Branch: rosetta:commits 「revision: №20478」
Test: linux.gcc.mpi.serialization.integration.mpi
SubTest: threefold_symm_peptide_design
SubTest files: 「file-system-view」
Daemon: hojo-1    
State: threefold_symm_peptide_design

Brief Diff: Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/mpi_log_1.filt and /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/mpi_log_3.filt and /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/S_0001.pdb and /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/S_0001.pdb differ Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/S_0003.pdb and /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/S_0003.pdb differ Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/score_sorted.sc and /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/score_sorted.sc differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/mpi_log_1.filt /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/mpi_log_1.filt 1055,1059c1055,1059 < fa_atr 1.000 -250.595 -250.595 < fa_rep 0.550 63.338 34.836 < fa_sol 0.938 176.442 165.414 < fa_intra_rep 0.005 100.015 0.500 < fa_elec 0.875 -30.285 -26.499 --- > fa_atr 1.000 -250.599 -250.599 > fa_rep 0.550 63.351 34.843 > fa_sol 0.938 176.446 165.418 > fa_intra_rep 0.005 100.014 0.500 > fa_elec 0.875 -30.289 -26.503 1072c1072 < fa_dun 0.700 113.064 79.145 --- > fa_dun 0.700 113.061 79.143 1157c1157 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -64.7979 0 0 0.03245 --- > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -64.8044 0 0 0.03245 1161,1167c1161,1168 < core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRDDLRRLVDCIRLLRDPRDX, best_energy: -128.131 < protocols.relax.FastRelax: (1) CMD: repack -120.953 0 0 0.03245 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -112.348 0 0 0.0506 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 3.8147e-06 Deriv= -0.0305705 Finite Diff= 0.0206721 < protocols.relax.FastRelax: (1) CMD: min -152.41 0.827457 0.827457 0.0506 < protocols.relax.FastRelax: (1) CMD: coord_cst_weight -152.41 0.827457 0.827457 0.0506 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -121.132 0.827457 0.827457 0.154 --- > core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRDDLRRLVDCIRLLRDPRDX, best_energy: -128.136 > protocols.relax.FastRelax: (1) CMD: repack -120.958 0 0 0.03245 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -112.353 0 0 0.0506 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 1.90735e-06 Deriv= -0.0536689 Finite Diff= 0.0142556 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 4.33152e-09 Deriv= -1.57197 Finite Diff= -0.000459312 > protocols.relax.FastRelax: (1) CMD: min -152.428 0.83245 0.83245 0.0506 > protocols.relax.FastRelax: (1) CMD: coord_cst_weight -152.428 0.83245 0.83245 0.0506 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -121.041 0.83245 0.83245 0.154 1171,1177c1172,1177 < core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRPDLRRLVDCIRLLRDPRDX, best_energy: -128.365 < protocols.relax.FastRelax: (1) CMD: repack -128.275 0.827457 0.827457 0.154 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -121.592 0.827457 0.827457 0.17765 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 1.90735e-06 Deriv= -0.0991857 Finite Diff= 0.117627 < protocols.relax.FastRelax: (1) CMD: min -132.008 1.14532 1.14532 0.17765 < protocols.relax.FastRelax: (1) CMD: coord_cst_weight -132.008 1.14532 1.14532 0.17765 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -113.619 1.14532 1.14532 0.3124 --- > core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRPDLRRLVDCIRLLRDPRDX, best_energy: -128.314 > protocols.relax.FastRelax: (1) CMD: repack -128.229 0.83245 0.83245 0.154 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -121.531 0.83245 0.83245 0.17765 > protocols.relax.FastRelax: (1) CMD: min -131.382 1.11579 1.11579 0.17765 > protocols.relax.FastRelax: (1) CMD: coord_cst_weight -131.382 1.11579 1.11579 0.17765 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -112.82 1.11579 1.11579 0.3124 1179c1179 < core.pack.pack_rotamers: (1) built 474 rotamers at 21 positions. --- > core.pack.pack_rotamers: (1) built 465 rotamers at 21 positions. 1181,1190c1181,1189 < core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRPDLRRLRDCIRLLRLPDDX, best_energy: -113.811 < protocols.relax.FastRelax: (1) CMD: repack -114.262 1.14532 1.14532 0.3124 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -109.449 1.14532 1.14532 0.34815 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 9.53674e-09 Deriv= -2006.83 Finite Diff= 446.836 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 4.18367e-09 Deriv= -395.283 Finite Diff= 85.3704 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 5.9462e-07 Deriv= -164.627 Finite Diff= -11.8631 < core.optimization.Minimizer: (1) Line search failed even after resetting Hessian; aborting at iter#8 < protocols.relax.FastRelax: (1) CMD: min -109.463 1.14535 1.14535 0.34815 < protocols.relax.FastRelax: (1) CMD: coord_cst_weight -109.463 1.14535 1.14535 0.34815 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -82.3779 1.14535 1.14535 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRPDLRRLVDCIRLLRLPDDX, best_energy: -111.183 > protocols.relax.FastRelax: (1) CMD: repack -110.98 1.11579 1.11579 0.3124 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -106.063 1.11579 1.11579 0.34815 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 4.76837e-09 Deriv= -412.497 Finite Diff= 117.106 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 7.86092e-07 Deriv= -94.1963 Finite Diff= 9.43017 > core.optimization.Minimizer: (1) Line search failed even after resetting Hessian; aborting at iter#4 > protocols.relax.FastRelax: (1) CMD: min -106.068 1.11564 1.11564 0.34815 > protocols.relax.FastRelax: (1) CMD: coord_cst_weight -106.068 1.11564 1.11564 0.34815 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -78.3568 1.11564 1.11564 0.55 1192c1191 < core.pack.pack_rotamers: (1) built 453 rotamers at 21 positions. --- > core.pack.pack_rotamers: (1) built 460 rotamers at 21 positions. 1194,1205c1193,1199 < core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: DRPDLRDLLRCLDLLRLPRDX, best_energy: -79.867 < protocols.relax.FastRelax: (1) CMD: repack -79.7844 1.14535 1.14535 0.55 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 4.76837e-07 Deriv= -0.10868 Finite Diff= 0.0672272 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 2.08562e-08 Deriv= -1.1317 Finite Diff= 9.50179 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 6.91643e-09 Deriv= -2.4541 Finite Diff= 17.2759 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 2.83491e-09 Deriv= -0.129569 Finite Diff= 0.948634 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 1.67908e-06 Deriv= -20.6461 Finite Diff= -0.388696 < core.optimization.Minimizer: (1) Line search failed even after resetting Hessian; aborting at iter#74 < protocols.relax.FastRelax: (1) CMD: min -111.042 1.37981 1.37981 0.55 < protocols.relax.FastRelax: (1) MRP: 0 -111.042 -111.042 1.37981 1.37981 < protocols.relax.FastRelax: (1) CMD: accept_to_best -111.042 1.37981 1.37981 0.55 < protocols.relax.FastRelax: (1) CMD: endrepeat -111.042 1.37981 1.37981 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: DRPDLRDLLRCLDLLRLPRDX, best_energy: -81.2527 > protocols.relax.FastRelax: (1) CMD: repack -81.0812 1.11564 1.11564 0.55 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 9.53674e-07 Deriv= -0.0785125 Finite Diff= 0.00601795 > protocols.relax.FastRelax: (1) CMD: min -111.28 1.31946 1.31946 0.55 > protocols.relax.FastRelax: (1) MRP: 0 -111.28 -111.28 1.31946 1.31946 > protocols.relax.FastRelax: (1) CMD: accept_to_best -111.28 1.31946 1.31946 0.55 > protocols.relax.FastRelax: (1) CMD: endrepeat -111.28 1.31946 1.31946 0.55 1211,1217c1205,1211 < fa_atr 1.000 -279.893 -279.893 < fa_rep 0.550 56.276 30.952 < fa_sol 0.938 166.984 156.547 < fa_intra_rep 0.005 104.137 0.521 < fa_elec 0.875 -38.079 -33.319 < pro_close 1.250 0.117 0.147 < hbond_sr_bb 1.170 -23.805 -27.852 --- > fa_atr 1.000 -280.078 -280.078 > fa_rep 0.550 56.202 30.911 > fa_sol 0.938 166.898 156.467 > fa_intra_rep 0.005 108.060 0.540 > fa_elec 0.875 -35.820 -31.342 > pro_close 1.250 0.118 0.148 > hbond_sr_bb 1.170 -23.871 -27.929 1219,1220c1213,1214 < hbond_bb_sc 1.170 -1.329 -1.555 < hbond_sc 1.100 -4.255 -4.680 --- > hbond_bb_sc 1.170 -1.359 -1.590 > hbond_sc 1.100 -3.309 -3.640 1222c1216 < atom_pair_constraint 0.333 0.020 0.007 --- > atom_pair_constraint 0.333 0.018 0.006 1224,1229c1218,1223 < angle_constraint 0.333 0.011 0.004 < dihedral_constraint 0.333 10.418 3.469 < rama 0.250 -22.242 -5.561 < omega 0.625 8.441 5.276 < fa_dun 0.700 106.161 74.313 < p_aa_pp 0.400 -17.284 -6.914 --- > angle_constraint 0.333 0.002 0.001 > dihedral_constraint 0.333 10.372 3.454 > rama 0.250 -23.037 -5.759 > omega 0.625 7.545 4.716 > fa_dun 0.700 103.170 72.219 > p_aa_pp 0.400 -17.248 -6.899 1233c1227 < Total weighted score: -111.042 --- > Total weighted score: -111.280 1247c1241 < protocols.rosetta_scripts.ParsedProtocol: (1) Set filter value for bad_linker_filter to: 3.47952 --- > protocols.rosetta_scripts.ParsedProtocol: (1) Set filter value for bad_linker_filter to: 3.46033 1249c1243 < protocols.rosetta_scripts.ParsedProtocol.REPORT: (1) Weighted score of total_score 3.47952 --- > protocols.rosetta_scripts.ParsedProtocol.REPORT: (1) Weighted score of total_score 3.46033 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/mpi_log_3.filt /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/mpi_log_3.filt 977,978c977,978 < fa_atr 1.000 -257.393 -257.393 < fa_rep 0.550 225.406 123.973 --- > fa_atr 1.000 -257.392 -257.392 > fa_rep 0.550 225.405 123.973 988c988 < atom_pair_constraint 0.333 133.493 44.453 --- > atom_pair_constraint 0.333 133.494 44.454 1079c1079 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 8.7768 0 0 0.03245 --- > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 8.77749 0 0 0.03245 1083,1089c1083,1088 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIDDARRARDCVDVVRDPDPX, best_energy: -10.327 < protocols.relax.FastRelax: (3) CMD: repack -8.65559 0 0 0.03245 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4.81516 0 0 0.0506 < core.optimization.LineMinimizer: (3) Inaccurate G in step= 4.76837e-07 Deriv= -0.088316 Finite Diff= 0.0174721 < protocols.relax.FastRelax: (3) CMD: min -108.714 0.723953 0.723953 0.0506 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -108.714 0.723953 0.723953 0.0506 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -69.2075 0.723953 0.723953 0.154 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIDDARRARDCVDVVRDPDPX, best_energy: -10.3267 > protocols.relax.FastRelax: (3) CMD: repack -8.6552 0 0 0.03245 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4.81553 0 0 0.0506 > protocols.relax.FastRelax: (3) CMD: min -107.394 0.667984 0.667984 0.0506 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -107.394 0.667984 0.667984 0.0506 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -68.174 0.667984 0.667984 0.154 1091c1090 < core.pack.pack_rotamers: (3) built 461 rotamers at 21 positions. --- > core.pack.pack_rotamers: (3) built 464 rotamers at 21 positions. 1093,1101c1092,1103 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIPDARRAIRCVDLVRDPDPX, best_energy: -75.7125 < protocols.relax.FastRelax: (3) CMD: repack -76.4522 0.723953 0.723953 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -68.3871 0.723953 0.723953 0.17765 < core.optimization.LineMinimizer: (3) Inaccurate G in step= 3.8147e-06 Deriv= -0.0685921 Finite Diff= 0.0466694 < core.optimization.LineMinimizer: (3) Inaccurate G in step= 1.13824e-06 Deriv= -44.9279 Finite Diff= 5.4914 < core.optimization.Minimizer: (3) Line search failed even after resetting Hessian; aborting at iter#83 < protocols.relax.FastRelax: (3) CMD: min -96.009 0.67253 0.67253 0.17765 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -96.009 0.67253 0.67253 0.17765 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -73.9491 0.67253 0.67253 0.3124 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIPDARRAIRCVDLVRDPDPX, best_energy: -74.083 > protocols.relax.FastRelax: (3) CMD: repack -73.7086 0.667984 0.667984 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -65.668 0.667984 0.667984 0.17765 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 3.8147e-06 Deriv= -0.592696 Finite Diff= -0.0428676 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 3.11036e-09 Deriv= -27.1947 Finite Diff= 106.247 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 6.58212e-09 Deriv= -3.10571 Finite Diff= 8.78515 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 7.54061e-09 Deriv= -2.54567 Finite Diff= 9.17867 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 1.11904e-06 Deriv= -46.4823 Finite Diff= 0.142224 > core.optimization.Minimizer: (3) Line search failed even after resetting Hessian; aborting at iter#40 > protocols.relax.FastRelax: (3) CMD: min -90.352 0.657797 0.657797 0.17765 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -90.352 0.657797 0.657797 0.17765 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -68.5694 0.657797 0.657797 0.3124 1103c1105 < core.pack.pack_rotamers: (3) built 462 rotamers at 21 positions. --- > core.pack.pack_rotamers: (3) built 476 rotamers at 21 positions. 1105,1110c1107,1117 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: DVPDARRAIRCVDLVRDPDPX, best_energy: -74.5666 < protocols.relax.FastRelax: (3) CMD: repack -75.2809 0.67253 0.67253 0.3124 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -69.4522 0.67253 0.67253 0.34815 < protocols.relax.FastRelax: (3) CMD: min -75.1378 0.684991 0.684991 0.34815 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -75.1378 0.684991 0.684991 0.34815 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -52.5643 0.684991 0.684991 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PDPDARRAIRCVDLVRDPDPX, best_energy: -65.6524 > protocols.relax.FastRelax: (3) CMD: repack -66.2012 0.657797 0.657797 0.3124 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -60.2569 0.657797 0.657797 0.34815 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 3.05176e-07 Deriv= -3.02297 Finite Diff= 0.586454 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 4.62855e-09 Deriv= -83.5884 Finite Diff= 50.7442 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 3.75389e-09 Deriv= -51.0692 Finite Diff= 35.3391 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 1.66606e-06 Deriv= -20.97 Finite Diff= 12.5922 > core.optimization.Minimizer: (3) Line search failed even after resetting Hessian; aborting at iter#24 > protocols.relax.FastRelax: (3) CMD: min -63.4793 0.730567 0.730567 0.34815 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -63.4793 0.730567 0.730567 0.34815 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -37.1618 0.730567 0.730567 0.55 1112c1119 < core.pack.pack_rotamers: (3) built 448 rotamers at 21 positions. --- > core.pack.pack_rotamers: (3) built 460 rotamers at 21 positions. 