyMethodOptions::show: target_clash_pdb_: EnergyMethodOptions::show: dump_trajectory_prefix_: traj EnergyMethodOptions::show: dump_trajectory_gz_: FALSE EnergyMethodOptions::show: dump_trajectory_stride_: 1 EnergyMethodOptions::show: bond_angle_central_atoms_to_score: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none HBondOptions::show: hb_max_energy: 0 HBondOptions::show: exclude_DNA_DNA: false HBondOptions::show: exclude_intra_res_protein_: false HBondOptions::show: exclude_intra_res_RNA_: false HBondOptions::show: put_intra_into_total_: false HBondOptions::show: exclude_self_hbonds: true HBondOptions::show: use_hb_env_dep: false HBondOptions::show: use_hb_env_dep_DNA: true HBondOptions::show: smooth_hb_env_dep: true HBondOptions::show: bb_donor_acceptor_check: true HBondOptions::show: decompose_bb_hb_into_pair_energies: false HBondOptions::show: params_database_tag_: ref2015_params HBondOptions::show: use_sp2_chi_penalty_: true HBondOptions::show: sp2_BAH180_rise_: 0.75 HBondOptions::show: sp2_outer_width_: 0.357 HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true HBondOptions::show: fade_energy_: 1 HBondOptions::show: exclude_ether_oxygens_: 0 HBondOptions::show: Mbhbond: false HbondOptions::show: mphbond: false HBondOptions::show: hbond_energy_shift: 0 HBondOptions::show: water_hybrid_sf: false RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat FreeDOF_Options::show: free_suite_bonus: -1 FreeDOF_Options::show: free_2HOprime_bonus: -0.5 FreeDOF_Options::show: free_sugar_bonus: -1 FreeDOF_Options::show: pack_phosphate_penalty: 0.25 FreeDOF_Options::show: free_side_chain_bonus: -0.5 3775.511735150729 None 926 407 -1.2098840439684349 0.10835353848860374 1.5729435146961963 ng atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 138 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 179 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 192 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 193 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 220 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 257 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 272 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 299 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 502 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 518 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 520 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 522 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 631 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 739 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 801 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 824 because of missing atom number 7 atom name CG core.pack.pack_missing_sidechains: packing residue number 959 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 1039 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 1040 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 1044 because of missing atom number 7 atom name CG core.pack.task: Packer task: initialize from command line() core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015 core.pack.pack_rotamers: built 313 rotamers at 23 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph Finished Workshop3test in 0:00:11.648642

Workshop3test sub-test description