1114,1119c1121,1130 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: DVPDARRAIRCVDLVRDPDPX, best_energy: -51.8761 < protocols.relax.FastRelax: (3) CMD: repack -52.5643 0.684991 0.684991 0.55 < protocols.relax.FastRelax: (3) CMD: min -53.9705 0.729045 0.729045 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -53.9705 -53.9705 0.729045 0.729045 < protocols.relax.FastRelax: (3) CMD: accept_to_best -53.9705 0.729045 0.729045 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -53.9705 0.729045 0.729045 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIPDARRAIRCVDLVRDPDPX, best_energy: -36.7711 > protocols.relax.FastRelax: (3) CMD: repack -37.1002 0.730567 0.730567 0.55 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 9.53674e-07 Deriv= -0.315515 Finite Diff= -0.0192939 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 2.76775e-09 Deriv= -2.79525 Finite Diff= 9.0526 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 2.06147e-06 Deriv= -13.697 Finite Diff= 5.33863 > core.optimization.Minimizer: (3) Line search failed even after resetting Hessian; aborting at iter#57 > protocols.relax.FastRelax: (3) CMD: min -49.0746 0.716713 0.716713 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -49.0746 -49.0746 0.716713 0.716713 > protocols.relax.FastRelax: (3) CMD: accept_to_best -49.0746 0.716713 0.716713 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -49.0746 0.716713 0.716713 0.55 1125,1131c1136,1142 < fa_atr 1.000 -265.618 -265.618 < fa_rep 0.550 99.280 54.604 < fa_sol 0.938 163.323 153.115 < fa_intra_rep 0.005 110.993 0.555 < fa_elec 0.875 -19.069 -16.686 < pro_close 1.250 0.555 0.694 < hbond_sr_bb 1.170 -22.311 -26.104 --- > fa_atr 1.000 -269.028 -269.028 > fa_rep 0.550 103.150 56.733 > fa_sol 0.938 162.339 152.193 > fa_intra_rep 0.005 117.521 0.588 > fa_elec 0.875 -19.274 -16.865 > pro_close 1.250 1.144 1.429 > hbond_sr_bb 1.170 -21.232 -24.842 1133,1134c1144,1145 < hbond_bb_sc 1.170 -0.148 -0.173 < hbond_sc 1.100 -1.853 -2.038 --- > hbond_bb_sc 1.170 -0.368 -0.431 > hbond_sc 1.100 -2.180 -2.398 1136c1147 < atom_pair_constraint 0.333 0.071 0.024 --- > atom_pair_constraint 0.333 0.184 0.061 1138,1143c1149,1154 < angle_constraint 0.333 0.015 0.005 < dihedral_constraint 0.333 10.845 3.611 < rama 0.250 -10.026 -2.507 < omega 0.625 7.114 4.447 < fa_dun 0.700 84.141 58.898 < p_aa_pp 0.400 -20.041 -8.016 --- > angle_constraint 0.333 0.491 0.164 > dihedral_constraint 0.333 11.073 3.687 > rama 0.250 -14.658 -3.665 > omega 0.625 8.289 5.181 > fa_dun 0.700 90.234 63.164 > p_aa_pp 0.400 -15.513 -6.205 1145c1156 < ref 1.000 -8.781 -8.781 --- > ref 1.000 -8.840 -8.840 1147c1158 < Total weighted score: -53.970 --- > Total weighted score: -49.075 1161c1172 < protocols.rosetta_scripts.ParsedProtocol: (3) Set filter value for bad_linker_filter to: 3.64013 --- > protocols.rosetta_scripts.ParsedProtocol: (3) Set filter value for bad_linker_filter to: 3.91229 1163c1174 < protocols.rosetta_scripts.ParsedProtocol.REPORT: (3) Weighted score of total_score 3.64013 --- > protocols.rosetta_scripts.ParsedProtocol.REPORT: (3) Weighted score of total_score 3.91229 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/S_0001.pdb /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/S_0001.pdb 121,477c121,477 < ATOM 1 N ASP A 1 6.027 1.600 -15.387 1.00 0.00 N < ATOM 2 CA ASP A 1 6.564 2.431 -16.458 1.00 0.00 C < ATOM 3 C ASP A 1 6.350 3.911 -16.166 1.00 0.00 C < ATOM 4 O ASP A 1 7.174 4.750 -16.528 1.00 0.00 O < ATOM 5 CB ASP A 1 5.913 2.069 -17.795 1.00 0.00 C < ATOM 6 CG ASP A 1 6.239 0.652 -18.248 1.00 0.00 C < ATOM 7 OD1 ASP A 1 7.400 0.340 -18.369 1.00 0.00 O < ATOM 8 OD2 ASP A 1 5.324 -0.104 -18.470 1.00 0.00 O < ATOM 9 H ASP A 1 5.075 1.268 -15.452 1.00 0.00 H < ATOM 10 HA ASP A 1 7.638 2.254 -16.518 1.00 0.00 H < ATOM 11 1HB ASP A 1 4.831 2.169 -17.712 1.00 0.00 H < ATOM 12 2HB ASP A 1 6.248 2.767 -18.564 1.00 0.00 H < ATOM 13 N ARG A 2 5.162 4.162 -15.476 1.00 0.00 N < ATOM 14 CA ARG A 2 4.867 5.538 -15.096 1.00 0.00 C < ATOM 15 C ARG A 2 5.666 5.954 -13.868 1.00 0.00 C < ATOM 16 O ARG A 2 5.768 5.203 -12.898 1.00 0.00 O < ATOM 17 CB ARG A 2 3.382 5.710 -14.814 1.00 0.00 C < ATOM 18 CG ARG A 2 2.926 7.150 -14.643 1.00 0.00 C < ATOM 19 CD ARG A 2 1.460 7.239 -14.419 1.00 0.00 C < ATOM 20 NE ARG A 2 1.026 8.610 -14.203 1.00 0.00 N < ATOM 21 CZ ARG A 2 0.632 9.450 -15.180 1.00 0.00 C < ATOM 22 NH1 ARG A 2 0.623 9.046 -16.431 1.00 0.00 N < ATOM 23 NH2 ARG A 2 0.255 10.681 -14.880 1.00 0.00 N < ATOM 24 H ARG A 2 4.506 3.433 -15.231 1.00 0.00 H < ATOM 25 HA ARG A 2 5.161 6.187 -15.922 1.00 0.00 H < ATOM 26 1HB ARG A 2 2.805 5.275 -15.628 1.00 0.00 H < ATOM 27 2HB ARG A 2 3.121 5.171 -13.903 1.00 0.00 H < ATOM 28 1HG ARG A 2 3.431 7.592 -13.784 1.00 0.00 H < ATOM 29 2HG ARG A 2 3.171 7.719 -15.541 1.00 0.00 H < ATOM 30 1HD ARG A 2 0.935 6.848 -15.290 1.00 0.00 H < ATOM 31 2HD ARG A 2 1.190 6.654 -13.541 1.00 0.00 H < ATOM 32 HE ARG A 2 1.020 8.957 -13.253 1.00 0.00 H < ATOM 33 1HH1 ARG A 2 0.911 8.105 -16.660 1.00 0.00 H < ATOM 34 2HH1 ARG A 2 0.328 9.676 -17.163 1.00 0.00 H < ATOM 35 1HH2 ARG A 2 0.262 10.992 -13.918 1.00 0.00 H < ATOM 36 2HH2 ARG A 2 -0.040 11.310 -15.611 1.00 0.00 H < ATOM 37 N PRO A 3 6.268 7.156 -13.842 1.00 0.00 N < ATOM 38 CA PRO A 3 7.035 7.607 -12.686 1.00 0.00 C < ATOM 39 C PRO A 3 6.213 7.507 -11.407 1.00 0.00 C < ATOM 40 O PRO A 3 6.742 7.188 -10.342 1.00 0.00 O < ATOM 41 CB PRO A 3 7.362 9.062 -13.035 1.00 0.00 C < ATOM 42 CG PRO A 3 7.416 9.077 -14.525 1.00 0.00 C < ATOM 43 CD PRO A 3 6.310 8.148 -14.949 1.00 0.00 C < ATOM 44 HA PRO A 3 7.901 6.953 -12.579 1.00 0.00 H < ATOM 45 1HB PRO A 3 6.587 9.730 -12.629 1.00 0.00 H < ATOM 46 2HB PRO A 3 8.315 9.356 -12.571 1.00 0.00 H < ATOM 47 1HG PRO A 3 7.275 10.102 -14.900 1.00 0.00 H < ATOM 48 2HG PRO A 3 8.405 8.745 -14.872 1.00 0.00 H < ATOM 49 1HD PRO A 3 5.368 8.709 -15.028 1.00 0.00 H < ATOM 50 2HD PRO A 3 6.569 7.686 -15.913 1.00 0.00 H < ATOM 51 N ASP A 4 4.903 7.772 -11.460 1.00 0.00 N < ATOM 52 CA ASP A 4 3.941 7.679 -10.369 1.00 0.00 C < ATOM 53 C ASP A 4 3.886 6.267 -9.802 1.00 0.00 C < ATOM 54 O ASP A 4 3.924 6.074 -8.586 1.00 0.00 O < ATOM 55 CB ASP A 4 2.548 8.099 -10.845 1.00 0.00 C < ATOM 56 CG ASP A 4 2.437 9.595 -11.108 1.00 0.00 C < ATOM 57 OD1 ASP A 4 3.254 10.329 -10.603 1.00 0.00 O < ATOM 58 OD2 ASP A 4 1.538 9.989 -11.811 1.00 0.00 O < ATOM 59 H ASP A 4 4.497 8.073 -12.335 1.00 0.00 H < ATOM 60 HA ASP A 4 4.268 8.347 -9.572 1.00 0.00 H < ATOM 61 1HB ASP A 4 2.300 7.564 -11.762 1.00 0.00 H < ATOM 62 2HB ASP A 4 1.808 7.821 -10.094 1.00 0.00 H < ATOM 63 N LEU A 5 3.793 5.299 -10.796 1.00 0.00 N < ATOM 64 CA LEU A 5 3.783 3.883 -10.449 1.00 0.00 C < ATOM 65 C LEU A 5 5.114 3.454 -9.846 1.00 0.00 C < ATOM 66 O LEU A 5 5.161 2.576 -8.984 1.00 0.00 O < ATOM 67 CB LEU A 5 3.480 3.036 -11.691 1.00 0.00 C < ATOM 68 CG LEU A 5 2.059 3.166 -12.256 1.00 0.00 C < ATOM 69 CD1 LEU A 5 1.966 2.413 -13.576 1.00 0.00 C < ATOM 70 CD2 LEU A 5 1.060 2.624 -11.245 1.00 0.00 C < ATOM 71 H LEU A 5 3.733 5.590 -11.761 1.00 0.00 H < ATOM 72 HA LEU A 5 3.009 3.724 -9.698 1.00 0.00 H < ATOM 73 1HB LEU A 5 4.176 3.314 -12.480 1.00 0.00 H < ATOM 74 2HB LEU A 5 3.643 1.987 -11.445 1.00 0.00 H < ATOM 75 HG LEU A 5 1.842 4.216 -12.454 1.00 0.00 H < ATOM 76 1HD1 LEU A 5 0.956 2.506 -13.977 1.00 0.00 H < ATOM 77 2HD1 LEU A 5 2.678 2.834 -14.286 1.00 0.00 H < ATOM 78 3HD1 LEU A 5 2.195 1.361 -13.411 1.00 0.00 H < ATOM 79 1HD2 LEU A 5 0.050 2.718 -11.646 1.00 0.00 H < ATOM 80 2HD2 LEU A 5 1.275 1.574 -11.047 1.00 0.00 H < ATOM 81 3HD2 LEU A 5 1.136 3.192 -10.317 1.00 0.00 H < ATOM 82 N ARG A 6 6.234 4.089 -10.311 1.00 0.00 N < ATOM 83 CA ARG A 6 7.525 3.749 -9.726 1.00 0.00 C < ATOM 84 C ARG A 6 7.648 4.291 -8.308 1.00 0.00 C < ATOM 85 O ARG A 6 8.294 3.683 -7.454 1.00 0.00 O < ATOM 86 CB ARG A 6 8.660 4.301 -10.576 1.00 0.00 C < ATOM 87 CG ARG A 6 8.815 3.647 -11.940 1.00 0.00 C < ATOM 88 CD ARG A 6 9.886 4.293 -12.740 1.00 0.00 C < ATOM 89 NE ARG A 6 10.010 3.698 -14.061 1.00 0.00 N < ATOM 90 CZ ARG A 6 10.889 4.097 -15.001 1.00 0.00 C < ATOM 91 NH1 ARG A 6 11.711 5.092 -14.752 1.00 0.00 N < ATOM 92 NH2 ARG A 6 10.923 3.489 -16.174 1.00 0.00 N < ATOM 93 H ARG A 6 6.141 4.776 -11.045 1.00 0.00 H < ATOM 94 HA ARG A 6 7.599 2.663 -9.676 1.00 0.00 H < ATOM 95 1HB ARG A 6 8.508 5.368 -10.737 1.00 0.00 H < ATOM 96 2HB ARG A 6 9.604 4.183 -10.044 1.00 0.00 H < ATOM 97 1HG ARG A 6 9.070 2.595 -11.811 1.00 0.00 H < ATOM 98 2HG ARG A 6 7.878 3.729 -12.491 1.00 0.00 H < ATOM 99 1HD ARG A 6 9.660 5.352 -12.864 1.00 0.00 H < ATOM 100 2HD ARG A 6 10.841 4.184 -12.227 1.00 0.00 H < ATOM 101 HE ARG A 6 9.394 2.929 -14.290 1.00 0.00 H < ATOM 102 1HH1 ARG A 6 11.685 5.556 -13.855 1.00 0.00 H < ATOM 103 2HH1 ARG A 6 12.369 5.391 -15.456 1.00 0.00 H < ATOM 104 1HH2 ARG A 6 10.291 2.725 -16.366 1.00 0.00 H < ATOM 105 2HH2 ARG A 6 11.581 3.789 -16.879 1.00 0.00 H < ATOM 106 N ASP A 7 7.058 5.432 -7.961 1.00 0.00 N < ATOM 107 CA ASP A 7 7.017 6.014 -6.625 1.00 0.00 C < ATOM 108 C ASP A 7 6.149 5.183 -5.689 1.00 0.00 C < ATOM 109 O ASP A 7 6.477 5.007 -4.515 1.00 0.00 O < ATOM 110 CB ASP A 7 6.488 7.449 -6.681 1.00 0.00 C < ATOM 111 CG ASP A 7 6.619 8.182 -5.353 1.00 0.00 C < ATOM 112 OD1 ASP A 7 7.713 8.261 -4.846 1.00 0.00 O < ATOM 113 OD2 ASP A 7 5.624 8.655 -4.857 1.00 0.00 O < ATOM 114 H ASP A 7 6.583 5.975 -8.667 1.00 0.00 H < ATOM 115 HA ASP A 7 8.031 6.017 -6.225 1.00 0.00 H < ATOM 116 1HB ASP A 7 7.032 8.008 -7.443 1.00 0.00 H < ATOM 117 2HB ASP A 7 5.437 7.438 -6.971 1.00 0.00 H < ATOM 118 N LEU A 8 5.018 4.679 -6.271 1.00 0.00 N < ATOM 119 CA LEU A 8 4.103 3.758 -5.606 1.00 0.00 C < ATOM 120 C LEU A 8 4.774 2.420 -5.329 1.00 0.00 C < ATOM 121 O LEU A 8 4.520 1.788 -4.303 1.00 0.00 O < ATOM 122 CB LEU A 8 2.851 3.542 -6.466 1.00 0.00 C < ATOM 123 CG LEU A 8 1.879 4.726 -6.535 1.00 0.00 C < ATOM 124 CD1 LEU A 8 0.807 4.443 -7.579 1.00 0.00 C < ATOM 125 CD2 LEU A 8 1.260 4.955 -5.165 1.00 0.00 C < ATOM 126 H LEU A 8 4.788 4.950 -7.217 1.00 0.00 H < ATOM 127 HA LEU A 8 3.820 4.195 -4.648 1.00 0.00 H < ATOM 128 1HB LEU A 8 3.165 3.310 -7.483 1.00 0.00 H < ATOM 129 2HB LEU A 8 2.304 2.685 -6.073 1.00 0.00 H < ATOM 130 HG LEU A 8 2.417 5.622 -6.845 1.00 0.00 H < ATOM 131 1HD1 LEU A 8 0.116 5.284 -7.629 1.00 0.00 H < ATOM 132 2HD1 LEU A 8 1.276 4.302 -8.553 1.00 0.00 H < ATOM 133 3HD1 LEU A 8 0.261 3.541 -7.305 1.00 0.00 H < ATOM 134 1HD2 LEU A 8 0.569 5.797 -5.214 1.00 0.00 H < ATOM 135 2HD2 LEU A 8 0.720 4.060 -4.855 1.00 0.00 H < ATOM 136 3HD2 LEU A 8 2.046 5.173 -4.442 1.00 0.00 H < ATOM 137 N LEU A 9 5.662 2.020 -6.324 1.00 0.00 N < ATOM 138 CA LEU A 9 6.486 0.845 -6.063 1.00 0.00 C < ATOM 139 C LEU A 9 7.459 1.098 -4.919 1.00 0.00 C < ATOM 140 O LEU A 9 7.628 0.255 -4.038 1.00 0.00 O < ATOM 141 CB LEU A 9 7.263 0.453 -7.326 1.00 0.00 C < ATOM 142 CG LEU A 9 8.163 -0.782 -7.196 1.00 0.00 C < ATOM 143 CD1 LEU A 9 7.316 -1.991 -6.823 1.00 0.00 C < ATOM 144 CD2 LEU A 9 8.900 -1.014 -8.507 1.00 0.00 C < ATOM 145 H LEU A 9 5.707 2.547 -7.184 1.00 0.00 H < ATOM 146 HA LEU A 9 5.828 0.028 -5.768 1.00 0.00 H < ATOM 147 1HB LEU A 9 6.551 0.261 -8.127 1.00 0.00 H < ATOM 148 2HB LEU A 9 7.893 1.292 -7.621 1.00 0.00 H < ATOM 149 HG LEU A 9 8.887 -0.623 -6.396 1.00 0.00 H < ATOM 150 1HD1 LEU A 9 7.956 -2.869 -6.730 1.00 0.00 H < ATOM 151 2HD1 LEU A 9 6.816 -1.806 -5.872 1.00 0.00 H < ATOM 152 3HD1 LEU A 9 6.571 -2.166 -7.598 1.00 0.00 H < ATOM 153 1HD2 LEU A 9 9.540 -1.892 -8.414 1.00 0.00 H < ATOM 154 2HD2 LEU A 9 8.177 -1.175 -9.307 1.00 0.00 H < ATOM 155 3HD2 LEU A 9 9.511 -0.142 -8.740 1.00 0.00 H < ATOM 156 N ARG A 10 8.146 2.243 -4.851 1.00 0.00 N < ATOM 157 CA ARG A 10 9.000 2.603 -3.726 1.00 0.00 C < ATOM 158 C ARG A 10 8.235 2.539 -2.411 1.00 0.00 C < ATOM 159 O ARG A 10 8.719 1.981 -1.426 1.00 0.00 O < ATOM 160 CB ARG A 10 9.568 4.002 -3.912 1.00 0.00 C < ATOM 161 CG ARG A 10 10.456 4.488 -2.777 1.00 0.00 C < ATOM 162 CD ARG A 10 10.913 5.884 -2.996 1.00 0.00 C < ATOM 163 NE ARG A 10 9.799 6.819 -3.042 1.00 0.00 N < ATOM 164 CZ ARG A 10 9.198 7.347 -1.958 1.00 0.00 C < ATOM 165 NH1 ARG A 10 9.614 7.023 -0.753 1.00 0.00 N < ATOM 166 NH2 ARG A 10 8.191 8.189 -2.105 1.00 0.00 N < ATOM 167 H ARG A 10 8.079 2.902 -5.613 1.00 0.00 H < ATOM 168 HA ARG A 10 9.815 1.880 -3.674 1.00 0.00 H < ATOM 169 1HB ARG A 10 10.156 4.038 -4.828 1.00 0.00 H < ATOM 170 2HB ARG A 10 8.751 4.715 -4.020 1.00 0.00 H < ATOM 171 1HG ARG A 10 9.900 4.452 -1.840 1.00 0.00 H < ATOM 172 2HG ARG A 10 11.335 3.847 -2.702 1.00 0.00 H < ATOM 173 1HD ARG A 10 11.574 6.182 -2.183 1.00 0.00 H < ATOM 174 2HD ARG A 10 11.449 5.947 -3.942 1.00 0.00 H < ATOM 175 HE ARG A 10 9.451 7.091 -3.952 1.00 0.00 H < ATOM 176 1HH1 ARG A 10 10.384 6.379 -0.640 1.00 0.00 H < ATOM 177 2HH1 ARG A 10 9.164 7.419 0.059 1.00 0.00 H < ATOM 178 1HH2 ARG A 10 7.871 8.438 -3.031 1.00 0.00 H < ATOM 179 2HH2 ARG A 10 7.741 8.585 -1.293 1.00 0.00 H < ATOM 180 N CYX A 11 7.020 3.115 -2.373 1.00 0.00 N < ATOM 181 CA CYX A 11 6.087 3.104 -1.252 1.00 0.00 C < ATOM 182 C CYX A 11 5.750 1.680 -0.830 1.00 0.00 C < ATOM 183 O CYX A 11 5.792 1.347 0.354 1.00 0.00 O < ATOM 184 CB CYX A 11 4.799 3.841 -1.618 1.00 0.00 C < ATOM 185 SG CYX A 11 3.562 3.864 -0.298 1.00 0.00 S < ATOM 186 H CYX A 11 6.761 3.593 -3.224 1.00 0.00 H < ATOM 187 HA CYX A 11 6.553 3.616 -0.410 1.00 0.00 H < ATOM 188 1HB CYX A 11 5.031 4.873 -1.881 1.00 0.00 H < ATOM 189 2HB CYX A 11 4.348 3.374 -2.493 1.00 0.00 H < ATOM 190 N LEU A 12 5.410 0.871 -1.916 1.00 0.00 N < ATOM 191 CA LEU A 12 5.073 -0.528 -1.680 1.00 0.00 C < ATOM 192 C LEU A 12 6.186 -1.243 -0.924 1.00 0.00 C < ATOM 193 O LEU A 12 5.928 -1.990 0.019 1.00 0.00 O < ATOM 194 CB LEU A 12 4.812 -1.242 -3.013 1.00 0.00 C < ATOM 195 CG LEU A 12 4.423 -2.722 -2.909 1.00 0.00 C < ATOM 196 CD1 LEU A 12 3.124 -2.854 -2.126 1.00 0.00 C < ATOM 197 CD2 LEU A 12 4.282 -3.309 -4.306 1.00 0.00 C < ATOM 198 H LEU A 12 5.392 1.229 -2.860 1.00 0.00 H < ATOM 199 HA LEU A 12 4.175 -0.561 -1.063 1.00 0.00 H < ATOM 200 1HB LEU A 12 4.007 -0.724 -3.532 1.00 0.00 H < ATOM 201 2HB LEU A 12 5.711 -1.177 -3.624 1.00 0.00 H < ATOM 202 HG LEU A 12 5.197 -3.264 -2.365 1.00 0.00 H < ATOM 203 1HD1 LEU A 12 2.848 -3.906 -2.052 1.00 0.00 H < ATOM 204 2HD1 LEU A 12 3.260 -2.444 -1.125 1.00 0.00 H < ATOM 205 3HD1 LEU A 12 2.334 -2.307 -2.639 1.00 0.00 H < ATOM 206 1HD2 LEU A 12 4.007 -4.362 -4.232 1.00 0.00 H < ATOM 207 2HD2 LEU A 12 3.507 -2.769 -4.851 1.00 0.00 H < ATOM 208 3HD2 LEU A 12 5.230 -3.218 -4.836 1.00 0.00 H < ATOM 209 N ASP A 13 7.467 -1.032 -1.320 1.00 0.00 N < ATOM 210 CA ASP A 13 8.564 -1.674 -0.605 1.00 0.00 C < ATOM 211 C ASP A 13 8.615 -1.220 0.848 1.00 0.00 C < ATOM 212 O ASP A 13 8.911 -2.009 1.745 1.00 0.00 O < ATOM 213 CB ASP A 13 9.900 -1.370 -1.288 1.00 0.00 C < ATOM 214 CG ASP A 13 10.084 -2.132 -2.594 1.00 0.00 C < ATOM 215 OD1 ASP A 13 9.356 -3.070 -2.820 1.00 0.00 O < ATOM 216 OD2 ASP A 13 10.951 -1.769 -3.352 1.00 0.00 O < ATOM 217 H ASP A 13 7.645 -0.430 -2.110 1.00 0.00 H < ATOM 218 HA ASP A 13 8.390 -2.750 -0.613 1.00 0.00 H < ATOM 219 1HB ASP A 13 9.968 -0.302 -1.495 1.00 0.00 H < ATOM 220 2HB ASP A 13 10.719 -1.627 -0.616 1.00 0.00 H < ATOM 221 N LEU A 14 8.338 0.044 1.164 1.00 0.00 N < ATOM 222 CA LEU A 14 8.315 0.633 2.497 1.00 0.00 C < ATOM 223 C LEU A 14 7.170 0.069 3.329 1.00 0.00 C < ATOM 224 O LEU A 14 7.306 -0.126 4.537 1.00 0.00 O < ATOM 225 CB LEU A 14 8.182 2.158 2.401 1.00 0.00 C < ATOM 226 CG LEU A 14 9.390 2.895 1.810 1.00 0.00 C < ATOM 227 CD1 LEU A 14 9.039 4.363 1.604 1.00 0.00 C < ATOM 228 CD2 LEU A 14 10.583 2.744 2.741 1.00 0.00 C < ATOM 229 H LEU A 14 8.113 0.698 0.427 1.00 0.00 H < ATOM 230 HA LEU A 14 9.249 0.376 2.997 1.00 0.00 H < ATOM 231 1HB LEU A 14 7.316 2.393 1.784 1.00 0.00 H < ATOM 232 2HB LEU A 14 8.008 2.556 3.401 1.00 0.00 H < ATOM 233 HG LEU A 14 9.634 2.471 0.836 1.00 0.00 H < ATOM 234 1HD1 LEU A 14 9.898 4.887 1.183 1.00 0.00 H < ATOM 235 2HD1 LEU A 14 8.196 4.442 0.918 1.00 0.00 H < ATOM 236 3HD1 LEU A 14 8.774 4.811 2.561 1.00 0.00 H < ATOM 237 1HD2 LEU A 14 11.443 3.267 2.321 1.00 0.00 H < ATOM 238 2HD2 LEU A 14 10.341 3.169 3.716 1.00 0.00 H < ATOM 239 3HD2 LEU A 14 10.823 1.687 2.857 1.00 0.00 H < ATOM 240 N LEU A 15 6.032 -0.178 2.589 1.00 0.00 N < ATOM 241 CA LEU A 15 4.864 -0.840 3.157 1.00 0.00 C < ATOM 242 C LEU A 15 5.165 -2.294 3.495 1.00 0.00 C < ATOM 243 O LEU A 15 4.668 -2.826 4.488 1.00 0.00 O < ATOM 244 CB LEU A 15 3.687 -0.770 2.175 1.00 0.00 C < ATOM 245 CG LEU A 15 3.077 0.622 1.966 1.00 0.00 C < ATOM 246 CD1 LEU A 15 2.080 0.572 0.816 1.00 0.00 C < ATOM 247 CD2 LEU A 15 2.407 1.082 3.252 1.00 0.00 C < ATOM 248 H LEU A 15 6.003 0.109 1.621 1.00 0.00 H < ATOM 249 HA LEU A 15 4.601 -0.329 4.083 1.00 0.00 H < ATOM 250 1HB LEU A 15 4.021 -1.134 1.205 1.00 0.00 H < ATOM 251 2HB LEU A 15 2.895 -1.428 2.534 1.00 0.00 H < ATOM 252 HG LEU A 15 3.864 1.327 1.695 1.00 0.00 H < ATOM 253 1HD1 LEU A 15 1.647 1.562 0.667 1.00 0.00 H < ATOM 254 2HD1 LEU A 15 2.590 0.259 -0.095 1.00 0.00 H < ATOM 255 3HD1 LEU A 15 1.288 -0.138 1.052 1.00 0.00 H < ATOM 256 1HD2 LEU A 15 1.974 2.072 3.103 1.00 0.00 H < ATOM 257 2HD2 LEU A 15 1.619 0.379 3.523 1.00 0.00 H < ATOM 258 3HD2 LEU A 15 3.146 1.125 4.052 1.00 0.00 H < ATOM 259 N ARG A 16 6.017 -2.935 2.614 1.00 0.00 N < ATOM 260 CA ARG A 16 6.409 -4.305 2.923 1.00 0.00 C < ATOM 261 C ARG A 16 7.456 -4.343 4.028 1.00 0.00 C < ATOM 262 O ARG A 16 7.500 -5.282 4.823 1.00 0.00 O < ATOM 263 CB ARG A 16 6.958 -4.997 1.683 1.00 0.00 C < ATOM 264 CG ARG A 16 5.937 -5.248 0.585 1.00 0.00 C < ATOM 265 CD ARG A 16 6.589 -5.603 -0.701 1.00 0.00 C < ATOM 266 NE ARG A 16 7.273 -6.884 -0.627 1.00 0.00 N < ATOM 267 CZ ARG A 16 8.239 -7.286 -1.475 1.00 0.00 C < ATOM 268 NH1 ARG A 16 8.624 -6.497 -2.454 1.00 0.00 N < ATOM 269 NH2 ARG A 16 8.801 -8.473 -1.323 1.00 0.00 N < ATOM 270 H ARG A 16 6.339 -2.442 1.794 1.00 0.00 H < ATOM 271 HA ARG A 16 5.527 -4.838 3.280 1.00 0.00 H < ATOM 272 1HB ARG A 16 7.760 -4.395 1.257 1.00 0.00 H < ATOM 273 2HB ARG A 16 7.385 -5.960 1.963 1.00 0.00 H < ATOM 274 1HG ARG A 16 5.284 -6.070 0.877 1.00 0.00 H < ATOM 275 2HG ARG A 16 5.340 -4.348 0.430 1.00 0.00 H < ATOM 276 1HD ARG A 16 5.836 -5.663 -1.486 1.00 0.00 H < ATOM 277 2HD ARG A 16 7.323 -4.840 -0.959 1.00 0.00 H < ATOM 278 HE ARG A 16 7.004 -7.518 0.114 1.00 0.00 H < ATOM 279 1HH1 ARG A 16 8.195 -5.590 -2.570 1.00 0.00 H < ATOM 280 2HH1 ARG A 16 9.348 -6.799 -3.090 1.00 0.00 H < ATOM 281 1HH2 ARG A 16 8.505 -9.079 -0.570 1.00 0.00 H < ATOM 282 2HH2 ARG A 16 9.525 -8.774 -1.958 1.00 0.00 H < ATOM 283 N LEU A 17 8.348 -3.363 4.161 1.00 0.00 N < ATOM 284 CA LEU A 17 9.376 -3.301 5.193 1.00 0.00 C < ATOM 285 C LEU A 17 8.779 -3.510 6.578 1.00 0.00 C < ATOM 286 O LEU A 17 8.033 -2.668 7.077 1.00 0.00 O < ATOM 287 CB LEU A 17 10.099 -1.949 5.140 1.00 0.00 C < ATOM 288 CG LEU A 17 11.257 -1.775 6.132 1.00 0.00 C < ATOM 289 CD1 LEU A 17 12.375 -2.749 5.784 1.00 0.00 C < ATOM 290 CD2 LEU A 17 11.751 -0.337 6.088 1.00 0.00 C < ATOM 291 H LEU A 17 8.333 -2.592 3.508 1.00 0.00 H < ATOM 292 HA LEU A 17 10.088 -4.106 5.011 1.00 0.00 H < ATOM 293 1HB LEU A 17 10.499 -1.808 4.137 1.00 0.00 H < ATOM 294 2HB LEU A 17 9.374 -1.159 5.335 1.00 0.00 H < ATOM 295 HG LEU A 17 10.912 -2.010 7.139 1.00 0.00 H < ATOM 296 1HD1 LEU A 17 13.197 -2.625 6.489 1.00 0.00 H < ATOM 297 2HD1 LEU A 17 11.999 -3.770 5.842 1.00 0.00 H < ATOM 298 3HD1 LEU A 17 12.730 -2.549 4.774 1.00 0.00 H < ATOM 299 1HD2 LEU A 17 12.573 -0.213 6.793 1.00 0.00 H < ATOM 300 2HD2 LEU A 17 12.098 -0.101 5.081 1.00 0.00 H < ATOM 301 3HD2 LEU A 17 10.937 0.336 6.358 1.00 0.00 H < ATOM 302 N PRO A 18 9.122 -4.663 7.202 1.00 0.00 N < ATOM 303 CA PRO A 18 8.695 -5.063 8.538 1.00 0.00 C < ATOM 304 C PRO A 18 9.032 -3.993 9.568 1.00 0.00 C < ATOM 305 O PRO A 18 8.284 -3.778 10.521 1.00 0.00 O < ATOM 306 CB PRO A 18 9.488 -6.351 8.781 1.00 0.00 C < ATOM 307 CG PRO A 18 9.700 -6.914 7.417 1.00 0.00 C < ATOM 308 CD PRO A 18 9.957 -5.709 6.552 1.00 0.00 C < ATOM 309 HA PRO A 18 7.612 -5.185 8.525 1.00 0.00 H < ATOM 310 1HB PRO A 18 10.430 -6.121 9.300 1.00 0.00 H < ATOM 311 2HB PRO A 18 8.917 -7.026 9.437 1.00 0.00 H < ATOM 312 1HG PRO A 18 10.544 -7.618 7.424 1.00 0.00 H < ATOM 313 2HG PRO A 18 8.814 -7.483 7.099 1.00 0.00 H < ATOM 314 1HD PRO A 18 11.028 -5.457 6.582 1.00 0.00 H < ATOM 315 2HD PRO A 18 9.638 -5.922 5.521 1.00 0.00 H < ATOM 316 N ARG A 19 10.233 -3.336 9.291 1.00 0.00 N < ATOM 317 CA ARG A 19 10.731 -2.372 10.264 1.00 0.00 C < ATOM 318 C ARG A 19 9.775 -1.195 10.413 1.00 0.00 C < ATOM 319 O ARG A 19 9.304 -0.637 9.422 1.00 0.00 O < ATOM 320 CB ARG A 19 12.104 -1.858 9.855 1.00 0.00 C < ATOM 321 CG ARG A 19 13.204 -2.907 9.851 1.00 0.00 C < ATOM 322 CD ARG A 19 13.565 -3.329 11.228 1.00 0.00 C < ATOM 323 NE ARG A 19 14.085 -2.223 12.016 1.00 0.00 N < ATOM 324 CZ ARG A 19 15.368 -1.812 12.005 1.00 0.00 C < ATOM 325 NH1 ARG A 19 16.247 -2.423 11.243 1.00 0.00 N < ATOM 326 NH2 ARG A 19 15.742 -0.793 12.760 1.00 0.00 N < ATOM 327 H ARG A 19 10.721 -3.545 8.431 1.00 0.00 H < ATOM 328 HA ARG A 19 10.799 -2.871 11.231 1.00 0.00 H < ATOM 329 1HB ARG A 19 12.049 -1.434 8.853 1.00 0.00 H < ATOM 330 2HB ARG A 19 12.410 -1.061 10.532 1.00 0.00 H < ATOM 331 1HG ARG A 19 12.868 -3.785 9.300 1.00 0.00 H < ATOM 332 2HG ARG A 19 14.095 -2.498 9.373 1.00 0.00 H < ATOM 333 1HD ARG A 19 12.682 -3.721 11.732 1.00 0.00 H < ATOM 334 2HD ARG A 19 14.330 -4.104 11.182 1.00 0.00 H < ATOM 335 HE ARG A 19 13.437 -1.728 12.615 1.00 0.00 H < ATOM 336 1HH1 ARG A 19 15.962 -3.202 10.666 1.00 0.00 H < ATOM 337 2HH1 ARG A 19 17.209 -2.115 11.235 1.00 0.00 H < ATOM 338 1HH2 ARG A 19 15.065 -0.323 13.345 1.00 0.00 H < ATOM 339 2HH2 ARG A 19 16.703 -0.485 12.751 1.00 0.00 H < ATOM 340 N ASP A 20 9.444 -0.763 11.644 1.00 0.00 N < ATOM 341 CA ASP A 20 8.564 0.383 11.837 1.00 0.00 C < ATOM 342 C ASP A 20 9.041 1.255 12.991 1.00 0.00 C < ATOM 343 O ASP A 20 8.270 1.584 13.893 1.00 0.00 O < ATOM 344 CB ASP A 20 7.129 -0.081 12.100 1.00 0.00 C < ATOM 345 CG ASP A 20 7.000 -0.923 13.362 1.00 0.00 C < ATOM 346 OD1 ASP A 20 8.007 -1.220 13.960 1.00 0.00 O < ATOM 347 OD2 ASP A 20 5.896 -1.261 13.716 1.00 0.00 O < ATOM 348 H ASP A 20 9.813 -1.242 12.453 1.00 0.00 H < ATOM 349 HA ASP A 20 8.589 0.986 10.930 1.00 0.00 H < ATOM 350 1HB ASP A 20 6.477 0.787 12.192 1.00 0.00 H < ATOM 351 2HB ASP A 20 6.775 -0.668 11.252 1.00 0.00 H < HETATM 352 CM1 TBS A 21 2.901 5.531 -0.311 1.00 0.00 C < HETATM 353 C1 TBS A 21 1.402 5.543 -0.150 1.00 0.00 C < HETATM 354 C2 TBS A 21 0.823 5.537 1.127 1.00 0.00 C < HETATM 355 H1 TBS A 21 3.174 6.022 -1.253 1.00 0.00 H < HETATM 356 H2 TBS A 21 3.363 6.109 0.498 1.00 0.00 H < HETATM 357 H3 TBS A 21 1.464 5.511 2.007 1.00 0.00 H --- > ATOM 1 N ASP A 1 6.066 1.680 -15.349 1.00 0.00 N > ATOM 2 CA ASP A 1 6.591 2.522 -16.417 1.00 0.00 C > ATOM 3 C ASP A 1 6.334 3.996 -16.134 1.00 0.00 C > ATOM 4 O ASP A 1 7.138 4.857 -16.493 1.00 0.00 O > ATOM 5 CB ASP A 1 5.964 2.138 -17.760 1.00 0.00 C > ATOM 6 CG ASP A 1 6.339 0.731 -18.208 1.00 0.00 C > ATOM 7 OD1 ASP A 1 7.511 0.450 -18.297 1.00 0.00 O > ATOM 8 OD2 ASP A 1 5.450 -0.048 -18.456 1.00 0.00 O > ATOM 9 H ASP A 1 5.126 1.320 -15.423 1.00 0.00 H > ATOM 10 HA ASP A 1 7.670 2.374 -16.466 1.00 0.00 H > ATOM 11 1HB ASP A 1 4.879 2.203 -17.686 1.00 0.00 H > ATOM 12 2HB ASP A 1 6.284 2.845 -18.526 1.00 0.00 H > ATOM 13 N ARG A 2 5.135 4.217 -15.453 1.00 0.00 N > ATOM 14 CA ARG A 2 4.801 5.586 -15.078 1.00 0.00 C > ATOM 15 C ARG A 2 5.590 6.030 -13.853 1.00 0.00 C > ATOM 16 O ARG A 2 5.713 5.286 -12.880 1.00 0.00 O > ATOM 17 CB ARG A 2 3.312 5.716 -14.794 1.00 0.00 C > ATOM 18 CG ARG A 2 2.814 7.143 -14.630 1.00 0.00 C > ATOM 19 CD ARG A 2 1.347 7.190 -14.406 1.00 0.00 C > ATOM 20 NE ARG A 2 0.873 8.550 -14.200 1.00 0.00 N > ATOM 21 CZ ARG A 2 0.458 9.373 -15.183 1.00 0.00 C > ATOM 22 NH1 ARG A 2 0.465 8.961 -16.432 1.00 0.00 N > ATOM 23 NH2 ARG A 2 0.045 10.594 -14.892 1.00 0.00 N > ATOM 24 H ARG A 2 4.497 3.472 -15.212 1.00 0.00 H > ATOM 25 HA ARG A 2 5.075 6.240 -15.907 1.00 0.00 H > ATOM 26 1HB ARG A 2 2.746 5.261 -15.606 1.00 0.00 H > ATOM 27 2HB ARG A 2 3.068 5.174 -13.880 1.00 0.00 H > ATOM 28 1HG ARG A 2 3.306 7.604 -13.773 1.00 0.00 H > ATOM 29 2HG ARG A 2 3.043 7.714 -15.530 1.00 0.00 H > ATOM 30 1HD ARG A 2 0.833 6.778 -15.275 1.00 0.00 H > ATOM 31 2HD ARG A 2 1.094 6.604 -13.524 1.00 0.00 H > ATOM 32 HE ARG A 2 0.853 8.902 -13.253 1.00 0.00 H > ATOM 33 1HH1 ARG A 2 0.781 8.027 -16.654 1.00 0.00 H > ATOM 34 2HH1 ARG A 2 0.154 9.578 -17.168 1.00 0.00 H > ATOM 35 1HH2 ARG A 2 0.040 10.910 -13.932 1.00 0.00 H > ATOM 36 2HH2 ARG A 2 -0.266 11.210 -15.628 1.00 0.00 H > ATOM 37 N PRO A 3 6.158 7.248 -13.833 1.00 0.00 N > ATOM 38 CA PRO A 3 6.911 7.726 -12.679 1.00 0.00 C > ATOM 39 C PRO A 3 6.095 7.605 -11.399 1.00 0.00 C > ATOM 40 O PRO A 3 6.632 7.294 -10.336 1.00 0.00 O > ATOM 41 CB PRO A 3 7.193 9.189 -13.034 1.00 0.00 C > ATOM 42 CG PRO A 3 7.248 9.201 -14.523 1.00 0.00 C > ATOM 43 CD PRO A 3 6.171 8.237 -14.945 1.00 0.00 C > ATOM 44 HA PRO A 3 7.797 7.100 -12.571 1.00 0.00 H > ATOM 45 1HB PRO A 3 6.398 9.834 -12.631 1.00 0.00 H > ATOM 46 2HB PRO A 3 8.136 9.514 -12.570 1.00 0.00 H > ATOM 47 1HG PRO A 3 7.076 10.220 -14.902 1.00 0.00 H > ATOM 48 2HG PRO A 3 8.247 8.898 -14.869 1.00 0.00 H > ATOM 49 1HD PRO A 3 5.212 8.770 -15.027 1.00 0.00 H > ATOM 50 2HD PRO A 3 6.445 7.779 -15.907 1.00 0.00 H > ATOM 51 N ASP A 4 4.780 7.844 -11.449 1.00 0.00 N > ATOM 52 CA ASP A 4 3.822 7.728 -10.356 1.00 0.00 C > ATOM 53 C ASP A 4 3.813 6.319 -9.777 1.00 0.00 C > ATOM 54 O ASP A 4 3.858 6.137 -8.560 1.00 0.00 O > ATOM 55 CB ASP A 4 2.416 8.099 -10.833 1.00 0.00 C > ATOM 56 CG ASP A 4 2.258 9.587 -11.113 1.00 0.00 C > ATOM 57 OD1 ASP A 4 3.054 10.352 -10.622 1.00 0.00 O > ATOM 58 OD2 ASP A 4 1.342 9.945 -11.815 1.00 0.00 O > ATOM 59 H ASP A 4 4.366 8.138 -12.322 1.00 0.00 H > ATOM 60 HA ASP A 4 4.127 8.413 -9.564 1.00 0.00 H > ATOM 61 1HB ASP A 4 2.183 7.546 -11.743 1.00 0.00 H > ATOM 62 2HB ASP A 4 1.686 7.807 -10.077 1.00 0.00 H > ATOM 63 N LEU A 5 3.752 5.341 -10.764 1.00 0.00 N > ATOM 64 CA LEU A 5 3.773 3.928 -10.405 1.00 0.00 C > ATOM 65 C LEU A 5 5.115 3.533 -9.803 1.00 0.00 C > ATOM 66 O LEU A 5 5.186 2.658 -8.940 1.00 0.00 O > ATOM 67 CB LEU A 5 3.485 3.064 -11.638 1.00 0.00 C > ATOM 68 CG LEU A 5 2.061 3.162 -12.201 1.00 0.00 C > ATOM 69 CD1 LEU A 5 1.980 2.398 -13.516 1.00 0.00 C > ATOM 70 CD2 LEU A 5 1.074 2.607 -11.185 1.00 0.00 C > ATOM 71 H LEU A 5 3.692 5.622 -11.732 1.00 0.00 H > ATOM 72 HA LEU A 5 3.005 3.759 -9.650 1.00 0.00 H > ATOM 73 1HB LEU A 5 4.174 3.349 -12.431 1.00 0.00 H > ATOM 74 2HB LEU A 5 3.669 2.020 -11.383 1.00 0.00 H > ATOM 75 HG LEU A 5 1.822 4.205 -12.407 1.00 0.00 H > ATOM 76 1HD1 LEU A 5 0.969 2.468 -13.916 1.00 0.00 H > ATOM 77 2HD1 LEU A 5 2.683 2.828 -14.230 1.00 0.00 H > ATOM 78 3HD1 LEU A 5 2.231 1.352 -13.345 1.00 0.00 H > ATOM 79 1HD2 LEU A 5 0.062 2.677 -11.585 1.00 0.00 H > ATOM 80 2HD2 LEU A 5 1.311 1.562 -10.980 1.00 0.00 H > ATOM 81 3HD2 LEU A 5 1.140 3.182 -10.262 1.00 0.00 H > ATOM 82 N ARG A 6 6.219 4.196 -10.269 1.00 0.00 N > ATOM 83 CA ARG A 6 7.520 3.881 -9.694 1.00 0.00 C > ATOM 84 C ARG A 6 7.639 4.417 -8.273 1.00 0.00 C > ATOM 85 O ARG A 6 8.290 3.810 -7.423 1.00 0.00 O > ATOM 86 CB ARG A 6 8.638 4.462 -10.547 1.00 0.00 C > ATOM 87 CG ARG A 6 8.801 3.817 -11.914 1.00 0.00 C > ATOM 88 CD ARG A 6 9.853 4.490 -12.718 1.00 0.00 C > ATOM 89 NE ARG A 6 9.989 3.897 -14.039 1.00 0.00 N > ATOM 90 CZ ARG A 6 10.859 4.316 -14.979 1.00 0.00 C > ATOM 91 NH1 ARG A 6 11.660 5.328 -14.730 1.00 0.00 N > ATOM 92 NH2 ARG A 6 10.906 3.709 -16.152 1.00 0.00 N > ATOM 93 H ARG A 6 6.106 4.886 -10.999 1.00 0.00 H > ATOM 94 HA ARG A 6 7.618 2.796 -9.651 1.00 0.00 H > ATOM 95 1HB ARG A 6 8.460 5.525 -10.704 1.00 0.00 H > ATOM 96 2HB ARG A 6 9.587 4.363 -10.021 1.00 0.00 H > ATOM 97 1HG ARG A 6 9.081 2.770 -11.792 1.00 0.00 H > ATOM 98 2HG ARG A 6 7.859 3.879 -12.461 1.00 0.00 H > ATOM 99 1HD ARG A 6 9.598 5.543 -12.842 1.00 0.00 H > ATOM 100 2HD ARG A 6 10.811 4.407 -12.206 1.00 0.00 H > ATOM 101 HE ARG A 6 9.390 3.116 -14.267 1.00 0.00 H > ATOM 102 1HH1 ARG A 6 11.623 5.792 -13.833 1.00 0.00 H > ATOM 103 2HH1 ARG A 6 12.311 5.642 -15.434 1.00 0.00 H > ATOM 104 1HH2 ARG A 6 10.290 2.930 -16.344 1.00 0.00 H > ATOM 105 2HH2 ARG A 6 11.558 4.022 -16.856 1.00 0.00 H > ATOM 106 N ASP A 7 7.043 5.553 -7.921 1.00 0.00 N > ATOM 107 CA ASP A 7 6.995 6.128 -6.582 1.00 0.00 C > ATOM 108 C ASP A 7 6.142 5.279 -5.648 1.00 0.00 C > ATOM 109 O ASP A 7 6.475 5.102 -4.477 1.00 0.00 O > ATOM 110 CB ASP A 7 6.445 7.555 -6.630 1.00 0.00 C > ATOM 111 CG ASP A 7 7.444 8.556 -7.197 1.00 0.00 C > ATOM 112 OD1 ASP A 7 8.613 8.252 -7.216 1.00 0.00 O > ATOM 113 OD2 ASP A 7 7.028 9.614 -7.604 1.00 0.00 O > ATOM 114 H ASP A 7 6.565 6.097 -8.626 1.00 0.00 H > ATOM 115 HA ASP A 7 8.010 6.144 -6.184 1.00 0.00 H > ATOM 116 1HB ASP A 7 5.544 7.577 -7.243 1.00 0.00 H > ATOM 117 2HB ASP A 7 6.166 7.872 -5.625 1.00 0.00 H > ATOM 118 N LEU A 8 5.017 4.762 -6.231 1.00 0.00 N > ATOM 119 CA LEU A 8 4.118 3.824 -5.569 1.00 0.00 C > ATOM 120 C LEU A 8 4.806 2.491 -5.308 1.00 0.00 C > ATOM 121 O LEU A 8 4.560 1.843 -4.291 1.00 0.00 O > ATOM 122 CB LEU A 8 2.863 3.600 -6.423 1.00 0.00 C > ATOM 123 CG LEU A 8 1.879 4.775 -6.481 1.00 0.00 C > ATOM 124 CD1 LEU A 8 0.805 4.488 -7.522 1.00 0.00 C > ATOM 125 CD2 LEU A 8 1.264 4.991 -5.106 1.00 0.00 C > ATOM 126 H LEU A 8 4.781 5.035 -7.175 1.00 0.00 H > ATOM 127 HA LEU A 8 3.835 4.249 -4.606 1.00 0.00 H > ATOM 128 1HB LEU A 8 3.173 3.377 -7.443 1.00 0.00 H > ATOM 129 2HB LEU A 8 2.326 2.736 -6.032 1.00 0.00 H > ATOM 130 HG LEU A 8 2.408 5.678 -6.788 1.00 0.00 H > ATOM 131 1HD1 LEU A 8 0.106 5.323 -7.563 1.00 0.00 H > ATOM 132 2HD1 LEU A 8 1.271 4.358 -8.499 1.00 0.00 H > ATOM 133 3HD1 LEU A 8 0.269 3.579 -7.250 1.00 0.00 H > ATOM 134 1HD2 LEU A 8 0.565 5.827 -5.147 1.00 0.00 H > ATOM 135 2HD2 LEU A 8 0.734 4.089 -4.799 1.00 0.00 H > ATOM 136 3HD2 LEU A 8 2.052 5.211 -4.386 1.00 0.00 H > ATOM 137 N LEU A 9 5.700 2.116 -6.307 1.00 0.00 N > ATOM 138 CA LEU A 9 6.517 0.931 -6.074 1.00 0.00 C > ATOM 139 C LEU A 9 7.471 1.140 -4.905 1.00 0.00 C > ATOM 140 O LEU A 9 7.611 0.273 -4.043 1.00 0.00 O > ATOM 141 CB LEU A 9 7.316 0.581 -7.336 1.00 0.00 C > ATOM 142 CG LEU A 9 8.216 -0.656 -7.232 1.00 0.00 C > ATOM 143 CD1 LEU A 9 7.365 -1.879 -6.919 1.00 0.00 C > ATOM 144 CD2 LEU A 9 8.980 -0.840 -8.535 1.00 0.00 C > ATOM 145 H LEU A 9 5.755 2.668 -7.151 1.00 0.00 H > ATOM 146 HA LEU A 9 5.852 0.106 -5.819 1.00 0.00 H > ATOM 147 1HB LEU A 9 6.617 0.414 -8.154 1.00 0.00 H > ATOM 148 2HB LEU A 9 7.948 1.431 -7.594 1.00 0.00 H > ATOM 149 HG LEU A 9 8.923 -0.524 -6.413 1.00 0.00 H > ATOM 150 1HD1 LEU A 9 8.005 -2.759 -6.845 1.00 0.00 H > ATOM 151 2HD1 LEU A 9 6.846 -1.729 -5.973 1.00 0.00 H > ATOM 152 3HD1 LEU A 9 6.636 -2.028 -7.715 1.00 0.00 H > ATOM 153 1HD2 LEU A 9 9.621 -1.719 -8.461 1.00 0.00 H > ATOM 154 2HD2 LEU A 9 8.274 -0.974 -9.355 1.00 0.00 H > ATOM 155 3HD2 LEU A 9 9.593 0.041 -8.725 1.00 0.00 H > ATOM 156 N ARG A 10 8.172 2.273 -4.794 1.00 0.00 N > ATOM 157 CA ARG A 10 9.022 2.584 -3.652 1.00 0.00 C > ATOM 158 C ARG A 10 8.240 2.512 -2.347 1.00 0.00 C > ATOM 159 O ARG A 10 8.702 1.928 -1.366 1.00 0.00 O > ATOM 160 CB ARG A 10 9.630 3.972 -3.799 1.00 0.00 C > ATOM 161 CG ARG A 10 10.638 4.346 -2.724 1.00 0.00 C > ATOM 162 CD ARG A 10 11.167 5.720 -2.921 1.00 0.00 C > ATOM 163 NE ARG A 10 11.783 5.881 -4.228 1.00 0.00 N > ATOM 164 CZ ARG A 10 11.241 6.573 -5.249 1.00 0.00 C > ATOM 165 NH1 ARG A 10 10.075 7.161 -5.099 1.00 0.00 N > ATOM 166 NH2 ARG A 10 11.882 6.661 -6.402 1.00 0.00 N > ATOM 167 H ARG A 10 8.120 2.958 -5.535 1.00 0.00 H > ATOM 168 HA ARG A 10 9.816 1.839 -3.607 1.00 0.00 H > ATOM 169 1HB ARG A 10 10.132 4.048 -4.762 1.00 0.00 H > ATOM 170 2HB ARG A 10 8.837 4.719 -3.783 1.00 0.00 H > ATOM 171 1HG ARG A 10 10.159 4.300 -1.745 1.00 0.00 H > ATOM 172 2HG ARG A 10 11.475 3.648 -2.751 1.00 0.00 H > ATOM 173 1HD ARG A 10 10.353 6.439 -2.837 1.00 0.00 H > ATOM 174 2HD ARG A 10 11.918 5.932 -2.162 1.00 0.00 H > ATOM 175 HE ARG A 10 12.681 5.442 -4.382 1.00 0.00 H > ATOM 176 1HH1 ARG A 10 9.585 7.094 -4.218 1.00 0.00 H > ATOM 177 2HH1 ARG A 10 9.669 7.680 -5.864 1.00 0.00 H > ATOM 178 1HH2 ARG A 10 12.779 6.208 -6.517 1.00 0.00 H > ATOM 179 2HH2 ARG A 10 11.476 7.179 -7.167 1.00 0.00 H > ATOM 180 N CYX A 11 7.034 3.108 -2.314 1.00 0.00 N > ATOM 181 CA CYX A 11 6.089 3.096 -1.204 1.00 0.00 C > ATOM 182 C CYX A 11 5.733 1.671 -0.799 1.00 0.00 C > ATOM 183 O CYX A 11 5.748 1.330 0.383 1.00 0.00 O > ATOM 184 CB CYX A 11 4.812 3.849 -1.578 1.00 0.00 C > ATOM 185 SG CYX A 11 3.565 3.883 -0.268 1.00 0.00 S > ATOM 186 H CYX A 11 6.794 3.604 -3.161 1.00 0.00 H > ATOM 187 HA CYX A 11 6.550 3.595 -0.352 1.00 0.00 H > ATOM 188 1HB CYX A 11 5.059 4.879 -1.835 1.00 0.00 H > ATOM 189 2HB CYX A 11 4.363 3.390 -2.459 1.00 0.00 H > ATOM 190 N LEU A 12 5.409 0.873 -1.898 1.00 0.00 N > ATOM 191 CA LEU A 12 5.068 -0.528 -1.680 1.00 0.00 C > ATOM 192 C LEU A 12 6.168 -1.251 -0.914 1.00 0.00 C > ATOM 193 O LEU A 12 5.895 -2.005 0.019 1.00 0.00 O > ATOM 194 CB LEU A 12 4.826 -1.229 -3.023 1.00 0.00 C > ATOM 195 CG LEU A 12 4.439 -2.711 -2.939 1.00 0.00 C > ATOM 196 CD1 LEU A 12 3.130 -2.853 -2.174 1.00 0.00 C > ATOM 197 CD2 LEU A 12 4.316 -3.284 -4.343 1.00 0.00 C > ATOM 198 H LEU A 12 5.406 1.240 -2.839 1.00 0.00 H > ATOM 199 HA LEU A 12 4.160 -0.566 -1.077 1.00 0.00 H > ATOM 200 1HB LEU A 12 4.027 -0.708 -3.548 1.00 0.00 H > ATOM 201 2HB LEU A 12 5.734 -1.157 -3.621 1.00 0.00 H > ATOM 202 HG LEU A 12 5.207 -3.257 -2.391 1.00 0.00 H > ATOM 203 1HD1 LEU A 12 2.856 -3.906 -2.114 1.00 0.00 H > ATOM 204 2HD1 LEU A 12 3.253 -2.453 -1.167 1.00 0.00 H > ATOM 205 3HD1 LEU A 12 2.345 -2.302 -2.691 1.00 0.00 H > ATOM 206 1HD2 LEU A 12 4.042 -4.338 -4.284 1.00 0.00 H > ATOM 207 2HD2 LEU A 12 3.547 -2.740 -4.892 1.00 0.00 H > ATOM 208 3HD2 LEU A 12 5.270 -3.186 -4.861 1.00 0.00 H > ATOM 209 N ASP A 13 7.455 -1.039 -1.289 1.00 0.00 N > ATOM 210 CA ASP A 13 8.540 -1.688 -0.564 1.00 0.00 C > ATOM 211 C ASP A 13 8.592 -1.219 0.885 1.00 0.00 C > ATOM 212 O ASP A 13 8.887 -2.000 1.790 1.00 0.00 O > ATOM 213 CB ASP A 13 9.883 -1.410 -1.245 1.00 0.00 C > ATOM 214 CG ASP A 13 10.062 -2.190 -2.540 1.00 0.00 C > ATOM 215 OD1 ASP A 13 9.331 -3.128 -2.752 1.00 0.00 O > ATOM 216 OD2 ASP A 13 10.929 -1.841 -3.305 1.00 0.00 O > ATOM 217 H ASP A 13 7.645 -0.430 -2.072 1.00 0.00 H > ATOM 218 HA ASP A 13 8.351 -2.762 -0.560 1.00 0.00 H > ATOM 219 1HB ASP A 13 9.966 -0.346 -1.464 1.00 0.00 H > ATOM 220 2HB ASP A 13 10.696 -1.669 -0.566 1.00 0.00 H > ATOM 221 N LEU A 14 8.318 0.048 1.188 1.00 0.00 N > ATOM 222 CA LEU A 14 8.294 0.650 2.516 1.00 0.00 C > ATOM 223 C LEU A 14 7.150 0.094 3.352 1.00 0.00 C > ATOM 224 O LEU A 14 7.283 -0.084 4.563 1.00 0.00 O > ATOM 225 CB LEU A 14 8.160 2.174 2.404 1.00 0.00 C > ATOM 226 CG LEU A 14 9.369 2.906 1.808 1.00 0.00 C > ATOM 227 CD1 LEU A 14 9.016 4.370 1.583 1.00 0.00 C > ATOM 228 CD2 LEU A 14 10.560 2.769 2.745 1.00 0.00 C > ATOM 229 H LEU A 14 8.097 0.695 0.444 1.00 0.00 H > ATOM 230 HA LEU A 14 9.228 0.399 3.018 1.00 0.00 H > ATOM 231 1HB LEU A 14 7.296 2.402 1.784 1.00 0.00 H > ATOM 232 2HB LEU A 14 7.985 2.581 3.400 1.00 0.00 H > ATOM 233 HG LEU A 14 9.617 2.471 0.840 1.00 0.00 H > ATOM 234 1HD1 LEU A 14 9.875 4.891 1.159 1.00 0.00 H > ATOM 235 2HD1 LEU A 14 8.174 4.440 0.894 1.00 0.00 H > ATOM 236 3HD1 LEU A 14 8.747 4.830 2.533 1.00 0.00 H > ATOM 237 1HD2 LEU A 14 11.419 3.289 2.321 1.00 0.00 H > ATOM 238 2HD2 LEU A 14 10.313 3.205 3.713 1.00 0.00 H > ATOM 239 3HD2 LEU A 14 10.801 1.714 2.874 1.00 0.00 H > ATOM 240 N LEU A 15 6.015 -0.168 2.613 1.00 0.00 N > ATOM 241 CA LEU A 15 4.848 -0.829 3.186 1.00 0.00 C > ATOM 242 C LEU A 15 5.151 -2.282 3.528 1.00 0.00 C > ATOM 243 O LEU A 15 4.668 -2.807 4.531 1.00 0.00 O > ATOM 244 CB LEU A 15 3.668 -0.762 2.208 1.00 0.00 C > ATOM 245 CG LEU A 15 3.056 0.629 1.997 1.00 0.00 C > ATOM 246 CD1 LEU A 15 2.067 0.579 0.841 1.00 0.00 C > ATOM 247 CD2 LEU A 15 2.377 1.084 3.280 1.00 0.00 C > ATOM 248 H LEU A 15 5.986 0.106 1.641 1.00 0.00 H > ATOM 249 HA LEU A 15 4.588 -0.315 4.112 1.00 0.00 H > ATOM 250 1HB LEU A 15 4.000 -1.129 1.238 1.00 0.00 H > ATOM 251 2HB LEU A 15 2.878 -1.420 2.571 1.00 0.00 H > ATOM 252 HG LEU A 15 3.843 1.336 1.733 1.00 0.00 H > ATOM 253 1HD1 LEU A 15 1.632 1.567 0.691 1.00 0.00 H > ATOM 254 2HD1 LEU A 15 2.583 0.269 -0.067 1.00 0.00 H > ATOM 255 3HD1 LEU A 15 1.275 -0.134 1.071 1.00 0.00 H > ATOM 256 1HD2 LEU A 15 1.943 2.074 3.130 1.00 0.00 H > ATOM 257 2HD2 LEU A 15 1.589 0.379 3.545 1.00 0.00 H > ATOM 258 3HD2 LEU A 15 3.111 1.128 4.085 1.00 0.00 H > ATOM 259 N ARG A 16 5.987 -2.930 2.638 1.00 0.00 N > ATOM 260 CA ARG A 16 6.379 -4.301 2.946 1.00 0.00 C > ATOM 261 C ARG A 16 7.419 -4.339 4.058 1.00 0.00 C > ATOM 262 O ARG A 16 7.455 -5.276 4.855 1.00 0.00 O > ATOM 263 CB ARG A 16 6.936 -4.989 1.709 1.00 0.00 C > ATOM 264 CG ARG A 16 5.921 -5.244 0.607 1.00 0.00 C > ATOM 265 CD ARG A 16 6.582 -5.580 -0.681 1.00 0.00 C > ATOM 266 NE ARG A 16 7.272 -6.858 -0.619 1.00 0.00 N > ATOM 267 CZ ARG A 16 8.312 -7.205 -1.403 1.00 0.00 C > ATOM 268 NH1 ARG A 16 8.768 -6.360 -2.301 1.00 0.00 N > ATOM 269 NH2 ARG A 16 8.873 -8.394 -1.269 1.00 0.00 N > ATOM 270 H ARG A 16 6.298 -2.442 1.810 1.00 0.00 H > ATOM 271 HA ARG A 16 5.495 -4.834 3.297 1.00 0.00 H > ATOM 272 1HB ARG A 16 7.738 -4.385 1.287 1.00 0.00 H > ATOM 273 2HB ARG A 16 7.366 -5.951 1.991 1.00 0.00 H > ATOM 274 1HG ARG A 16 5.278 -6.078 0.889 1.00 0.00 H > ATOM 275 2HG ARG A 16 5.314 -4.351 0.458 1.00 0.00 H > ATOM 276 1HD ARG A 16 5.833 -5.635 -1.470 1.00 0.00 H > ATOM 277 2HD ARG A 16 7.312 -4.810 -0.927 1.00 0.00 H > ATOM 278 HE ARG A 16 6.949 -7.534 0.060 1.00 0.00 H > ATOM 279 1HH1 ARG A 16 8.339 -5.451 -2.404 1.00 0.00 H > ATOM 280 2HH1 ARG A 16 9.547 -6.620 -2.889 1.00 0.00 H > ATOM 281 1HH2 ARG A 16 8.522 -9.043 -0.578 1.00 0.00 H > ATOM 282 2HH2 ARG A 16 9.651 -8.654 -1.856 1.00 0.00 H > ATOM 283 N LEU A 17 8.314 -3.362 4.194 1.00 0.00 N > ATOM 284 CA LEU A 17 9.334 -3.299 5.233 1.00 0.00 C > ATOM 285 C LEU A 17 8.723 -3.488 6.616 1.00 0.00 C > ATOM 286 O LEU A 17 7.976 -2.636 7.097 1.00 0.00 O > ATOM 287 CB LEU A 17 10.071 -1.956 5.172 1.00 0.00 C > ATOM 288 CG LEU A 17 11.225 -1.784 6.168 1.00 0.00 C > ATOM 289 CD1 LEU A 17 12.336 -2.771 5.835 1.00 0.00 C > ATOM 290 CD2 LEU A 17 11.733 -0.351 6.116 1.00 0.00 C > ATOM 291 H LEU A 17 8.306 -2.593 3.539 1.00 0.00 H > ATOM 292 HA LEU A 17 10.039 -4.114 5.066 1.00 0.00 H > ATOM 293 1HB LEU A 17 10.477 -1.828 4.170 1.00 0.00 H > ATOM 294 2HB LEU A 17 9.354 -1.156 5.356 1.00 0.00 H > ATOM 295 HG LEU A 17 10.873 -2.008 7.176 1.00 0.00 H > ATOM 296 1HD1 LEU A 17 13.156 -2.650 6.543 1.00 0.00 H > ATOM 297 2HD1 LEU A 17 11.950 -3.789 5.899 1.00 0.00 H > ATOM 298 3HD1 LEU A 17 12.698 -2.583 4.825 1.00 0.00 H > ATOM 299 1HD2 LEU A 17 12.553 -0.229 6.825 1.00 0.00 H > ATOM 300 2HD2 LEU A 17 12.087 -0.127 5.109 1.00 0.00 H > ATOM 301 3HD2 LEU A 17 10.924 0.331 6.376 1.00 0.00 H > ATOM 302 N PRO A 18 9.057 -4.633 7.259 1.00 0.00 N > ATOM 303 CA PRO A 18 8.617 -5.014 8.596 1.00 0.00 C > ATOM 304 C PRO A 18 8.949 -3.931 9.614 1.00 0.00 C > ATOM 305 O PRO A 18 8.195 -3.703 10.560 1.00 0.00 O > ATOM 306 CB PRO A 18 9.402 -6.302 8.863 1.00 0.00 C > ATOM 307 CG PRO A 18 9.625 -6.882 7.509 1.00 0.00 C > ATOM 308 CD PRO A 18 9.894 -5.690 6.630 1.00 0.00 C > ATOM 309 HA PRO A 18 7.533 -5.131 8.575 1.00 0.00 H > ATOM 310 1HB PRO A 18 10.340 -6.068 9.387 1.00 0.00 H > ATOM 311 2HB PRO A 18 8.822 -6.965 9.522 1.00 0.00 H > ATOM 312 1HG PRO A 18 10.467 -7.590 7.533 1.00 0.00 H > ATOM 313 2HG PRO A 18 8.740 -7.452 7.189 1.00 0.00 H > ATOM 314 1HD PRO A 18 10.965 -5.441 6.666 1.00 0.00 H > ATOM 315 2HD PRO A 18 9.583 -5.915 5.599 1.00 0.00 H > ATOM 316 N ARG A 19 10.153 -3.280 9.337 1.00 0.00 N > ATOM 317 CA ARG A 19 10.649 -2.307 10.303 1.00 0.00 C > ATOM 318 C ARG A 19 9.690 -1.133 10.445 1.00 0.00 C > ATOM 319 O ARG A 19 9.192 -0.602 9.451 1.00 0.00 O > ATOM 320 CB ARG A 19 12.019 -1.792 9.889 1.00 0.00 C > ATOM 321 CG ARG A 19 13.123 -2.838 9.887 1.00 0.00 C > ATOM 322 CD ARG A 19 13.485 -3.258 11.265 1.00 0.00 C > ATOM 323 NE ARG A 19 13.994 -2.147 12.053 1.00 0.00 N > ATOM 324 CZ ARG A 19 15.273 -1.723 12.040 1.00 0.00 C > ATOM 325 NH1 ARG A 19 16.157 -2.325 11.276 1.00 0.00 N > ATOM 326 NH2 ARG A 19 15.638 -0.702 12.795 1.00 0.00 N > ATOM 327 H ARG A 19 10.645 -3.497 8.481 1.00 0.00 H > ATOM 328 HA ARG A 19 10.720 -2.800 11.273 1.00 0.00 H > ATOM 329 1HB ARG A 19 11.962 -1.371 8.886 1.00 0.00 H > ATOM 330 2HB ARG A 19 12.326 -0.991 10.563 1.00 0.00 H > ATOM 331 1HG ARG A 19 12.788 -3.718 9.337 1.00 0.00 H > ATOM 332 2HG ARG A 19 14.013 -2.428 9.408 1.00 0.00 H > ATOM 333 1HD ARG A 19 12.604 -3.656 11.767 1.00 0.00 H > ATOM 334 2HD ARG A 19 14.255 -4.026 11.220 1.00 0.00 H > ATOM 335 HE ARG A 19 13.343 -1.659 12.654 1.00 0.00 H > ATOM 336 1HH1 ARG A 19 15.878 -3.105 10.698 1.00 0.00 H > ATOM 337 2HH1 ARG A 19 17.116 -2.007 11.266 1.00 0.00 H > ATOM 338 1HH2 ARG A 19 14.959 -0.239 13.383 1.00 0.00 H > ATOM 339 2HH2 ARG A 19 16.596 -0.384 12.785 1.00 0.00 H > ATOM 340 N ASP A 20 9.384 -0.672 11.672 1.00 0.00 N > ATOM 341 CA ASP A 20 8.499 0.472 11.858 1.00 0.00 C > ATOM 342 C ASP A 20 8.980 1.361 12.998 1.00 0.00 C > ATOM 343 O ASP A 20 8.206 1.723 13.883 1.00 0.00 O > ATOM 344 CB ASP A 20 7.069 0.004 12.135 1.00 0.00 C > ATOM 345 CG ASP A 20 6.951 -0.818 13.412 1.00 0.00 C > ATOM 346 OD1 ASP A 20 7.962 -1.088 14.017 1.00 0.00 O > ATOM 347 OD2 ASP A 20 5.852 -1.167 13.770 1.00 0.00 O > ATOM 348 H ASP A 20 9.776 -1.128 12.484 1.00 0.00 H > ATOM 349 HA ASP A 20 8.516 1.064 10.943 1.00 0.00 H > ATOM 350 1HB ASP A 20 6.412 0.871 12.217 1.00 0.00 H > ATOM 351 2HB ASP A 20 6.714 -0.598 11.299 1.00 0.00 H > HETATM 352 CM1 TBS A 21 2.902 5.548 -0.301 1.00 0.00 C > HETATM 353 C1 TBS A 21 1.403 5.561 -0.145 1.00 0.00 C > HETATM 354 C2 TBS A 21 0.819 5.554 1.130 1.00 0.00 C > HETATM 355 H1 TBS A 21 3.177 6.029 -1.248 1.00 0.00 H > HETATM 356 H2 TBS A 21 3.360 6.136 0.502 1.00 0.00 H > HETATM 357 H3 TBS A 21 1.457 5.528 2.012 1.00 0.00 H 479,835c479,835 < ATOM 359 N ASP B 1 10.312 1.600 12.913 1.00 0.00 N < ATOM 360 CA ASP B 1 10.971 2.431 13.913 1.00 0.00 C < ATOM 361 C ASP B 1 10.826 3.911 13.582 1.00 0.00 C < ATOM 362 O ASP B 1 10.727 4.750 14.477 1.00 0.00 O < ATOM 363 CB ASP B 1 12.455 2.069 14.019 1.00 0.00 C < ATOM 364 CG ASP B 1 12.684 0.652 14.527 1.00 0.00 C < ATOM 365 OD1 ASP B 1 12.208 0.340 15.593 1.00 0.00 O < ATOM 366 OD2 ASP B 1 13.333 -0.104 13.845 1.00 0.00 O < ATOM 367 H ASP B 1 10.844 1.268 12.121 1.00 0.00 H < ATOM 368 HA ASP B 1 10.486 2.254 14.873 1.00 0.00 H < ATOM 369 1HB ASP B 1 12.924 2.169 13.040 1.00 0.00 H < ATOM 370 2HB ASP B 1 12.952 2.767 14.693 1.00 0.00 H < ATOM 371 N ARG B 2 10.821 4.162 12.208 1.00 0.00 N < ATOM 372 CA ARG B 2 10.640 5.538 11.764 1.00 0.00 C < ATOM 373 C ARG B 2 9.177 5.954 11.841 1.00 0.00 C < ATOM 374 O ARG B 2 8.286 5.203 11.444 1.00 0.00 O < ATOM 375 CB ARG B 2 11.138 5.710 10.336 1.00 0.00 C < ATOM 376 CG ARG B 2 11.218 7.150 9.855 1.00 0.00 C < ATOM 377 CD ARG B 2 11.757 7.239 8.474 1.00 0.00 C < ATOM 378 NE ARG B 2 11.787 8.610 7.990 1.00 0.00 N < ATOM 379 CZ ARG B 2 12.830 9.450 8.137 1.00 0.00 C < ATOM 380 NH1 ARG B 2 13.918 9.046 8.755 1.00 0.00 N < ATOM 381 NH2 ARG B 2 12.759 10.681 7.661 1.00 0.00 N < ATOM 382 H ARG B 2 10.938 3.433 11.518 1.00 0.00 H < ATOM 383 HA ARG B 2 11.208 6.187 12.431 1.00 0.00 H < ATOM 384 1HB ARG B 2 12.132 5.275 10.243 1.00 0.00 H < ATOM 385 2HB ARG B 2 10.480 5.171 9.654 1.00 0.00 H < ATOM 386 1HG ARG B 2 10.222 7.592 9.863 1.00 0.00 H < ATOM 387 2HG ARG B 2 11.873 7.719 10.516 1.00 0.00 H < ATOM 388 1HD ARG B 2 12.774 6.848 8.455 1.00 0.00 H < ATOM 389 2HD ARG B 2 11.132 6.654 7.801 1.00 0.00 H < ATOM 390 HE ARG B 2 10.968 8.957 7.510 1.00 0.00 H < ATOM 391 1HH1 ARG B 2 13.972 8.105 9.119 1.00 0.00 H < ATOM 392 2HH1 ARG B 2 14.699 9.676 8.865 1.00 0.00 H < ATOM 393 1HH2 ARG B 2 11.922 10.992 7.186 1.00 0.00 H < ATOM 394 2HH2 ARG B 2 13.540 11.310 7.771 1.00 0.00 H < ATOM 395 N PRO B 3 8.853 7.156 12.349 1.00 0.00 N < ATOM 396 CA PRO B 3 7.469 7.607 12.435 1.00 0.00 C < ATOM 397 C PRO B 3 6.772 7.507 11.085 1.00 0.00 C < ATOM 398 O PRO B 3 5.585 7.188 11.010 1.00 0.00 O < ATOM 399 CB PRO B 3 7.608 9.062 12.893 1.00 0.00 C < ATOM 400 CG PRO B 3 8.871 9.077 13.685 1.00 0.00 C < ATOM 401 CD PRO B 3 9.791 8.148 12.940 1.00 0.00 C < ATOM 402 HA PRO B 3 6.943 6.953 13.132 1.00 0.00 H < ATOM 403 1HB PRO B 3 7.644 9.730 12.019 1.00 0.00 H < ATOM 404 2HB PRO B 3 6.729 9.356 13.486 1.00 0.00 H < ATOM 405 1HG PRO B 3 9.266 10.102 13.750 1.00 0.00 H < ATOM 406 2HG PRO B 3 8.677 8.745 14.715 1.00 0.00 H < ATOM 407 1HD PRO B 3 10.331 8.709 12.163 1.00 0.00 H < ATOM 408 2HD PRO B 3 10.497 7.686 13.646 1.00 0.00 H < ATOM 409 N ASP B 4 7.473 7.772 9.977 1.00 0.00 N < ATOM 410 CA ASP B 4 7.009 7.679 8.597 1.00 0.00 C < ATOM 411 C ASP B 4 6.545 6.267 8.266 1.00 0.00 C < ATOM 412 O ASP B 4 5.474 6.074 7.691 1.00 0.00 O < ATOM 413 CB ASP B 4 8.118 8.099 7.629 1.00 0.00 C < ATOM 414 CG ASP B 4 8.401 9.595 7.665 1.00 0.00 C < ATOM 415 OD1 ASP B 4 7.556 10.329 8.119 1.00 0.00 O < ATOM 416 OD2 ASP B 4 9.460 9.989 7.238 1.00 0.00 O < ATOM 417 H ASP B 4 8.434 8.073 10.062 1.00 0.00 H < ATOM 418 HA ASP B 4 6.156 8.347 8.482 1.00 0.00 H < ATOM 419 1HB ASP B 4 9.036 7.564 7.873 1.00 0.00 H < ATOM 420 2HB ASP B 4 7.838 7.821 6.613 1.00 0.00 H < ATOM 421 N LEU B 5 7.453 5.299 8.683 1.00 0.00 N < ATOM 422 CA LEU B 5 7.158 3.883 8.500 1.00 0.00 C < ATOM 423 C LEU B 5 5.970 3.454 9.352 1.00 0.00 C < ATOM 424 O LEU B 5 5.200 2.576 8.962 1.00 0.00 O < ATOM 425 CB LEU B 5 8.385 3.036 8.859 1.00 0.00 C < ATOM 426 CG LEU B 5 9.584 3.166 7.911 1.00 0.00 C < ATOM 427 CD1 LEU B 5 10.774 2.413 8.490 1.00 0.00 C < ATOM 428 CD2 LEU B 5 9.209 2.624 6.540 1.00 0.00 C < ATOM 429 H LEU B 5 8.319 5.590 9.114 1.00 0.00 H < ATOM 430 HA LEU B 5 6.894 3.724 7.455 1.00 0.00 H < ATOM 431 1HB LEU B 5 8.720 3.314 9.857 1.00 0.00 H < ATOM 432 2HB LEU B 5 8.090 1.987 8.878 1.00 0.00 H < ATOM 433 HG LEU B 5 9.865 4.216 7.822 1.00 0.00 H < ATOM 434 1HD1 LEU B 5 11.626 2.506 7.817 1.00 0.00 H < ATOM 435 2HD1 LEU B 5 11.033 2.834 9.462 1.00 0.00 H < ATOM 436 3HD1 LEU B 5 10.517 1.361 8.607 1.00 0.00 H < ATOM 437 1HD2 LEU B 5 10.061 2.718 5.866 1.00 0.00 H < ATOM 438 2HD2 LEU B 5 8.929 1.574 6.628 1.00 0.00 H < ATOM 439 3HD2 LEU B 5 8.367 3.192 6.142 1.00 0.00 H < ATOM 440 N ARG B 6 5.813 4.089 10.554 1.00 0.00 N < ATOM 441 CA ARG B 6 4.660 3.749 11.380 1.00 0.00 C < ATOM 442 C ARG B 6 3.371 4.291 10.777 1.00 0.00 C < ATOM 443 O ARG B 6 2.309 3.683 10.910 1.00 0.00 O < ATOM 444 CB ARG B 6 4.829 4.301 12.788 1.00 0.00 C < ATOM 445 CG ARG B 6 5.932 3.647 13.604 1.00 0.00 C < ATOM 446 CD ARG B 6 6.090 4.293 14.932 1.00 0.00 C < ATOM 447 NE ARG B 6 7.172 3.698 15.700 1.00 0.00 N < ATOM 448 CZ ARG B 6 7.547 4.097 16.930 1.00 0.00 C < ATOM 449 NH1 ARG B 6 6.920 5.092 17.518 1.00 0.00 N < ATOM 450 NH2 ARG B 6 8.546 3.489 17.547 1.00 0.00 N < ATOM 451 H ARG B 6 6.495 4.776 10.841 1.00 0.00 H < ATOM 452 HA ARG B 6 4.580 2.663 11.419 1.00 0.00 H < ATOM 453 1HB ARG B 6 5.045 5.368 12.737 1.00 0.00 H < ATOM 454 2HB ARG B 6 3.896 4.183 13.340 1.00 0.00 H < ATOM 455 1HG ARG B 6 5.694 2.595 13.761 1.00 0.00 H < ATOM 456 2HG ARG B 6 6.879 3.729 13.068 1.00 0.00 H < ATOM 457 1HD ARG B 6 6.311 5.352 14.797 1.00 0.00 H < ATOM 458 2HD ARG B 6 5.168 4.184 15.501 1.00 0.00 H < ATOM 459 HE ARG B 6 7.679 2.929 15.280 1.00 0.00 H < ATOM 460 1HH1 ARG B 6 6.157 5.556 17.047 1.00 0.00 H < ATOM 461 2HH1 ARG B 6 7.201 5.391 18.440 1.00 0.00 H < ATOM 462 1HH2 ARG B 6 9.028 2.725 17.095 1.00 0.00 H < ATOM 463 2HH2 ARG B 6 8.827 3.789 18.469 1.00 0.00 H < ATOM 464 N ASP B 7 3.365 5.432 10.093 1.00 0.00 N < ATOM 465 CA ASP B 7 2.229 6.014 9.389 1.00 0.00 C < ATOM 466 C ASP B 7 1.852 5.183 8.169 1.00 0.00 C < ATOM 467 O ASP B 7 0.672 5.007 7.867 1.00 0.00 O < ATOM 468 CB ASP B 7 2.542 7.449 8.959 1.00 0.00 C < ATOM 469 CG ASP B 7 1.326 8.182 8.408 1.00 0.00 C < ATOM 470 OD1 ASP B 7 0.340 8.261 9.102 1.00 0.00 O < ATOM 471 OD2 ASP B 7 1.395 8.655 7.299 1.00 0.00 O < ATOM 472 H ASP B 7 4.214 5.975 10.035 1.00 0.00 H < ATOM 473 HA ASP B 7 1.375 6.017 10.067 1.00 0.00 H < ATOM 474 1HB ASP B 7 2.930 8.008 9.811 1.00 0.00 H < ATOM 475 2HB ASP B 7 3.319 7.438 8.194 1.00 0.00 H < ATOM 476 N LEU B 8 2.922 4.679 7.481 1.00 0.00 N < ATOM 477 CA LEU B 8 2.804 3.758 6.357 1.00 0.00 C < ATOM 478 C LEU B 8 2.228 2.420 6.799 1.00 0.00 C < ATOM 479 O LEU B 8 1.467 1.788 6.066 1.00 0.00 O < ATOM 480 CB LEU B 8 4.174 3.542 5.703 1.00 0.00 C < ATOM 481 CG LEU B 8 4.721 4.726 4.895 1.00 0.00 C < ATOM 482 CD1 LEU B 8 6.161 4.443 4.489 1.00 0.00 C < ATOM 483 CD2 LEU B 8 3.843 4.955 3.673 1.00 0.00 C < ATOM 484 H LEU B 8 3.855 4.950 7.755 1.00 0.00 H < ATOM 485 HA LEU B 8 2.116 4.195 5.632 1.00 0.00 H < ATOM 486 1HB LEU B 8 4.898 3.310 6.482 1.00 0.00 H < ATOM 487 2HB LEU B 8 4.108 2.685 5.032 1.00 0.00 H < ATOM 488 HG LEU B 8 4.719 5.622 5.516 1.00 0.00 H < ATOM 489 1HD1 LEU B 8 6.549 5.284 3.915 1.00 0.00 H < ATOM 490 2HD1 LEU B 8 6.769 4.302 5.382 1.00 0.00 H < ATOM 491 3HD1 LEU B 8 6.196 3.541 3.879 1.00 0.00 H < ATOM 492 1HD2 LEU B 8 4.231 5.797 3.099 1.00 0.00 H < ATOM 493 2HD2 LEU B 8 3.845 4.060 3.051 1.00 0.00 H < ATOM 494 3HD2 LEU B 8 2.824 5.173 3.993 1.00 0.00 H < ATOM 495 N LEU B 9 2.646 2.020 8.065 1.00 0.00 N < ATOM 496 CA LEU B 9 2.008 0.845 8.649 1.00 0.00 C < ATOM 497 C LEU B 9 0.530 1.098 8.919 1.00 0.00 C < ATOM 498 O LEU B 9 -0.317 0.255 8.625 1.00 0.00 O < ATOM 499 CB LEU B 9 2.713 0.453 9.953 1.00 0.00 C < ATOM 500 CG LEU B 9 2.150 -0.782 10.668 1.00 0.00 C < ATOM 501 CD1 LEU B 9 2.251 -1.991 9.747 1.00 0.00 C < ATOM 502 CD2 LEU B 9 2.917 -1.014 11.961 1.00 0.00 C < ATOM 503 H LEU B 9 3.368 2.547 8.534 1.00 0.00 H < ATOM 504 HA LEU B 9 2.081 0.028 7.931 1.00 0.00 H < ATOM 505 1HB LEU B 9 3.762 0.261 9.737 1.00 0.00 H < ATOM 506 2HB LEU B 9 2.653 1.292 10.646 1.00 0.00 H < ATOM 507 HG LEU B 9 1.096 -0.623 10.895 1.00 0.00 H < ATOM 508 1HD1 LEU B 9 1.851 -2.869 10.255 1.00 0.00 H < ATOM 509 2HD1 LEU B 9 1.677 -1.806 8.839 1.00 0.00 H < ATOM 510 3HD1 LEU B 9 3.294 -2.166 9.489 1.00 0.00 H < ATOM 511 1HD2 LEU B 9 2.517 -1.892 12.469 1.00 0.00 H < ATOM 512 2HD2 LEU B 9 3.971 -1.175 11.735 1.00 0.00 H < ATOM 513 3HD2 LEU B 9 2.813 -0.142 12.607 1.00 0.00 H < ATOM 514 N ARG B 10 0.128 2.243 9.480 1.00 0.00 N < ATOM 515 CA ARG B 10 -1.273 2.603 9.658 1.00 0.00 C < ATOM 516 C ARG B 10 -2.030 2.539 8.337 1.00 0.00 C < ATOM 517 O ARG B 10 -3.124 1.981 8.264 1.00 0.00 O < ATOM 518 CB ARG B 10 -1.396 4.002 10.242 1.00 0.00 C < ATOM 519 CG ARG B 10 -2.823 4.488 10.443 1.00 0.00 C < ATOM 520 CD ARG B 10 -2.862 5.884 10.949 1.00 0.00 C < ATOM 521 NE ARG B 10 -2.265 6.819 10.007 1.00 0.00 N < ATOM 522 CZ ARG B 10 -2.904 7.347 8.945 1.00 0.00 C < ATOM 523 NH1 ARG B 10 -4.155 7.023 8.703 1.00 0.00 N < ATOM 524 NH2 ARG B 10 -2.273 8.189 8.146 1.00 0.00 N < ATOM 525 H ARG B 10 0.822 2.902 9.803 1.00 0.00 H < ATOM 526 HA ARG B 10 -1.725 1.880 10.337 1.00 0.00 H < ATOM 527 1HB ARG B 10 -0.897 4.038 11.209 1.00 0.00 H < ATOM 528 2HB ARG B 10 -0.894 4.715 9.588 1.00 0.00 H < ATOM 529 1HG ARG B 10 -3.357 4.452 9.493 1.00 0.00 H < ATOM 530 2HG ARG B 10 -3.327 3.847 11.167 1.00 0.00 H < ATOM 531 1HD ARG B 10 -3.896 6.182 11.115 1.00 0.00 H < ATOM 532 2HD ARG B 10 -2.311 5.947 11.886 1.00 0.00 H < ATOM 533 HE ARG B 10 -1.304 7.091 10.161 1.00 0.00 H < ATOM 534 1HH1 ARG B 10 -4.637 6.379 9.313 1.00 0.00 H < ATOM 535 2HH1 ARG B 10 -4.634 7.419 7.907 1.00 0.00 H < ATOM 536 1HH2 ARG B 10 -1.311 8.438 8.332 1.00 0.00 H < ATOM 537 2HH2 ARG B 10 -2.751 8.585 7.351 1.00 0.00 H < ATOM 538 N CYX B 11 -1.455 3.115 7.266 1.00 0.00 N < ATOM 539 CA CYX B 11 -1.959 3.104 5.898 1.00 0.00 C < ATOM 540 C CYX B 11 -2.156 1.680 5.395 1.00 0.00 C < ATOM 541 O CYX B 11 -3.203 1.347 4.839 1.00 0.00 O < ATOM 542 CB CYX B 11 -0.998 3.841 4.965 1.00 0.00 C < ATOM 543 SG CYX B 11 -1.523 3.864 3.234 1.00 0.00 S < ATOM 544 H CYX B 11 -0.588 3.593 7.467 1.00 0.00 H < ATOM 545 HA CYX B 11 -2.921 3.616 5.880 1.00 0.00 H < ATOM 546 1HB CYX B 11 -0.887 4.873 5.298 1.00 0.00 H < ATOM 547 2HB CYX B 11 -0.015 3.374 5.012 1.00 0.00 H < ATOM 548 N LEU B 12 -1.046 0.871 5.643 1.00 0.00 N < ATOM 549 CA LEU B 12 -1.081 -0.528 5.234 1.00 0.00 C < ATOM 550 C LEU B 12 -2.292 -1.243 5.819 1.00 0.00 C < ATOM 551 O LEU B 12 -2.980 -1.990 5.124 1.00 0.00 O < ATOM 552 CB LEU B 12 0.203 -1.242 5.673 1.00 0.00 C < ATOM 553 CG LEU B 12 0.308 -2.722 5.285 1.00 0.00 C < ATOM 554 CD1 LEU B 12 0.279 -2.854 3.769 1.00 0.00 C < ATOM 555 CD2 LEU B 12 1.588 -3.309 5.861 1.00 0.00 C < ATOM 556 H LEU B 12 -0.219 1.229 6.099 1.00 0.00 H < ATOM 557 HA LEU B 12 -1.167 -0.561 4.148 1.00 0.00 H < ATOM 558 1HB LEU B 12 1.055 -0.724 5.236 1.00 0.00 H < ATOM 559 2HB LEU B 12 0.283 -1.177 6.758 1.00 0.00 H < ATOM 560 HG LEU B 12 -0.551 -3.264 5.683 1.00 0.00 H < ATOM 561 1HD1 LEU B 12 0.353 -3.906 3.493 1.00 0.00 H < ATOM 562 2HD1 LEU B 12 -0.656 -2.444 3.385 1.00 0.00 H < ATOM 563 3HD1 LEU B 12 1.118 -2.307 3.340 1.00 0.00 H < ATOM 564 1HD2 LEU B 12 1.662 -4.362 5.586 1.00 0.00 H < ATOM 565 2HD2 LEU B 12 2.447 -2.769 5.463 1.00 0.00 H < ATOM 566 3HD2 LEU B 12 1.574 -3.218 6.947 1.00 0.00 H < ATOM 567 N ASP B 13 -2.590 -1.032 7.126 1.00 0.00 N < ATOM 568 CA ASP B 13 -3.758 -1.674 7.719 1.00 0.00 C < ATOM 569 C ASP B 13 -5.042 -1.220 7.037 1.00 0.00 C < ATOM 570 O ASP B 13 -5.967 -2.009 6.845 1.00 0.00 O < ATOM 571 CB ASP B 13 -3.834 -1.370 9.217 1.00 0.00 C < ATOM 572 CG ASP B 13 -2.796 -2.132 10.030 1.00 0.00 C < ATOM 573 OD1 ASP B 13 -2.236 -3.070 9.513 1.00 0.00 O < ATOM 574 OD2 ASP B 13 -2.572 -1.769 11.160 1.00 0.00 O < ATOM 575 H ASP B 13 -1.995 -0.430 7.676 1.00 0.00 H < ATOM 576 HA ASP B 13 -3.664 -2.750 7.572 1.00 0.00 H < ATOM 577 1HB ASP B 13 -3.689 -0.302 9.380 1.00 0.00 H < ATOM 578 2HB ASP B 13 -4.826 -1.627 9.591 1.00 0.00 H < ATOM 579 N LEU B 14 -5.177 0.044 6.639 1.00 0.00 N < ATOM 580 CA LEU B 14 -6.320 0.633 5.952 1.00 0.00 C < ATOM 581 C LEU B 14 -6.468 0.069 4.545 1.00 0.00 C < ATOM 582 O LEU B 14 -7.582 -0.126 4.058 1.00 0.00 O < ATOM 583 CB LEU B 14 -6.170 2.158 5.885 1.00 0.00 C < ATOM 584 CG LEU B 14 -6.262 2.895 7.227 1.00 0.00 C < ATOM 585 CD1 LEU B 14 -5.909 4.363 7.026 1.00 0.00 C < ATOM 586 CD2 LEU B 14 -7.666 2.744 7.795 1.00 0.00 C < ATOM 587 H LEU B 14 -4.427 0.698 6.813 1.00 0.00 H < ATOM 588 HA LEU B 14 -7.220 0.376 6.511 1.00 0.00 H < ATOM 589 1HB LEU B 14 -5.203 2.393 5.444 1.00 0.00 H < ATOM 590 2HB LEU B 14 -6.949 2.556 5.235 1.00 0.00 H < ATOM 591 HG LEU B 14 -5.541 2.471 7.926 1.00 0.00 H < ATOM 592 1HD1 LEU B 14 -5.974 4.887 7.980 1.00 0.00 H < ATOM 593 2HD1 LEU B 14 -4.893 4.442 6.638 1.00 0.00 H < ATOM 594 3HD1 LEU B 14 -6.605 4.811 6.318 1.00 0.00 H < ATOM 595 1HD2 LEU B 14 -7.731 3.267 8.749 1.00 0.00 H < ATOM 596 2HD2 LEU B 14 -8.388 3.169 7.098 1.00 0.00 H < ATOM 597 3HD2 LEU B 14 -7.886 1.687 7.945 1.00 0.00 H < ATOM 598 N LEU B 15 -5.259 -0.178 3.929 1.00 0.00 N < ATOM 599 CA LEU B 15 -5.166 -0.840 2.634 1.00 0.00 C < ATOM 600 C LEU B 15 -5.609 -2.294 2.725 1.00 0.00 C < ATOM 601 O LEU B 15 -6.221 -2.826 1.799 1.00 0.00 O < ATOM 602 CB LEU B 15 -3.727 -0.770 2.105 1.00 0.00 C < ATOM 603 CG LEU B 15 -3.241 0.622 1.682 1.00 0.00 C < ATOM 604 CD1 LEU B 15 -1.747 0.572 1.393 1.00 0.00 C < ATOM 605 CD2 LEU B 15 -4.020 1.082 0.458 1.00 0.00 C < ATOM 606 H LEU B 15 -4.406 0.109 4.388 1.00 0.00 H < ATOM 607 HA LEU B 15 -5.836 -0.329 1.943 1.00 0.00 H < ATOM 608 1HB LEU B 15 -3.054 -1.134 2.880 1.00 0.00 H < ATOM 609 2HB LEU B 15 -3.643 -1.428 1.240 1.00 0.00 H < ATOM 610 HG LEU B 15 -3.399 1.327 2.499 1.00 0.00 H < ATOM 611 1HD1 LEU B 15 -1.401 1.562 1.092 1.00 0.00 H < ATOM 612 2HD1 LEU B 15 -1.213 0.259 2.290 1.00 0.00 H < ATOM 613 3HD1 LEU B 15 -1.555 -0.138 0.590 1.00 0.00 H < ATOM 614 1HD2 LEU B 15 -3.675 2.072 0.158 1.00 0.00 H < ATOM 615 2HD2 LEU B 15 -3.861 0.379 -0.359 1.00 0.00 H < ATOM 616 3HD2 LEU B 15 -5.082 1.125 0.698 1.00 0.00 H < ATOM 617 N ARG B 16 -5.273 -2.935 3.904 1.00 0.00 N < ATOM 618 CA ARG B 16 -5.735 -4.305 4.089 1.00 0.00 C < ATOM 619 C ARG B 16 -7.216 -4.343 4.444 1.00 0.00 C < ATOM 620 O ARG B 16 -7.927 -5.282 4.084 1.00 0.00 O < ATOM 621 CB ARG B 16 -4.937 -4.997 5.184 1.00 0.00 C < ATOM 622 CG ARG B 16 -3.475 -5.248 4.849 1.00 0.00 C < ATOM 623 CD ARG B 16 -2.688 -5.603 6.057 1.00 0.00 C < ATOM 624 NE ARG B 16 -3.094 -6.884 6.612 1.00 0.00 N < ATOM 625 CZ ARG B 16 -2.842 -7.286 7.873 1.00 0.00 C < ATOM 626 NH1 ARG B 16 -2.187 -6.497 8.696 1.00 0.00 N < ATOM 627 NH2 ARG B 16 -3.255 -8.473 8.283 1.00 0.00 N < ATOM 628 H ARG B 16 -4.723 -2.442 4.592 1.00 0.00 H < ATOM 629 HA ARG B 16 -5.604 -4.838 3.147 1.00 0.00 H < ATOM 630 1HB ARG B 16 -4.968 -4.395 6.092 1.00 0.00 H < ATOM 631 2HB ARG B 16 -5.393 -5.960 5.414 1.00 0.00 H < ATOM 632 1HG ARG B 16 -3.401 -6.070 4.137 1.00 0.00 H < ATOM 633 2HG ARG B 16 -3.043 -4.348 4.410 1.00 0.00 H < ATOM 634 1HD ARG B 16 -1.631 -5.663 5.798 1.00 0.00 H < ATOM 635 2HD ARG B 16 -2.830 -4.840 6.821 1.00 0.00 H < ATOM 636 HE ARG B 16 -3.601 -7.518 6.009 1.00 0.00 H < ATOM 637 1HH1 ARG B 16 -1.871 -5.590 8.382 1.00 0.00 H < ATOM 638 2HH1 ARG B 16 -1.998 -6.799 9.641 1.00 0.00 H < ATOM 639 1HH2 ARG B 16 -3.759 -9.079 7.651 1.00 0.00 H < ATOM 640 2HH2 ARG B 16 -3.066 -8.774 9.228 1.00 0.00 H < ATOM 641 N LEU B 17 -7.777 -3.363 5.150 1.00 0.00 N < ATOM 642 CA LEU B 17 -9.185 -3.301 5.524 1.00 0.00 C < ATOM 643 C LEU B 17 -10.086 -3.510 4.313 1.00 0.00 C < ATOM 644 O LEU B 17 -10.145 -2.668 3.418 1.00 0.00 O < ATOM 645 CB LEU B 17 -9.501 -1.949 6.176 1.00 0.00 C < ATOM 646 CG LEU B 17 -10.939 -1.775 6.683 1.00 0.00 C < ATOM 647 CD1 LEU B 17 -11.197 -2.749 7.825 1.00 0.00 C < ATOM 648 CD2 LEU B 17 -11.148 -0.337 7.133 1.00 0.00 C < ATOM 649 H LEU B 17 -7.205 -2.592 5.462 1.00 0.00 H < ATOM 650 HA LEU B 17 -9.384 -4.106 6.231 1.00 0.00 H < ATOM 651 1HB LEU B 17 -8.832 -1.808 7.024 1.00 0.00 H < ATOM 652 2HB LEU B 17 -9.307 -1.159 5.451 1.00 0.00 H < ATOM 653 HG LEU B 17 -11.638 -2.010 5.880 1.00 0.00 H < ATOM 654 1HD1 LEU B 17 -12.218 -2.625 8.185 1.00 0.00 H < ATOM 655 2HD1 LEU B 17 -11.059 -3.770 7.470 1.00 0.00 H < ATOM 656 3HD1 LEU B 17 -10.499 -2.549 8.638 1.00 0.00 H < ATOM 657 1HD2 LEU B 17 -12.170 -0.213 7.492 1.00 0.00 H < ATOM 658 2HD2 LEU B 17 -10.449 -0.101 7.936 1.00 0.00 H < ATOM 659 3HD2 LEU B 17 -10.974 0.336 6.293 1.00 0.00 H < ATOM 660 N PRO B 18 -10.798 -4.663 4.298 1.00 0.00 N < ATOM 661 CA PRO B 18 -11.741 -5.063 3.261 1.00 0.00 C < ATOM 662 C PRO B 18 -12.802 -3.993 3.038 1.00 0.00 C < ATOM 663 O PRO B 18 -13.253 -3.778 1.913 1.00 0.00 O < ATOM 664 CB PRO B 18 -12.349 -6.351 3.826 1.00 0.00 C < ATOM 665 CG PRO B 18 -11.274 -6.914 4.692 1.00 0.00 C < ATOM 666 CD PRO B 18 -10.653 -5.709 5.347 1.00 0.00 C < ATOM 667 HA PRO B 18 -11.188 -5.185 2.329 1.00 0.00 H < ATOM 668 1HB PRO B 18 -13.269 -6.121 4.383 1.00 0.00 H < ATOM 669 2HB PRO B 18 -12.631 -7.026 3.004 1.00 0.00 H < ATOM 670 1HG PRO B 18 -11.702 -7.618 5.420 1.00 0.00 H < ATOM 671 2HG PRO B 18 -10.555 -7.483 4.084 1.00 0.00 H < ATOM 672 1HD PRO B 18 -11.214 -5.457 6.259 1.00 0.00 H < ATOM 673 2HD PRO B 18 -9.600 -5.922 5.586 1.00 0.00 H < ATOM 674 N ARG B 19 -13.163 -3.336 4.217 1.00 0.00 N < ATOM 675 CA ARG B 19 -14.255 -2.372 4.162 1.00 0.00 C < ATOM 676 C ARG B 19 -13.905 -1.195 3.259 1.00 0.00 C < ATOM 677 O ARG B 19 -12.811 -0.637 3.347 1.00 0.00 O < ATOM 678 CB ARG B 19 -14.586 -1.858 5.555 1.00 0.00 C < ATOM 679 CG ARG B 19 -15.133 -2.907 6.510 1.00 0.00 C < ATOM 680 CD ARG B 19 -16.507 -3.329 6.134 1.00 0.00 C < ATOM 681 NE ARG B 19 -17.449 -2.223 6.190 1.00 0.00 N < ATOM 682 CZ ARG B 19 -18.080 -1.812 7.306 1.00 0.00 C < ATOM 683 NH1 ARG B 19 -17.861 -2.423 8.449 1.00 0.00 N < ATOM 684 NH2 ARG B 19 -18.921 -0.793 7.253 1.00 0.00 N < ATOM 685 H ARG B 19 -12.662 -3.545 5.069 1.00 0.00 H < ATOM 686 HA ARG B 19 -15.126 -2.871 3.737 1.00 0.00 H < ATOM 687 1HB ARG B 19 -13.692 -1.434 6.008 1.00 0.00 H < ATOM 688 2HB ARG B 19 -15.326 -1.061 5.482 1.00 0.00 H < ATOM 689 1HG ARG B 19 -14.488 -3.785 6.494 1.00 0.00 H < ATOM 690 2HG ARG B 19 -15.165 -2.498 7.520 1.00 0.00 H < ATOM 691 1HD ARG B 19 -16.501 -3.721 5.117 1.00 0.00 H < ATOM 692 2HD ARG B 19 -16.849 -4.104 6.819 1.00 0.00 H < ATOM 693 HE ARG B 19 -17.644 -1.728 5.330 1.00 0.00 H < ATOM 694 1HH1 ARG B 19 -17.218 -3.202 8.490 1.00 0.00 H < ATOM 695 2HH1 ARG B 19 -18.334 -2.115 9.286 1.00 0.00 H < ATOM 696 1HH2 ARG B 19 -19.090 -0.323 6.374 1.00 0.00 H < ATOM 697 2HH2 ARG B 19 -19.394 -0.485 8.089 1.00 0.00 H < ATOM 698 N ASP B 20 -14.806 -0.763 2.357 1.00 0.00 N < ATOM 699 CA ASP B 20 -14.533 0.383 1.498 1.00 0.00 C < ATOM 700 C ASP B 20 -15.771 1.255 1.334 1.00 0.00 C < ATOM 701 O ASP B 20 -16.167 1.584 0.216 1.00 0.00 O < ATOM 702 CB ASP B 20 -14.043 -0.081 0.124 1.00 0.00 C < ATOM 703 CG ASP B 20 -15.072 -0.923 -0.619 1.00 0.00 C < ATOM 704 OD1 ASP B 20 -16.093 -1.220 -0.045 1.00 0.00 O < ATOM 705 OD2 ASP B 20 -14.827 -1.261 -1.752 1.00 0.00 O < ATOM 706 H ASP B 20 -15.691 -1.242 2.272 1.00 0.00 H < ATOM 707 HA ASP B 20 -13.760 0.986 1.973 1.00 0.00 H < ATOM 708 1HB ASP B 20 -13.797 0.787 -0.487 1.00 0.00 H < ATOM 709 2HB ASP B 20 -13.132 -0.668 0.242 1.00 0.00 H < HETATM 710 CM1 TBS B 21 -1.181 5.531 2.668 1.00 0.00 C < HETATM 711 C1 TBS B 21 -0.571 5.543 1.290 1.00 0.00 C < HETATM 712 C2 TBS B 21 -1.387 5.537 0.149 1.00 0.00 C < HETATM 713 H1 TBS B 21 -0.502 6.022 3.375 1.00 0.00 H < HETATM 714 H2 TBS B 21 -2.112 6.109 2.663 1.00 0.00 H < HETATM 715 H3 TBS B 21 -2.470 5.511 0.264 1.00 0.00 H --- > ATOM 359 N ASP B 1 10.259 1.680 12.928 1.00 0.00 N > ATOM 360 CA ASP B 1 10.922 2.522 13.917 1.00 0.00 C > ATOM 361 C ASP B 1 10.805 3.996 13.552 1.00 0.00 C > ATOM 362 O ASP B 1 10.714 4.857 14.428 1.00 0.00 O > ATOM 363 CB ASP B 1 12.398 2.138 14.045 1.00 0.00 C > ATOM 364 CG ASP B 1 12.599 0.731 14.594 1.00 0.00 C > ATOM 365 OD1 ASP B 1 12.090 0.450 15.653 1.00 0.00 O > ATOM 366 OD2 ASP B 1 13.258 -0.048 13.948 1.00 0.00 O > ATOM 367 H ASP B 1 10.794 1.320 12.151 1.00 0.00 H > ATOM 368 HA ASP B 1 10.425 2.374 14.875 1.00 0.00 H > ATOM 369 1HB ASP B 1 12.877 2.203 13.068 1.00 0.00 H > ATOM 370 2HB ASP B 1 12.902 2.845 14.705 1.00 0.00 H > ATOM 371 N ARG B 2 10.815 4.217 12.173 1.00 0.00 N > ATOM 372 CA ARG B 2 10.658 5.586 11.697 1.00 0.00 C > ATOM 373 C ARG B 2 9.202 6.030 11.767 1.00 0.00 C > ATOM 374 O ARG B 2 8.298 5.286 11.388 1.00 0.00 O > ATOM 375 CB ARG B 2 11.156 5.716 10.266 1.00 0.00 C > ATOM 376 CG ARG B 2 11.263 7.143 9.752 1.00 0.00 C > ATOM 377 CD ARG B 2 11.803 7.190 8.369 1.00 0.00 C > ATOM 378 NE ARG B 2 11.861 8.550 7.856 1.00 0.00 N > ATOM 379 CZ ARG B 2 12.920 9.373 7.988 1.00 0.00 C > ATOM 380 NH1 ARG B 2 13.998 8.961 8.618 1.00 0.00 N > ATOM 381 NH2 ARG B 2 12.875 10.594 7.485 1.00 0.00 N > ATOM 382 H ARG B 2 10.926 3.472 11.501 1.00 0.00 H > ATOM 383 HA ARG B 2 11.238 6.240 12.349 1.00 0.00 H > ATOM 384 1HB ARG B 2 12.142 5.261 10.181 1.00 0.00 H > ATOM 385 2HB ARG B 2 10.487 5.174 9.597 1.00 0.00 H > ATOM 386 1HG ARG B 2 10.274 7.604 9.750 1.00 0.00 H > ATOM 387 2HG ARG B 2 11.928 7.714 10.400 1.00 0.00 H > ATOM 388 1HD ARG B 2 12.812 6.778 8.359 1.00 0.00 H > ATOM 389 2HD ARG B 2 11.165 6.604 7.709 1.00 0.00 H > ATOM 390 HE ARG B 2 11.050 8.902 7.365 1.00 0.00 H > ATOM 391 1HH1 ARG B 2 14.032 8.027 9.003 1.00 0.00 H > ATOM 392 2HH1 ARG B 2 14.791 9.578 8.718 1.00 0.00 H > ATOM 393 1HH2 ARG B 2 12.046 10.910 7.000 1.00 0.00 H > ATOM 394 2HH2 ARG B 2 13.667 11.210 7.584 1.00 0.00 H > ATOM 395 N PRO B 3 8.900 7.248 12.249 1.00 0.00 N > ATOM 396 CA PRO B 3 7.525 7.726 12.325 1.00 0.00 C > ATOM 397 C PRO B 3 6.825 7.605 10.978 1.00 0.00 C > ATOM 398 O PRO B 3 5.635 7.294 10.912 1.00 0.00 O > ATOM 399 CB PRO B 3 7.691 9.189 12.746 1.00 0.00 C > ATOM 400 CG PRO B 3 8.954 9.201 13.538 1.00 0.00 C > ATOM 401 CD PRO B 3 9.857 8.237 12.817 1.00 0.00 C > ATOM 402 HA PRO B 3 6.988 7.100 13.038 1.00 0.00 H > ATOM 403 1HB PRO B 3 7.740 9.834 11.856 1.00 0.00 H > ATOM 404 2HB PRO B 3 6.818 9.514 13.331 1.00 0.00 H > ATOM 405 1HG PRO B 3 9.368 10.220 13.579 1.00 0.00 H > ATOM 406 2HG PRO B 3 8.754 8.898 14.577 1.00 0.00 H > ATOM 407 1HD PRO B 3 10.408 8.770 12.028 1.00 0.00 H > ATOM 408 2HD PRO B 3 10.554 7.779 13.535 1.00 0.00 H > ATOM 409 N ASP B 4 7.525 7.844 9.864 1.00 0.00 N > ATOM 410 CA ASP B 4 7.057 7.728 8.488 1.00 0.00 C > ATOM 411 C ASP B 4 6.560 6.319 8.191 1.00 0.00 C > ATOM 412 O ASP B 4 5.484 6.137 7.621 1.00 0.00 O > ATOM 413 CB ASP B 4 8.174 8.099 7.508 1.00 0.00 C > ATOM 414 CG ASP B 4 8.495 9.587 7.512 1.00 0.00 C > ATOM 415 OD1 ASP B 4 7.672 10.352 7.956 1.00 0.00 O > ATOM 416 OD2 ASP B 4 9.561 9.945 7.070 1.00 0.00 O > ATOM 417 H ASP B 4 8.488 8.138 9.941 1.00 0.00 H > ATOM 418 HA ASP B 4 6.219 8.413 8.356 1.00 0.00 H > ATOM 419 1HB ASP B 4 9.079 7.546 7.762 1.00 0.00 H > ATOM 420 2HB ASP B 4 7.884 7.807 6.499 1.00 0.00 H > ATOM 421 N LEU B 5 7.446 5.341 8.631 1.00 0.00 N > ATOM 422 CA LEU B 5 7.124 3.928 8.470 1.00 0.00 C > ATOM 423 C LEU B 5 5.932 3.533 9.331 1.00 0.00 C > ATOM 424 O LEU B 5 5.149 2.658 8.961 1.00 0.00 O > ATOM 425 CB LEU B 5 8.337 3.064 8.837 1.00 0.00 C > ATOM 426 CG LEU B 5 9.536 3.162 7.885 1.00 0.00 C > ATOM 427 CD1 LEU B 5 10.715 2.398 8.473 1.00 0.00 C > ATOM 428 CD2 LEU B 5 9.150 2.607 6.523 1.00 0.00 C > ATOM 429 H LEU B 5 8.314 5.622 9.063 1.00 0.00 H > ATOM 430 HA LEU B 5 6.854 3.759 7.428 1.00 0.00 H > ATOM 431 1HB LEU B 5 8.679 3.349 9.831 1.00 0.00 H > ATOM 432 2HB LEU B 5 8.023 2.020 8.868 1.00 0.00 H > ATOM 433 HG LEU B 5 9.834 4.205 7.781 1.00 0.00 H > ATOM 434 1HD1 LEU B 5 11.567 2.468 7.797 1.00 0.00 H > ATOM 435 2HD1 LEU B 5 10.983 2.828 9.438 1.00 0.00 H > ATOM 436 3HD1 LEU B 5 10.442 1.352 8.605 1.00 0.00 H > ATOM 437 1HD2 LEU B 5 10.002 2.677 5.846 1.00 0.00 H > ATOM 438 2HD2 LEU B 5 8.854 1.562 6.626 1.00 0.00 H > ATOM 439 3HD2 LEU B 5 8.317 3.182 6.118 1.00 0.00 H > ATOM 440 N ARG B 6 5.784 4.196 10.520 1.00 0.00 N > ATOM 441 CA ARG B 6 4.635 3.881 11.360 1.00 0.00 C > ATOM 442 C ARG B 6 3.345 4.417 10.752 1.00 0.00 C > ATOM 443 O ARG B 6 2.283 3.810 10.891 1.00 0.00 O > ATOM 444 CB ARG B 6 4.815 4.462 12.754 1.00 0.00 C > ATOM 445 CG ARG B 6 5.918 3.817 13.579 1.00 0.00 C > ATOM 446 CD ARG B 6 6.088 4.490 14.892 1.00 0.00 C > ATOM 447 NE ARG B 6 7.163 3.897 15.670 1.00 0.00 N > ATOM 448 CZ ARG B 6 7.543 4.316 16.893 1.00 0.00 C > ATOM 449 NH1 ARG B 6 6.926 5.328 17.463 1.00 0.00 N > ATOM 450 NH2 ARG B 6 8.535 3.709 17.521 1.00 0.00 N > ATOM 451 H ARG B 6 6.472 4.886 10.787 1.00 0.00 H > ATOM 452 HA ARG B 6 4.549 2.796 11.423 1.00 0.00 H > ATOM 453 1HB ARG B 6 5.040 5.525 12.679 1.00 0.00 H > ATOM 454 2HB ARG B 6 3.884 4.363 13.313 1.00 0.00 H > ATOM 455 1HG ARG B 6 5.672 2.770 13.760 1.00 0.00 H > ATOM 456 2HG ARG B 6 6.862 3.879 13.037 1.00 0.00 H > ATOM 457 1HD ARG B 6 6.322 5.543 14.733 1.00 0.00 H > ATOM 458 2HD ARG B 6 5.166 4.407 15.465 1.00 0.00 H > ATOM 459 HE ARG B 6 7.661 3.116 15.265 1.00 0.00 H > ATOM 460 1HH1 ARG B 6 6.168 5.792 16.983 1.00 0.00 H > ATOM 461 2HH1 ARG B 6 7.211 5.642 18.379 1.00 0.00 H > ATOM 462 1HH2 ARG B 6 9.009 2.930 17.084 1.00 0.00 H > ATOM 463 2HH2 ARG B 6 8.819 4.022 18.437 1.00 0.00 H > ATOM 464 N ASP B 7 3.339 5.553 10.060 1.00 0.00 N > ATOM 465 CA ASP B 7 2.203 6.128 9.349 1.00 0.00 C > ATOM 466 C ASP B 7 1.821 5.279 8.143 1.00 0.00 C > ATOM 467 O ASP B 7 0.640 5.102 7.845 1.00 0.00 O > ATOM 468 CB ASP B 7 2.519 7.555 8.897 1.00 0.00 C > ATOM 469 CG ASP B 7 2.510 8.556 10.045 1.00 0.00 C > ATOM 470 OD1 ASP B 7 1.943 8.252 11.067 1.00 0.00 O > ATOM 471 OD2 ASP B 7 3.071 9.614 9.888 1.00 0.00 O > ATOM 472 H ASP B 7 4.187 6.097 9.998 1.00 0.00 H > ATOM 473 HA ASP B 7 1.351 6.144 10.029 1.00 0.00 H > ATOM 474 1HB ASP B 7 3.500 7.577 8.422 1.00 0.00 H > ATOM 475 2HB ASP B 7 1.788 7.872 8.153 1.00 0.00 H > ATOM 476 N LEU B 8 2.888 4.762 7.460 1.00 0.00 N > ATOM 477 CA LEU B 8 2.764 3.824 6.351 1.00 0.00 C > ATOM 478 C LEU B 8 2.194 2.491 6.817 1.00 0.00 C > ATOM 479 O LEU B 8 1.436 1.843 6.095 1.00 0.00 O > ATOM 480 CB LEU B 8 4.131 3.600 5.691 1.00 0.00 C > ATOM 481 CG LEU B 8 4.673 4.775 4.868 1.00 0.00 C > ATOM 482 CD1 LEU B 8 6.111 4.488 4.458 1.00 0.00 C > ATOM 483 CD2 LEU B 8 3.790 4.991 3.648 1.00 0.00 C > ATOM 484 H LEU B 8 3.823 5.035 7.728 1.00 0.00 H > ATOM 485 HA LEU B 8 2.071 4.249 5.624 1.00 0.00 H > ATOM 486 1HB LEU B 8 4.860 3.377 6.470 1.00 0.00 H > ATOM 487 2HB LEU B 8 4.061 2.736 5.030 1.00 0.00 H > ATOM 488 HG LEU B 8 4.675 5.678 5.479 1.00 0.00 H > ATOM 489 1HD1 LEU B 8 6.497 5.323 3.873 1.00 0.00 H > ATOM 490 2HD1 LEU B 8 6.725 4.358 5.350 1.00 0.00 H > ATOM 491 3HD1 LEU B 8 6.144 3.579 3.858 1.00 0.00 H > ATOM 492 1HD2 LEU B 8 4.175 5.827 3.063 1.00 0.00 H > ATOM 493 2HD2 LEU B 8 3.789 4.089 3.035 1.00 0.00 H > ATOM 494 3HD2 LEU B 8 2.772 5.211 3.970 1.00 0.00 H > ATOM 495 N LEU B 9 2.612 2.116 8.090 1.00 0.00 N > ATOM 496 CA LEU B 9 2.002 0.931 8.681 1.00 0.00 C > ATOM 497 C LEU B 9 0.512 1.140 8.922 1.00 0.00 C > ATOM 498 O LEU B 9 -0.304 0.273 8.613 1.00 0.00 O > ATOM 499 CB LEU B 9 2.695 0.581 10.004 1.00 0.00 C > ATOM 500 CG LEU B 9 2.155 -0.656 10.732 1.00 0.00 C > ATOM 501 CD1 LEU B 9 2.310 -1.879 9.838 1.00 0.00 C > ATOM 502 CD2 LEU B 9 2.902 -0.840 12.044 1.00 0.00 C > ATOM 503 H LEU B 9 3.315 2.668 8.560 1.00 0.00 H > ATOM 504 HA LEU B 9 2.113 0.106 7.978 1.00 0.00 H > ATOM 505 1HB LEU B 9 3.753 0.414 9.807 1.00 0.00 H > ATOM 506 2HB LEU B 9 2.603 1.431 10.680 1.00 0.00 H > ATOM 507 HG LEU B 9 1.092 -0.524 10.934 1.00 0.00 H > ATOM 508 1HD1 LEU B 9 1.925 -2.759 10.355 1.00 0.00 H > ATOM 509 2HD1 LEU B 9 1.750 -1.729 8.915 1.00 0.00 H > ATOM 510 3HD1 LEU B 9 3.363 -2.028 9.604 1.00 0.00 H > ATOM 511 1HD2 LEU B 9 2.517 -1.719 12.562 1.00 0.00 H > ATOM 512 2HD2 LEU B 9 3.965 -0.974 11.843 1.00 0.00 H > ATOM 513 3HD2 LEU B 9 2.759 0.041 12.670 1.00 0.00 H > ATOM 514 N ARG B 10 0.066 2.273 9.474 1.00 0.00 N > ATOM 515 CA ARG B 10 -1.349 2.584 9.640 1.00 0.00 C > ATOM 516 C ARG B 10 -2.088 2.512 8.310 1.00 0.00 C > ATOM 517 O ARG B 10 -3.168 1.928 8.220 1.00 0.00 O > ATOM 518 CB ARG B 10 -1.525 3.972 10.239 1.00 0.00 C > ATOM 519 CG ARG B 10 -2.960 4.346 10.574 1.00 0.00 C > ATOM 520 CD ARG B 10 -3.054 5.720 11.131 1.00 0.00 C > ATOM 521 NE ARG B 10 -2.230 5.881 12.319 1.00 0.00 N > ATOM 522 CZ ARG B 10 -1.075 6.573 12.360 1.00 0.00 C > ATOM 523 NH1 ARG B 10 -0.622 7.161 11.275 1.00 0.00 N > ATOM 524 NH2 ARG B 10 -0.397 6.661 13.491 1.00 0.00 N > ATOM 525 H ARG B 10 0.733 2.958 9.799 1.00 0.00 H > ATOM 526 HA ARG B 10 -1.784 1.839 10.305 1.00 0.00 H > ATOM 527 1HB ARG B 10 -0.942 4.048 11.156 1.00 0.00 H > ATOM 528 2HB ARG B 10 -1.143 4.719 9.544 1.00 0.00 H > ATOM 529 1HG ARG B 10 -3.569 4.300 9.671 1.00 0.00 H > ATOM 530 2HG ARG B 10 -3.355 3.648 11.314 1.00 0.00 H > ATOM 531 1HD ARG B 10 -2.719 6.439 10.384 1.00 0.00 H > ATOM 532 2HD ARG B 10 -4.087 5.932 11.402 1.00 0.00 H > ATOM 533 HE ARG B 10 -2.546 5.442 13.173 1.00 0.00 H > ATOM 534 1HH1 ARG B 10 -1.140 7.094 10.410 1.00 0.00 H > ATOM 535 2HH1 ARG B 10 0.244 7.680 11.306 1.00 0.00 H > ATOM 536 1HH2 ARG B 10 -0.745 6.208 14.325 1.00 0.00 H > ATOM 537 2HH2 ARG B 10 0.468 7.179 13.522 1.00 0.00 H > ATOM 538 N CYX B 11 -1.513 3.108 7.249 1.00 0.00 N > ATOM 539 CA CYX B 11 -2.001 3.096 5.875 1.00 0.00 C > ATOM 540 C CYX B 11 -2.174 1.671 5.364 1.00 0.00 C > ATOM 541 O CYX B 11 -3.206 1.330 4.787 1.00 0.00 O > ATOM 542 CB CYX B 11 -1.039 3.849 4.956 1.00 0.00 C > ATOM 543 SG CYX B 11 -1.550 3.883 3.221 1.00 0.00 S > ATOM 544 H CYX B 11 -0.660 3.604 7.464 1.00 0.00 H > ATOM 545 HA CYX B 11 -2.970 3.595 5.848 1.00 0.00 H > ATOM 546 1HB CYX B 11 -0.940 4.879 5.299 1.00 0.00 H > ATOM 547 2HB CYX B 11 -0.052 3.390 5.008 1.00 0.00 H > ATOM 548 N LEU B 12 -1.061 0.873 5.633 1.00 0.00 N > ATOM 549 CA LEU B 12 -1.079 -0.528 5.229 1.00 0.00 C > ATOM 550 C LEU B 12 -2.292 -1.251 5.799 1.00 0.00 C > ATOM 551 O LEU B 12 -2.964 -2.005 5.095 1.00 0.00 O > ATOM 552 CB LEU B 12 0.205 -1.229 5.691 1.00 0.00 C > ATOM 553 CG LEU B 12 0.326 -2.711 5.314 1.00 0.00 C > ATOM 554 CD1 LEU B 12 0.317 -2.853 3.798 1.00 0.00 C > ATOM 555 CD2 LEU B 12 1.604 -3.284 5.909 1.00 0.00 C > ATOM 556 H LEU B 12 -0.244 1.240 6.101 1.00 0.00 H > ATOM 557 HA LEU B 12 -1.147 -0.566 4.142 1.00 0.00 H > ATOM 558 1HB LEU B 12 1.059 -0.708 5.262 1.00 0.00 H > ATOM 559 2HB LEU B 12 0.269 -1.157 6.776 1.00 0.00 H > ATOM 560 HG LEU B 12 -0.533 -3.257 5.705 1.00 0.00 H > ATOM 561 1HD1 LEU B 12 0.403 -3.906 3.530 1.00 0.00 H > ATOM 562 2HD1 LEU B 12 -0.616 -2.453 3.401 1.00 0.00 H > ATOM 563 3HD1 LEU B 12 1.157 -2.302 3.377 1.00 0.00 H > ATOM 564 1HD2 LEU B 12 1.689 -4.338 5.642 1.00 0.00 H > ATOM 565 2HD2 LEU B 12 2.463 -2.740 5.518 1.00 0.00 H > ATOM 566 3HD2 LEU B 12 1.575 -3.186 6.995 1.00 0.00 H > ATOM 567 N ASP B 13 -2.611 -1.039 7.101 1.00 0.00 N > ATOM 568 CA ASP B 13 -3.782 -1.688 7.678 1.00 0.00 C > ATOM 569 C ASP B 13 -5.062 -1.219 6.999 1.00 0.00 C > ATOM 570 O ASP B 13 -5.994 -2.000 6.802 1.00 0.00 O > ATOM 571 CB ASP B 13 -3.863 -1.410 9.181 1.00 0.00 C > ATOM 572 CG ASP B 13 -2.831 -2.190 9.984 1.00 0.00 C > ATOM 573 OD1 ASP B 13 -2.282 -3.128 9.457 1.00 0.00 O > ATOM 574 OD2 ASP B 13 -2.602 -1.841 11.117 1.00 0.00 O > ATOM 575 H ASP B 13 -2.028 -0.430 7.657 1.00 0.00 H > ATOM 576 HA ASP B 13 -3.690 -2.762 7.513 1.00 0.00 H > ATOM 577 1HB ASP B 13 -3.715 -0.346 9.363 1.00 0.00 H > ATOM 578 2HB ASP B 13 -4.858 -1.669 9.546 1.00 0.00 H > ATOM 579 N LEU B 14 -5.188 0.048 6.610 1.00 0.00 N > ATOM 580 CA LEU B 14 -6.326 0.650 5.925 1.00 0.00 C > ATOM 581 C LEU B 14 -6.478 0.094 4.516 1.00 0.00 C > ATOM 582 O LEU B 14 -7.593 -0.084 4.025 1.00 0.00 O > ATOM 583 CB LEU B 14 -6.162 2.174 5.865 1.00 0.00 C > ATOM 584 CG LEU B 14 -6.250 2.906 7.210 1.00 0.00 C > ATOM 585 CD1 LEU B 14 -5.879 4.370 7.017 1.00 0.00 C > ATOM 586 CD2 LEU B 14 -7.657 2.769 7.772 1.00 0.00 C > ATOM 587 H LEU B 14 -4.433 0.695 6.790 1.00 0.00 H > ATOM 588 HA LEU B 14 -7.228 0.399 6.483 1.00 0.00 H > ATOM 589 1HB LEU B 14 -5.192 2.402 5.426 1.00 0.00 H > ATOM 590 2HB LEU B 14 -6.937 2.581 5.215 1.00 0.00 H > ATOM 591 HG LEU B 14 -5.536 2.471 7.909 1.00 0.00 H > ATOM 592 1HD1 LEU B 14 -5.941 4.891 7.973 1.00 0.00 H > ATOM 593 2HD1 LEU B 14 -4.861 4.440 6.632 1.00 0.00 H > ATOM 594 3HD1 LEU B 14 -6.567 4.830 6.309 1.00 0.00 H > ATOM 595 1HD2 LEU B 14 -7.719 3.289 8.729 1.00 0.00 H > ATOM 596 2HD2 LEU B 14 -8.372 3.205 7.075 1.00 0.00 H > ATOM 597 3HD2 LEU B 14 -7.889 1.714 7.917 1.00 0.00 H > ATOM 598 N LEU B 15 -5.270 -0.168 3.902 1.00 0.00 N > ATOM 599 CA LEU B 15 -5.183 -0.829 2.606 1.00 0.00 C > ATOM 600 C LEU B 15 -5.630 -2.282 2.697 1.00 0.00 C > ATOM 601 O LEU B 15 -6.258 -2.807 1.777 1.00 0.00 O > ATOM 602 CB LEU B 15 -3.746 -0.762 2.072 1.00 0.00 C > ATOM 603 CG LEU B 15 -3.258 0.629 1.648 1.00 0.00 C > ATOM 604 CD1 LEU B 15 -1.762 0.579 1.369 1.00 0.00 C > ATOM 605 CD2 LEU B 15 -4.029 1.084 0.418 1.00 0.00 C > ATOM 606 H LEU B 15 -4.415 0.106 4.364 1.00 0.00 H > ATOM 607 HA LEU B 15 -5.855 -0.315 1.918 1.00 0.00 H > ATOM 608 1HB LEU B 15 -3.072 -1.129 2.845 1.00 0.00 H > ATOM 609 2HB LEU B 15 -3.666 -1.420 1.207 1.00 0.00 H > ATOM 610 HG LEU B 15 -3.422 1.336 2.462 1.00 0.00 H > ATOM 611 1HD1 LEU B 15 -1.415 1.567 1.068 1.00 0.00 H > ATOM 612 2HD1 LEU B 15 -1.234 0.269 2.271 1.00 0.00 H > ATOM 613 3HD1 LEU B 15 -1.565 -0.134 0.569 1.00 0.00 H > ATOM 614 1HD2 LEU B 15 -3.682 2.074 0.117 1.00 0.00 H > ATOM 615 2HD2 LEU B 15 -3.865 0.379 -0.396 1.00 0.00 H > ATOM 616 3HD2 LEU B 15 -5.093 1.128 0.651 1.00 0.00 H > ATOM 617 N ARG B 16 -5.278 -2.930 3.866 1.00 0.00 N > ATOM 618 CA ARG B 16 -5.741 -4.301 4.051 1.00 0.00 C > ATOM 619 C ARG B 16 -7.224 -4.339 4.396 1.00 0.00 C > ATOM 620 O ARG B 16 -7.932 -5.276 4.028 1.00 0.00 O > ATOM 621 CB ARG B 16 -4.949 -4.989 5.152 1.00 0.00 C > ATOM 622 CG ARG B 16 -3.486 -5.244 4.825 1.00 0.00 C > ATOM 623 CD ARG B 16 -2.701 -5.580 6.040 1.00 0.00 C > ATOM 624 NE ARG B 16 -3.100 -6.858 6.607 1.00 0.00 N > ATOM 625 CZ ARG B 16 -2.941 -7.205 7.900 1.00 0.00 C > ATOM 626 NH1 ARG B 16 -2.391 -6.360 8.744 1.00 0.00 N > ATOM 627 NH2 ARG B 16 -3.337 -8.394 8.318 1.00 0.00 N > ATOM 628 H ARG B 16 -4.717 -2.442 4.549 1.00 0.00 H > ATOM 629 HA ARG B 16 -5.603 -4.834 3.111 1.00 0.00 H > ATOM 630 1HB ARG B 16 -4.983 -4.385 6.058 1.00 0.00 H > ATOM 631 2HB ARG B 16 -5.407 -5.951 5.383 1.00 0.00 H > ATOM 632 1HG ARG B 16 -3.409 -6.078 4.126 1.00 0.00 H > ATOM 633 2HG ARG B 16 -3.053 -4.351 4.373 1.00 0.00 H > ATOM 634 1HD ARG B 16 -1.643 -5.635 5.787 1.00 0.00 H > ATOM 635 2HD ARG B 16 -2.853 -4.810 6.796 1.00 0.00 H > ATOM 636 HE ARG B 16 -3.527 -7.534 5.988 1.00 0.00 H > ATOM 637 1HH1 ARG B 16 -2.088 -5.451 8.424 1.00 0.00 H > ATOM 638 2HH1 ARG B 16 -2.272 -6.620 9.712 1.00 0.00 H > ATOM 639 1HH2 ARG B 16 -3.760 -9.043 7.669 1.00 0.00 H > ATOM 640 2HH2 ARG B 16 -3.218 -8.654 9.286 1.00 0.00 H > ATOM 641 N LEU B 17 -7.789 -3.362 5.103 1.00 0.00 N > ATOM 642 CA LEU B 17 -9.199 -3.299 5.466 1.00 0.00 C > ATOM 643 C LEU B 17 -10.091 -3.488 4.246 1.00 0.00 C > ATOM 644 O LEU B 17 -10.134 -2.636 3.359 1.00 0.00 O > ATOM 645 CB LEU B 17 -9.515 -1.956 6.136 1.00 0.00 C > ATOM 646 CG LEU B 17 -10.955 -1.784 6.637 1.00 0.00 C > ATOM 647 CD1 LEU B 17 -11.221 -2.771 7.766 1.00 0.00 C > ATOM 648 CD2 LEU B 17 -11.163 -0.351 7.103 1.00 0.00 C > ATOM 649 H LEU B 17 -7.217 -2.593 5.423 1.00 0.00 H > ATOM 650 HA LEU B 17 -9.406 -4.114 6.161 1.00 0.00 H > ATOM 651 1HB LEU B 17 -8.850 -1.828 6.989 1.00 0.00 H > ATOM 652 2HB LEU B 17 -9.315 -1.156 5.423 1.00 0.00 H > ATOM 653 HG LEU B 17 -11.651 -2.008 5.828 1.00 0.00 H > ATOM 654 1HD1 LEU B 17 -12.244 -2.650 8.122 1.00 0.00 H > ATOM 655 2HD1 LEU B 17 -11.083 -3.789 7.400 1.00 0.00 H > ATOM 656 3HD1 LEU B 17 -10.527 -2.583 8.585 1.00 0.00 H > ATOM 657 1HD2 LEU B 17 -12.187 -0.229 7.459 1.00 0.00 H > ATOM 658 2HD2 LEU B 17 -10.468 -0.127 7.913 1.00 0.00 H > ATOM 659 3HD2 LEU B 17 -10.984 0.331 6.272 1.00 0.00 H > ATOM 660 N PRO B 18 -10.815 -4.633 4.214 1.00 0.00 N > ATOM 661 CA PRO B 18 -11.752 -5.014 3.164 1.00 0.00 C > ATOM 662 C PRO B 18 -12.801 -3.931 2.943 1.00 0.00 C > ATOM 663 O PRO B 18 -13.243 -3.703 1.817 1.00 0.00 O > ATOM 664 CB PRO B 18 -12.377 -6.302 3.710 1.00 0.00 C > ATOM 665 CG PRO B 18 -11.315 -6.882 4.581 1.00 0.00 C > ATOM 666 CD PRO B 18 -10.689 -5.690 5.253 1.00 0.00 C > ATOM 667 HA PRO B 18 -11.192 -5.131 2.236 1.00 0.00 H > ATOM 668 1HB PRO B 18 -13.300 -6.068 4.261 1.00 0.00 H > ATOM 669 2HB PRO B 18 -12.658 -6.965 2.879 1.00 0.00 H > ATOM 670 1HG PRO B 18 -11.757 -7.590 5.298 1.00 0.00 H > ATOM 671 2HG PRO B 18 -10.596 -7.452 3.974 1.00 0.00 H > ATOM 672 1HD PRO B 18 -11.256 -5.441 6.163 1.00 0.00 H > ATOM 673 2HD PRO B 18 -9.641 -5.915 5.499 1.00 0.00 H > ATOM 674 N ARG B 19 -13.162 -3.280 4.125 1.00 0.00 N > ATOM 675 CA ARG B 19 -14.247 -2.307 4.071 1.00 0.00 C > ATOM 676 C ARG B 19 -13.890 -1.133 3.169 1.00 0.00 C > ATOM 677 O ARG B 19 -12.781 -0.602 3.235 1.00 0.00 O > ATOM 678 CB ARG B 19 -14.574 -1.792 5.465 1.00 0.00 C > ATOM 679 CG ARG B 19 -15.123 -2.838 6.421 1.00 0.00 C > ATOM 680 CD ARG B 19 -16.498 -3.258 6.046 1.00 0.00 C > ATOM 681 NE ARG B 19 -17.436 -2.147 6.093 1.00 0.00 N > ATOM 682 CZ ARG B 19 -18.064 -1.723 7.207 1.00 0.00 C > ATOM 683 NH1 ARG B 19 -17.844 -2.325 8.355 1.00 0.00 N > ATOM 684 NH2 ARG B 19 -18.900 -0.702 7.146 1.00 0.00 N > ATOM 685 H ARG B 19 -12.667 -3.497 4.978 1.00 0.00 H > ATOM 686 HA ARG B 19 -15.123 -2.800 3.647 1.00 0.00 H > ATOM 687 1HB ARG B 19 -13.677 -1.371 5.916 1.00 0.00 H > ATOM 688 2HB ARG B 19 -15.310 -0.991 5.393 1.00 0.00 H > ATOM 689 1HG ARG B 19 -14.480 -3.718 6.406 1.00 0.00 H > ATOM 690 2HG ARG B 19 -15.154 -2.428 7.431 1.00 0.00 H > ATOM 691 1HD ARG B 19 -16.492 -3.656 5.031 1.00 0.00 H > ATOM 692 2HD ARG B 19 -16.845 -4.026 6.735 1.00 0.00 H > ATOM 693 HE ARG B 19 -17.631 -1.659 5.229 1.00 0.00 H > ATOM 694 1HH1 ARG B 19 -17.204 -3.105 8.402 1.00 0.00 H > ATOM 695 2HH1 ARG B 19 -18.314 -2.007 9.190 1.00 0.00 H > ATOM 696 1HH2 ARG B 19 -19.069 -0.239 6.263 1.00 0.00 H > ATOM 697 2HH2 ARG B 19 -19.371 -0.384 7.980 1.00 0.00 H > ATOM 698 N ASP B 20 -14.800 -0.672 2.291 1.00 0.00 N > ATOM 699 CA ASP B 20 -14.519 0.472 1.432 1.00 0.00 C > ATOM 700 C ASP B 20 -15.746 1.361 1.278 1.00 0.00 C > ATOM 701 O ASP B 20 -16.126 1.723 0.164 1.00 0.00 O > ATOM 702 CB ASP B 20 -14.044 0.004 0.054 1.00 0.00 C > ATOM 703 CG ASP B 20 -15.091 -0.818 -0.686 1.00 0.00 C > ATOM 704 OD1 ASP B 20 -16.120 -1.088 -0.113 1.00 0.00 O > ATOM 705 OD2 ASP B 20 -14.852 -1.167 -1.817 1.00 0.00 O > ATOM 706 H ASP B 20 -15.699 -1.128 2.224 1.00 0.00 H > ATOM 707 HA ASP B 20 -13.735 1.064 1.903 1.00 0.00 H > ATOM 708 1HB ASP B 20 -13.786 0.871 -0.555 1.00 0.00 H > ATOM 709 2HB ASP B 20 -13.142 -0.598 0.165 1.00 0.00 H > HETATM 710 CM1 TBS B 21 -1.190 5.548 2.664 1.00 0.00 C > HETATM 711 C1 TBS B 21 -0.575 5.561 1.288 1.00 0.00 C > HETATM 712 C2 TBS B 21 -1.388 5.554 0.144 1.00 0.00 C > HETATM 713 H1 TBS B 21 -0.508 6.029 3.375 1.00 0.00 H > HETATM 714 H2 TBS B 21 -2.115 6.136 2.659 1.00 0.00 H > HETATM 715 H3 TBS B 21 -2.471 5.528 0.256 1.00 0.00 H 837,1193c837,1193 < ATOM 717 N ASP C 1 -16.339 1.600 2.474 1.00 0.00 N < ATOM 718 CA ASP C 1 -17.535 2.431 2.545 1.00 0.00 C < ATOM 719 C ASP C 1 -17.175 3.911 2.584 1.00 0.00 C < ATOM 720 O ASP C 1 -17.901 4.750 2.051 1.00 0.00 O < ATOM 721 CB ASP C 1 -18.368 2.069 3.777 1.00 0.00 C < ATOM 722 CG ASP C 1 -18.923 0.652 3.721 1.00 0.00 C < ATOM 723 OD1 ASP C 1 -19.608 0.340 2.776 1.00 0.00 O < ATOM 724 OD2 ASP C 1 -18.657 -0.104 4.624 1.00 0.00 O < ATOM 725 H ASP C 1 -15.920 1.268 3.331 1.00 0.00 H < ATOM 726 HA ASP C 1 -18.124 2.254 1.645 1.00 0.00 H < ATOM 727 1HB ASP C 1 -17.755 2.169 4.673 1.00 0.00 H < ATOM 728 2HB ASP C 1 -19.201 2.767 3.871 1.00 0.00 H < ATOM 729 N ARG C 2 -15.983 4.162 3.267 1.00 0.00 N < ATOM 730 CA ARG C 2 -15.508 5.538 3.333 1.00 0.00 C < ATOM 731 C ARG C 2 -14.843 5.954 2.027 1.00 0.00 C < ATOM 732 O ARG C 2 -14.054 5.203 1.454 1.00 0.00 O < ATOM 733 CB ARG C 2 -14.520 5.710 4.478 1.00 0.00 C < ATOM 734 CG ARG C 2 -14.144 7.150 4.788 1.00 0.00 C < ATOM 735 CD ARG C 2 -13.217 7.239 5.945 1.00 0.00 C < ATOM 736 NE ARG C 2 -12.814 8.610 6.213 1.00 0.00 N < ATOM 737 CZ ARG C 2 -13.462 9.450 7.042 1.00 0.00 C < ATOM 738 NH1 ARG C 2 -14.541 9.046 7.676 1.00 0.00 N < ATOM 739 NH2 ARG C 2 -13.014 10.681 7.219 1.00 0.00 N < ATOM 740 H ARG C 2 -15.444 3.433 3.713 1.00 0.00 H < ATOM 741 HA ARG C 2 -16.369 6.187 3.491 1.00 0.00 H < ATOM 742 1HB ARG C 2 -14.937 5.275 5.385 1.00 0.00 H < ATOM 743 2HB ARG C 2 -13.601 5.171 4.249 1.00 0.00 H < ATOM 744 1HG ARG C 2 -13.653 7.592 3.921 1.00 0.00 H < ATOM 745 2HG ARG C 2 -15.044 7.719 5.024 1.00 0.00 H < ATOM 746 1HD ARG C 2 -13.709 6.848 6.836 1.00 0.00 H < ATOM 747 2HD ARG C 2 -12.322 6.654 5.740 1.00 0.00 H < ATOM 748 HE ARG C 2 -11.988 8.957 5.743 1.00 0.00 H < ATOM 749 1HH1 ARG C 2 -14.884 8.105 7.541 1.00 0.00 H < ATOM 750 2HH1 ARG C 2 -15.027 9.676 8.297 1.00 0.00 H < ATOM 751 1HH2 ARG C 2 -12.185 10.992 6.732 1.00 0.00 H < ATOM 752 2HH2 ARG C 2 -13.500 11.310 7.840 1.00 0.00 H < ATOM 753 N PRO C 3 -15.121 7.156 1.492 1.00 0.00 N < ATOM 754 CA PRO C 3 -14.504 7.607 0.251 1.00 0.00 C < ATOM 755 C PRO C 3 -12.986 7.507 0.323 1.00 0.00 C < ATOM 756 O PRO C 3 -12.327 7.188 -0.668 1.00 0.00 O < ATOM 757 CB PRO C 3 -14.970 9.062 0.142 1.00 0.00 C < ATOM 758 CG PRO C 3 -16.287 9.077 0.840 1.00 0.00 C < ATOM 759 CD PRO C 3 -16.102 8.148 2.010 1.00 0.00 C < ATOM 760 HA PRO C 3 -14.844 6.953 -0.553 1.00 0.00 H < ATOM 761 1HB PRO C 3 -14.231 9.730 0.610 1.00 0.00 H < ATOM 762 2HB PRO C 3 -15.044 9.356 -0.915 1.00 0.00 H < ATOM 763 1HG PRO C 3 -16.541 10.102 1.150 1.00 0.00 H < ATOM 764 2HG PRO C 3 -17.083 8.745 0.157 1.00 0.00 H < ATOM 765 1HD PRO C 3 -15.699 8.709 2.865 1.00 0.00 H < ATOM 766 2HD PRO C 3 -17.066 7.686 2.268 1.00 0.00 H < ATOM 767 N ASP C 4 -12.377 7.772 1.484 1.00 0.00 N < ATOM 768 CA ASP C 4 -10.950 7.679 1.772 1.00 0.00 C < ATOM 769 C ASP C 4 -10.431 6.267 1.535 1.00 0.00 C < ATOM 770 O ASP C 4 -9.398 6.074 0.895 1.00 0.00 O < ATOM 771 CB ASP C 4 -10.666 8.099 3.216 1.00 0.00 C < ATOM 772 CG ASP C 4 -10.839 9.595 3.443 1.00 0.00 C < ATOM 773 OD1 ASP C 4 -10.810 10.329 2.484 1.00 0.00 O < ATOM 774 OD2 ASP C 4 -10.998 9.989 4.574 1.00 0.00 O < ATOM 775 H ASP C 4 -12.931 8.073 2.273 1.00 0.00 H < ATOM 776 HA ASP C 4 -10.423 8.347 1.090 1.00 0.00 H < ATOM 777 1HB ASP C 4 -11.336 7.564 3.889 1.00 0.00 H < ATOM 778 2HB ASP C 4 -9.645 7.821 3.481 1.00 0.00 H < ATOM 779 N LEU C 5 -11.246 5.299 2.113 1.00 0.00 N < ATOM 780 CA LEU C 5 -10.941 3.883 1.949 1.00 0.00 C < ATOM 781 C LEU C 5 -11.084 3.454 0.494 1.00 0.00 C < ATOM 782 O LEU C 5 -10.361 2.576 0.022 1.00 0.00 O < ATOM 783 CB LEU C 5 -11.865 3.036 2.832 1.00 0.00 C < ATOM 784 CG LEU C 5 -11.643 3.166 4.344 1.00 0.00 C < ATOM 785 CD1 LEU C 5 -12.740 2.413 5.086 1.00 0.00 C < ATOM 786 CD2 LEU C 5 -10.268 2.624 4.705 1.00 0.00 C < ATOM 787 H LEU C 5 -12.052 5.590 2.648 1.00 0.00 H < ATOM 788 HA LEU C 5 -9.903 3.724 2.243 1.00 0.00 H < ATOM 789 1HB LEU C 5 -12.896 3.314 2.623 1.00 0.00 H < ATOM 790 2HB LEU C 5 -11.733 1.987 2.567 1.00 0.00 H < ATOM 791 HG LEU C 5 -11.706 4.216 4.632 1.00 0.00 H < ATOM 792 1HD1 LEU C 5 -12.582 2.506 6.160 1.00 0.00 H < ATOM 793 2HD1 LEU C 5 -13.711 2.834 4.824 1.00 0.00 H < ATOM 794 3HD1 LEU C 5 -12.712 1.361 4.805 1.00 0.00 H < ATOM 795 1HD2 LEU C 5 -10.110 2.718 5.780 1.00 0.00 H < ATOM 796 2HD2 LEU C 5 -10.204 1.574 4.419 1.00 0.00 H < ATOM 797 3HD2 LEU C 5 -9.503 3.192 4.175 1.00 0.00 H < ATOM 798 N ARG C 6 -12.047 4.089 -0.243 1.00 0.00 N < ATOM 799 CA ARG C 6 -12.186 3.749 -1.654 1.00 0.00 C < ATOM 800 C ARG C 6 -11.018 4.291 -2.469 1.00 0.00 C < ATOM 801 O ARG C 6 -10.602 3.683 -3.456 1.00 0.00 O < ATOM 802 CB ARG C 6 -13.489 4.301 -2.212 1.00 0.00 C < ATOM 803 CG ARG C 6 -14.747 3.647 -1.664 1.00 0.00 C < ATOM 804 CD ARG C 6 -15.977 4.293 -2.191 1.00 0.00 C < ATOM 805 NE ARG C 6 -17.182 3.698 -1.639 1.00 0.00 N < ATOM 806 CZ ARG C 6 -18.436 4.097 -1.929 1.00 0.00 C < ATOM 807 NH1 ARG C 6 -18.631 5.092 -2.766 1.00 0.00 N < ATOM 808 NH2 ARG C 6 -19.469 3.489 -1.373 1.00 0.00 N < ATOM 809 H ARG C 6 -12.636 4.776 0.205 1.00 0.00 H < ATOM 810 HA ARG C 6 -12.179 2.663 -1.743 1.00 0.00 H < ATOM 811 1HB ARG C 6 -13.553 5.368 -1.999 1.00 0.00 H < ATOM 812 2HB ARG C 6 -13.501 4.183 -3.296 1.00 0.00 H < ATOM 813 1HG ARG C 6 -14.764 2.595 -1.949 1.00 0.00 H < ATOM 814 2HG ARG C 6 -14.756 3.729 -0.577 1.00 0.00 H < ATOM 815 1HD ARG C 6 -15.970 5.352 -1.934 1.00 0.00 H < ATOM 816 2HD ARG C 6 -16.009 4.184 -3.275 1.00 0.00 H < ATOM 817 HE ARG C 6 -17.072 2.929 -0.990 1.00 0.00 H < ATOM 818 1HH1 ARG C 6 -17.841 5.556 -3.192 1.00 0.00 H < ATOM 819 2HH1 ARG C 6 -19.570 5.391 -2.984 1.00 0.00 H < ATOM 820 1HH2 ARG C 6 -19.319 2.725 -0.729 1.00 0.00 H < ATOM 821 2HH2 ARG C 6 -20.408 3.789 -1.590 1.00 0.00 H < ATOM 822 N ASP C 7 -10.423 5.432 -2.132 1.00 0.00 N < ATOM 823 CA ASP C 7 -9.245 6.014 -2.764 1.00 0.00 C < ATOM 824 C ASP C 7 -8.001 5.183 -2.481 1.00 0.00 C < ATOM 825 O ASP C 7 -7.149 5.007 -3.351 1.00 0.00 O < ATOM 826 CB ASP C 7 -9.030 7.449 -2.278 1.00 0.00 C < ATOM 827 CG ASP C 7 -7.945 8.182 -3.056 1.00 0.00 C < ATOM 828 OD1 ASP C 7 -8.053 8.261 -4.257 1.00 0.00 O < ATOM 829 OD2 ASP C 7 -7.019 8.655 -2.442 1.00 0.00 O < ATOM 830 H ASP C 7 -10.798 5.975 -1.368 1.00 0.00 H < ATOM 831 HA ASP C 7 -9.406 6.017 -3.842 1.00 0.00 H < ATOM 832 1HB ASP C 7 -9.962 8.008 -2.368 1.00 0.00 H < ATOM 833 2HB ASP C 7 -8.756 7.438 -1.223 1.00 0.00 H < ATOM 834 N LEU C 8 -7.940 4.679 -1.210 1.00 0.00 N < ATOM 835 CA LEU C 8 -6.907 3.758 -0.750 1.00 0.00 C < ATOM 836 C LEU C 8 -7.002 2.420 -1.470 1.00 0.00 C < ATOM 837 O LEU C 8 -5.987 1.788 -1.763 1.00 0.00 O < ATOM 838 CB LEU C 8 -7.026 3.542 0.764 1.00 0.00 C < ATOM 839 CG LEU C 8 -6.599 4.726 1.641 1.00 0.00 C < ATOM 840 CD1 LEU C 8 -6.967 4.443 3.091 1.00 0.00 C < ATOM 841 CD2 LEU C 8 -5.103 4.955 1.491 1.00 0.00 C < ATOM 842 H LEU C 8 -8.644 4.950 -0.539 1.00 0.00 H < ATOM 843 HA LEU C 8 -5.936 4.195 -0.984 1.00 0.00 H < ATOM 844 1HB LEU C 8 -8.063 3.310 1.001 1.00 0.00 H < ATOM 845 2HB LEU C 8 -6.411 2.685 1.041 1.00 0.00 H < ATOM 846 HG LEU C 8 -7.137 5.622 1.329 1.00 0.00 H < ATOM 847 1HD1 LEU C 8 -6.665 5.284 3.714 1.00 0.00 H < ATOM 848 2HD1 LEU C 8 -8.045 4.302 3.172 1.00 0.00 H < ATOM 849 3HD1 LEU C 8 -6.457 3.541 3.426 1.00 0.00 H < ATOM 850 1HD2 LEU C 8 -4.800 5.797 2.114 1.00 0.00 H < ATOM 851 2HD2 LEU C 8 -4.564 4.060 1.804 1.00 0.00 H < ATOM 852 3HD2 LEU C 8 -4.870 5.173 0.449 1.00 0.00 H < ATOM 853 N LEU C 9 -8.307 2.020 -1.741 1.00 0.00 N < ATOM 854 CA LEU C 9 -8.494 0.845 -2.585 1.00 0.00 C < ATOM 855 C LEU C 9 -7.989 1.098 -4.000 1.00 0.00 C < ATOM 856 O LEU C 9 -7.311 0.255 -4.588 1.00 0.00 O < ATOM 857 CB LEU C 9 -9.976 0.453 -2.627 1.00 0.00 C < ATOM 858 CG LEU C 9 -10.313 -0.782 -3.472 1.00 0.00 C < ATOM 859 CD1 LEU C 9 -9.567 -1.991 -2.925 1.00 0.00 C < ATOM 860 CD2 LEU C 9 -11.817 -1.014 -3.454 1.00 0.00 C < ATOM 861 H LEU C 9 -9.075 2.547 -1.351 1.00 0.00 H < ATOM 862 HA LEU C 9 -7.909 0.028 -2.163 1.00 0.00 H < ATOM 863 1HB LEU C 9 -10.313 0.261 -1.610 1.00 0.00 H < ATOM 864 2HB LEU C 9 -10.547 1.292 -3.025 1.00 0.00 H < ATOM 865 HG LEU C 9 -9.983 -0.623 -4.498 1.00 0.00 H < ATOM 866 1HD1 LEU C 9 -9.806 -2.869 -3.525 1.00 0.00 H < ATOM 867 2HD1 LEU C 9 -8.493 -1.806 -2.967 1.00 0.00 H < ATOM 868 3HD1 LEU C 9 -9.865 -2.166 -1.891 1.00 0.00 H < ATOM 869 1HD2 LEU C 9 -12.057 -1.892 -4.055 1.00 0.00 H < ATOM 870 2HD2 LEU C 9 -12.148 -1.175 -2.428 1.00 0.00 H < ATOM 871 3HD2 LEU C 9 -12.325 -0.142 -3.867 1.00 0.00 H < ATOM 872 N ARG C 10 -8.274 2.243 -4.629 1.00 0.00 N < ATOM 873 CA ARG C 10 -7.727 2.603 -5.931 1.00 0.00 C < ATOM 874 C ARG C 10 -6.205 2.539 -5.927 1.00 0.00 C < ATOM 875 O ARG C 10 -5.595 1.981 -6.838 1.00 0.00 O < ATOM 876 CB ARG C 10 -8.172 4.002 -6.330 1.00 0.00 C < ATOM 877 CG ARG C 10 -7.633 4.488 -7.666 1.00 0.00 C < ATOM 878 CD ARG C 10 -8.051 5.884 -7.953 1.00 0.00 C < ATOM 879 NE ARG C 10 -7.534 6.819 -6.965 1.00 0.00 N < ATOM 880 CZ ARG C 10 -6.295 7.347 -6.987 1.00 0.00 C < ATOM 881 NH1 ARG C 10 -5.459 7.023 -7.950 1.00 0.00 N < ATOM 882 NH2 ARG C 10 -5.919 8.189 -6.041 1.00 0.00 N < ATOM 883 H ARG C 10 -8.900 2.902 -4.190 1.00 0.00 H < ATOM 884 HA ARG C 10 -8.089 1.880 -6.662 1.00 0.00 H < ATOM 885 1HB ARG C 10 -9.259 4.038 -6.381 1.00 0.00 H < ATOM 886 2HB ARG C 10 -7.857 4.715 -5.568 1.00 0.00 H < ATOM 887 1HG ARG C 10 -6.543 4.452 -7.654 1.00 0.00 H < ATOM 888 2HG ARG C 10 -8.008 3.847 -8.465 1.00 0.00 H < ATOM 889 1HD ARG C 10 -7.678 6.182 -8.932 1.00 0.00 H < ATOM 890 2HD ARG C 10 -9.138 5.947 -7.944 1.00 0.00 H < ATOM 891 HE ARG C 10 -8.148 7.091 -6.209 1.00 0.00 H < ATOM 892 1HH1 ARG C 10 -5.747 6.379 -8.673 1.00 0.00 H < ATOM 893 2HH1 ARG C 10 -4.531 7.419 -7.966 1.00 0.00 H < ATOM 894 1HH2 ARG C 10 -6.561 8.438 -5.301 1.00 0.00 H < ATOM 895 2HH2 ARG C 10 -4.990 8.585 -6.058 1.00 0.00 H < ATOM 896 N CYX C 11 -5.565 3.115 -4.893 1.00 0.00 N < ATOM 897 CA CYX C 11 -4.128 3.104 -4.646 1.00 0.00 C < ATOM 898 C CYX C 11 -3.594 1.680 -4.565 1.00 0.00 C < ATOM 899 O CYX C 11 -2.589 1.347 -5.193 1.00 0.00 O < ATOM 900 CB CYX C 11 -3.800 3.841 -3.347 1.00 0.00 C < ATOM 901 SG CYX C 11 -2.039 3.864 -2.936 1.00 0.00 S < ATOM 902 H CYX C 11 -6.173 3.593 -4.243 1.00 0.00 H < ATOM 903 HA CYX C 11 -3.632 3.616 -5.470 1.00 0.00 H < ATOM 904 1HB CYX C 11 -4.144 4.873 -3.417 1.00 0.00 H < ATOM 905 2HB CYX C 11 -4.334 3.374 -2.519 1.00 0.00 H < ATOM 906 N LEU C 12 -4.364 0.871 -3.727 1.00 0.00 N < ATOM 907 CA LEU C 12 -3.992 -0.528 -3.553 1.00 0.00 C < ATOM 908 C LEU C 12 -3.893 -1.243 -4.895 1.00 0.00 C < ATOM 909 O LEU C 12 -2.947 -1.990 -5.143 1.00 0.00 O < ATOM 910 CB LEU C 12 -5.015 -1.242 -2.661 1.00 0.00 C < ATOM 911 CG LEU C 12 -4.731 -2.722 -2.376 1.00 0.00 C < ATOM 912 CD1 LEU C 12 -3.403 -2.854 -1.643 1.00 0.00 C < ATOM 913 CD2 LEU C 12 -5.870 -3.309 -1.555 1.00 0.00 C < ATOM 914 H LEU C 12 -5.173 1.229 -3.239 1.00 0.00 H < ATOM 915 HA LEU C 12 -3.008 -0.561 -3.085 1.00 0.00 H < ATOM 916 1HB LEU C 12 -5.062 -0.724 -1.704 1.00 0.00 H < ATOM 917 2HB LEU C 12 -5.994 -1.177 -3.134 1.00 0.00 H < ATOM 918 HG LEU C 12 -4.646 -3.264 -3.319 1.00 0.00 H < ATOM 919 1HD1 LEU C 12 -3.202 -3.906 -1.441 1.00 0.00 H < ATOM 920 2HD1 LEU C 12 -2.604 -2.444 -2.261 1.00 0.00 H < ATOM 921 3HD1 LEU C 12 -3.452 -2.307 -0.702 1.00 0.00 H < ATOM 922 1HD2 LEU C 12 -5.668 -4.362 -1.354 1.00 0.00 H < ATOM 923 2HD2 LEU C 12 -5.954 -2.769 -0.612 1.00 0.00 H < ATOM 924 3HD2 LEU C 12 -6.803 -3.218 -2.111 1.00 0.00 H < ATOM 925 N ASP C 13 -4.876 -1.032 -5.807 1.00 0.00 N < ATOM 926 CA ASP C 13 -4.806 -1.674 -7.114 1.00 0.00 C < ATOM 927 C ASP C 13 -3.573 -1.220 -7.885 1.00 0.00 C < ATOM 928 O ASP C 13 -2.944 -2.009 -8.590 1.00 0.00 O < ATOM 929 CB ASP C 13 -6.065 -1.370 -7.929 1.00 0.00 C < ATOM 930 CG ASP C 13 -7.288 -2.132 -7.436 1.00 0.00 C < ATOM 931 OD1 ASP C 13 -7.120 -3.070 -6.693 1.00 0.00 O < ATOM 932 OD2 ASP C 13 -8.379 -1.769 -7.808 1.00 0.00 O < ATOM 933 H ASP C 13 -5.650 -0.430 -5.565 1.00 0.00 H < ATOM 934 HA ASP C 13 -4.725 -2.750 -6.959 1.00 0.00 H < ATOM 935 1HB ASP C 13 -6.279 -0.302 -7.885 1.00 0.00 H < ATOM 936 2HB ASP C 13 -5.893 -1.627 -8.975 1.00 0.00 H < ATOM 937 N LEU C 14 -3.161 0.044 -7.802 1.00 0.00 N < ATOM 938 CA LEU C 14 -1.995 0.633 -8.450 1.00 0.00 C < ATOM 939 C LEU C 14 -0.702 0.069 -7.874 1.00 0.00 C < ATOM 940 O LEU C 14 0.276 -0.126 -8.596 1.00 0.00 O < ATOM 941 CB LEU C 14 -2.011 2.158 -8.286 1.00 0.00 C < ATOM 942 CG LEU C 14 -3.128 2.895 -9.037 1.00 0.00 C < ATOM 943 CD1 LEU C 14 -3.131 4.363 -8.630 1.00 0.00 C < ATOM 944 CD2 LEU C 14 -2.917 2.744 -10.536 1.00 0.00 C < ATOM 945 H LEU C 14 -3.687 0.698 -7.240 1.00 0.00 H < ATOM 946 HA LEU C 14 -2.029 0.376 -9.508 1.00 0.00 H < ATOM 947 1HB LEU C 14 -2.113 2.393 -7.228 1.00 0.00 H < ATOM 948 2HB LEU C 14 -1.059 2.556 -8.636 1.00 0.00 H < ATOM 949 HG LEU C 14 -4.094 2.471 -8.761 1.00 0.00 H < ATOM 950 1HD1 LEU C 14 -3.924 4.887 -9.164 1.00 0.00 H < ATOM 951 2HD1 LEU C 14 -3.303 4.442 -7.557 1.00 0.00 H < ATOM 952 3HD1 LEU C 14 -2.170 4.811 -8.879 1.00 0.00 H < ATOM 953 1HD2 LEU C 14 -3.711 3.267 -11.070 1.00 0.00 H < ATOM 954 2HD2 LEU C 14 -1.953 3.169 -10.813 1.00 0.00 H < ATOM 955 3HD2 LEU C 14 -2.938 1.687 -10.802 1.00 0.00 H < ATOM 956 N LEU C 15 -0.774 -0.178 -6.519 1.00 0.00 N < ATOM 957 CA LEU C 15 0.302 -0.840 -5.790 1.00 0.00 C < ATOM 958 C LEU C 15 0.444 -2.294 -6.220 1.00 0.00 C < ATOM 959 O LEU C 15 1.553 -2.826 -6.287 1.00 0.00 O < ATOM 960 CB LEU C 15 0.041 -0.770 -4.281 1.00 0.00 C < ATOM 961 CG LEU C 15 0.164 0.622 -3.648 1.00 0.00 C < ATOM 962 CD1 LEU C 15 -0.333 0.572 -2.209 1.00 0.00 C < ATOM 963 CD2 LEU C 15 1.613 1.082 -3.710 1.00 0.00 C < ATOM 964 H LEU C 15 -1.597 0.109 -6.010 1.00 0.00 H < ATOM 965 HA LEU C 15 1.235 -0.329 -6.026 1.00 0.00 H < ATOM 966 1HB LEU C 15 -0.967 -1.134 -4.085 1.00 0.00 H < ATOM 967 2HB LEU C 15 0.747 -1.428 -3.775 1.00 0.00 H < ATOM 968 HG LEU C 15 -0.464 1.327 -4.193 1.00 0.00 H < ATOM 969 1HD1 LEU C 15 -0.245 1.562 -1.760 1.00 0.00 H < ATOM 970 2HD1 LEU C 15 -1.377 0.259 -2.196 1.00 0.00 H < ATOM 971 3HD1 LEU C 15 0.267 -0.138 -1.642 1.00 0.00 H < ATOM 972 1HD2 LEU C 15 1.700 2.072 -3.261 1.00 0.00 H < ATOM 973 2HD2 LEU C 15 2.242 0.379 -3.164 1.00 0.00 H < ATOM 974 3HD2 LEU C 15 1.936 1.125 -4.751 1.00 0.00 H < ATOM 975 N ARG C 16 -0.744 -2.935 -6.518 1.00 0.00 N < ATOM 976 CA ARG C 16 -0.673 -4.305 -7.012 1.00 0.00 C < ATOM 977 C ARG C 16 -0.240 -4.343 -8.471 1.00 0.00 C < ATOM 978 O ARG C 16 0.426 -5.282 -8.907 1.00 0.00 O < ATOM 979 CB ARG C 16 -2.021 -4.997 -6.868 1.00 0.00 C < ATOM 980 CG ARG C 16 -2.461 -5.248 -5.434 1.00 0.00 C < ATOM 981 CD ARG C 16 -3.902 -5.603 -5.356 1.00 0.00 C < ATOM 982 NE ARG C 16 -4.179 -6.884 -5.985 1.00 0.00 N < ATOM 983 CZ ARG C 16 -5.397 -7.286 -6.398 1.00 0.00 C < ATOM 984 NH1 ARG C 16 -6.437 -6.497 -6.241 1.00 0.00 N < ATOM 985 NH2 ARG C 16 -5.546 -8.473 -6.960 1.00 0.00 N < ATOM 986 H ARG C 16 -1.616 -2.442 -6.386 1.00 0.00 H < ATOM 987 HA ARG C 16 0.077 -4.838 -6.427 1.00 0.00 H < ATOM 988 1HB ARG C 16 -2.791 -4.395 -7.348 1.00 0.00 H < ATOM 989 2HB ARG C 16 -1.992 -5.960 -7.377 1.00 0.00 H < ATOM 990 1HG ARG C 16 -1.882 -6.070 -5.014 1.00 0.00 H < ATOM 991 2HG ARG C 16 -2.297 -4.348 -4.840 1.00 0.00 H < ATOM 992 1HD ARG C 16 -4.205 -5.663 -4.311 1.00 0.00 H < ATOM 993 2HD ARG C 16 -4.492 -4.840 -5.862 1.00 0.00 H < ATOM 994 HE ARG C 16 -3.403 -7.518 -6.123 1.00 0.00 H < ATOM 995 1HH1 ARG C 16 -6.323 -5.590 -5.812 1.00 0.00 H < ATOM 996 2HH1 ARG C 16 -7.350 -6.799 -6.551 1.00 0.00 H < ATOM 997 1HH2 ARG C 16 -4.746 -9.079 -7.081 1.00 0.00 H < ATOM 998 2HH2 ARG C 16 -6.458 -8.774 -7.269 1.00 0.00 H < ATOM 999 N LEU C 17 -0.571 -3.363 -9.310 1.00 0.00 N < ATOM 1000 CA LEU C 17 -0.191 -3.301 -10.716 1.00 0.00 C < ATOM 1001 C LEU C 17 1.308 -3.510 -10.892 1.00 0.00 C < ATOM 1002 O LEU C 17 2.112 -2.668 -10.495 1.00 0.00 O < ATOM 1003 CB LEU C 17 -0.598 -1.949 -11.316 1.00 0.00 C < ATOM 1004 CG LEU C 17 -0.318 -1.775 -12.815 1.00 0.00 C < ATOM 1005 CD1 LEU C 17 -1.178 -2.749 -13.609 1.00 0.00 C < ATOM 1006 CD2 LEU C 17 -0.603 -0.337 -13.220 1.00 0.00 C < ATOM 1007 H LEU C 17 -1.128 -2.592 -8.971 1.00 0.00 H < ATOM 1008 HA LEU C 17 -0.704 -4.106 -11.242 1.00 0.00 H < ATOM 1009 1HB LEU C 17 -1.667 -1.808 -11.161 1.00 0.00 H < ATOM 1010 2HB LEU C 17 -0.067 -1.159 -10.786 1.00 0.00 H < ATOM 1011 HG LEU C 17 0.727 -2.010 -13.019 1.00 0.00 H < ATOM 1012 1HD1 LEU C 17 -0.979 -2.625 -14.674 1.00 0.00 H < ATOM 1013 2HD1 LEU C 17 -0.940 -3.770 -13.313 1.00 0.00 H < ATOM 1014 3HD1 LEU C 17 -2.231 -2.549 -13.412 1.00 0.00 H < ATOM 1015 1HD2 LEU C 17 -0.403 -0.213 -14.285 1.00 0.00 H < ATOM 1016 2HD2 LEU C 17 -1.648 -0.101 -13.018 1.00 0.00 H < ATOM 1017 3HD2 LEU C 17 0.038 0.336 -12.650 1.00 0.00 H < ATOM 1018 N PRO C 18 1.677 -4.663 -11.501 1.00 0.00 N < ATOM 1019 CA PRO C 18 3.047 -5.063 -11.799 1.00 0.00 C < ATOM 1020 C PRO C 18 3.770 -3.993 -12.606 1.00 0.00 C < ATOM 1021 O PRO C 18 4.970 -3.778 -12.434 1.00 0.00 O < ATOM 1022 CB PRO C 18 2.861 -6.351 -12.607 1.00 0.00 C < ATOM 1023 CG PRO C 18 1.574 -6.914 -12.109 1.00 0.00 C < ATOM 1024 CD PRO C 18 0.695 -5.709 -11.899 1.00 0.00 C < ATOM 1025 HA PRO C 18 3.577 -5.185 -10.854 1.00 0.00 H < ATOM 1026 1HB PRO C 18 2.839 -6.121 -13.682 1.00 0.00 H < ATOM 1027 2HB PRO C 18 3.714 -7.026 -12.441 1.00 0.00 H < ATOM 1028 1HG PRO C 18 1.157 -7.618 -12.844 1.00 0.00 H < ATOM 1029 2HG PRO C 18 1.741 -7.483 -11.183 1.00 0.00 H < ATOM 1030 1HD PRO C 18 0.186 -5.457 -12.841 1.00 0.00 H < ATOM 1031 2HD PRO C 18 -0.037 -5.922 -11.107 1.00 0.00 H < ATOM 1032 N ARG C 19 2.929 -3.336 -13.508 1.00 0.00 N < ATOM 1033 CA ARG C 19 3.523 -2.372 -14.426 1.00 0.00 C < ATOM 1034 C ARG C 19 4.130 -1.195 -13.672 1.00 0.00 C < ATOM 1035 O ARG C 19 3.507 -0.637 -12.768 1.00 0.00 O < ATOM 1036 CB ARG C 19 2.483 -1.858 -15.410 1.00 0.00 C < ATOM 1037 CG ARG C 19 1.929 -2.907 -16.361 1.00 0.00 C < ATOM 1038 CD ARG C 19 2.941 -3.329 -17.362 1.00 0.00 C < ATOM 1039 NE ARG C 19 3.364 -2.223 -18.206 1.00 0.00 N < ATOM 1040 CZ ARG C 19 2.713 -1.812 -19.311 1.00 0.00 C < ATOM 1041 NH1 ARG C 19 1.613 -2.423 -19.692 1.00 0.00 N < ATOM 1042 NH2 ARG C 19 3.179 -0.793 -20.012 1.00 0.00 N < ATOM 1043 H ARG C 19 1.941 -3.545 -13.500 1.00 0.00 H < ATOM 1044 HA ARG C 19 4.327 -2.871 -14.968 1.00 0.00 H < ATOM 1045 1HB ARG C 19 1.643 -1.434 -14.862 1.00 0.00 H < ATOM 1046 2HB ARG C 19 2.916 -1.061 -16.014 1.00 0.00 H < ATOM 1047 1HG ARG C 19 1.620 -3.785 -15.794 1.00 0.00 H < ATOM 1048 2HG ARG C 19 1.069 -2.498 -16.893 1.00 0.00 H < ATOM 1049 1HD ARG C 19 3.819 -3.721 -16.849 1.00 0.00 H < ATOM 1050 2HD ARG C 19 2.519 -4.104 -18.002 1.00 0.00 H < ATOM 1051 HE ARG C 19 4.206 -1.728 -17.945 1.00 0.00 H < ATOM 1052 1HH1 ARG C 19 1.257 -3.202 -19.156 1.00 0.00 H < ATOM 1053 2HH1 ARG C 19 1.125 -2.115 -20.521 1.00 0.00 H < ATOM 1054 1HH2 ARG C 19 4.025 -0.323 -19.719 1.00 0.00 H < ATOM 1055 2HH2 ARG C 19 2.692 -0.485 -20.840 1.00 0.00 H < ATOM 1056 N ASP C 20 5.362 -0.763 -14.001 1.00 0.00 N < ATOM 1057 CA ASP C 20 5.969 0.383 -13.335 1.00 0.00 C < ATOM 1058 C ASP C 20 6.730 1.255 -14.325 1.00 0.00 C < ATOM 1059 O ASP C 20 7.897 1.584 -14.109 1.00 0.00 O < ATOM 1060 CB ASP C 20 6.914 -0.081 -12.224 1.00 0.00 C < ATOM 1061 CG ASP C 20 8.072 -0.923 -12.744 1.00 0.00 C < ATOM 1062 OD1 ASP C 20 8.086 -1.220 -13.915 1.00 0.00 O < ATOM 1063 OD2 ASP C 20 8.931 -1.261 -11.965 1.00 0.00 O < ATOM 1064 H ASP C 20 5.878 -1.242 -14.725 1.00 0.00 H < ATOM 1065 HA ASP C 20 5.171 0.986 -12.903 1.00 0.00 H < ATOM 1066 1HB ASP C 20 7.320 0.787 -11.705 1.00 0.00 H < ATOM 1067 2HB ASP C 20 6.357 -0.668 -11.493 1.00 0.00 H < HETATM 1068 CM1 TBS C 21 -1.720 5.531 -2.357 1.00 0.00 C < HETATM 1069 C1 TBS C 21 -0.831 5.543 -1.139 1.00 0.00 C < HETATM 1070 C2 TBS C 21 0.565 5.537 -1.276 1.00 0.00 C < HETATM 1071 H1 TBS C 21 -2.672 6.022 -2.122 1.00 0.00 H < HETATM 1072 H2 TBS C 21 -1.250 6.109 -3.161 1.00 0.00 H < HETATM 1073 H3 TBS C 21 1.006 5.511 -2.271 1.00 0.00 H --- > ATOM 717 N ASP C 1 -16.325 1.680 2.421 1.00 0.00 N > ATOM 718 CA ASP C 1 -17.513 2.522 2.500 1.00 0.00 C > ATOM 719 C ASP C 1 -17.139 3.996 2.581 1.00 0.00 C > ATOM 720 O ASP C 1 -17.852 4.857 2.065 1.00 0.00 O > ATOM 721 CB ASP C 1 -18.363 2.138 3.714 1.00 0.00 C > ATOM 722 CG ASP C 1 -18.938 0.731 3.614 1.00 0.00 C > ATOM 723 OD1 ASP C 1 -19.601 0.450 2.644 1.00 0.00 O > ATOM 724 OD2 ASP C 1 -18.708 -0.048 4.508 1.00 0.00 O > ATOM 725 H ASP C 1 -15.920 1.320 3.272 1.00 0.00 H > ATOM 726 HA ASP C 1 -18.095 2.374 1.590 1.00 0.00 H > ATOM 727 1HB ASP C 1 -17.756 2.203 4.618 1.00 0.00 H > ATOM 728 2HB ASP C 1 -19.186 2.845 3.821 1.00 0.00 H > ATOM 729 N ARG C 2 -15.950 4.217 3.279 1.00 0.00 N > ATOM 730 CA ARG C 2 -15.459 5.586 3.381 1.00 0.00 C > ATOM 731 C ARG C 2 -14.792 6.030 2.086 1.00 0.00 C > ATOM 732 O ARG C 2 -14.011 5.286 1.492 1.00 0.00 O > ATOM 733 CB ARG C 2 -14.468 5.716 4.529 1.00 0.00 C > ATOM 734 CG ARG C 2 -14.077 7.143 4.878 1.00 0.00 C > ATOM 735 CD ARG C 2 -13.150 7.190 6.037 1.00 0.00 C > ATOM 736 NE ARG C 2 -12.734 8.550 6.344 1.00 0.00 N > ATOM 737 CZ ARG C 2 -13.378 9.373 7.195 1.00 0.00 C > ATOM 738 NH1 ARG C 2 -14.463 8.961 7.813 1.00 0.00 N > ATOM 739 NH2 ARG C 2 -12.919 10.594 7.407 1.00 0.00 N > ATOM 740 H ARG C 2 -15.423 3.472 3.712 1.00 0.00 H > ATOM 741 HA ARG C 2 -16.313 6.240 3.558 1.00 0.00 H > ATOM 742 1HB ARG C 2 -14.888 5.261 5.424 1.00 0.00 H > ATOM 743 2HB ARG C 2 -13.555 5.174 4.283 1.00 0.00 H > ATOM 744 1HG ARG C 2 -13.581 7.604 4.023 1.00 0.00 H > ATOM 745 2HG ARG C 2 -14.971 7.714 5.130 1.00 0.00 H > ATOM 746 1HD ARG C 2 -13.645 6.778 6.916 1.00 0.00 H > ATOM 747 2HD ARG C 2 -12.259 6.604 5.815 1.00 0.00 H > ATOM 748 HE ARG C 2 -11.904 8.902 5.887 1.00 0.00 H > ATOM 749 1HH1 ARG C 2 -14.813 8.027 7.651 1.00 0.00 H > ATOM 750 2HH1 ARG C 2 -14.945 9.578 8.451 1.00 0.00 H > ATOM 751 1HH2 ARG C 2 -12.085 10.910 6.932 1.00 0.00 H > ATOM 752 2HH2 ARG C 2 -13.402 11.210 8.044 1.00 0.00 H > ATOM 753 N PRO C 3 -15.058 7.248 1.584 1.00 0.00 N > ATOM 754 CA PRO C 3 -14.436 7.726 0.354 1.00 0.00 C > ATOM 755 C PRO C 3 -12.920 7.605 0.421 1.00 0.00 C > ATOM 756 O PRO C 3 -12.267 7.294 -0.575 1.00 0.00 O > ATOM 757 CB PRO C 3 -14.884 9.189 0.288 1.00 0.00 C > ATOM 758 CG PRO C 3 -16.201 9.201 0.985 1.00 0.00 C > ATOM 759 CD PRO C 3 -16.028 8.237 2.128 1.00 0.00 C > ATOM 760 HA PRO C 3 -14.785 7.100 -0.467 1.00 0.00 H > ATOM 761 1HB PRO C 3 -14.138 9.834 0.775 1.00 0.00 H > ATOM 762 2HB PRO C 3 -14.954 9.514 -0.761 1.00 0.00 H > ATOM 763 1HG PRO C 3 -16.443 10.220 1.323 1.00 0.00 H > ATOM 764 2HG PRO C 3 -17.001 8.898 0.293 1.00 0.00 H > ATOM 765 1HD PRO C 3 -15.620 8.770 3.000 1.00 0.00 H > ATOM 766 2HD PRO C 3 -16.998 7.779 2.372 1.00 0.00 H > ATOM 767 N ASP C 4 -12.305 7.844 1.585 1.00 0.00 N > ATOM 768 CA ASP C 4 -10.879 7.728 1.868 1.00 0.00 C > ATOM 769 C ASP C 4 -10.374 6.319 1.586 1.00 0.00 C > ATOM 770 O ASP C 4 -9.343 6.137 0.939 1.00 0.00 O > ATOM 771 CB ASP C 4 -10.589 8.099 3.325 1.00 0.00 C > ATOM 772 CG ASP C 4 -10.753 9.587 3.601 1.00 0.00 C > ATOM 773 OD1 ASP C 4 -10.727 10.352 2.666 1.00 0.00 O > ATOM 774 OD2 ASP C 4 -10.903 9.945 4.745 1.00 0.00 O > ATOM 775 H ASP C 4 -12.854 8.138 2.380 1.00 0.00 H > ATOM 776 HA ASP C 4 -10.346 8.413 1.208 1.00 0.00 H > ATOM 777 1HB ASP C 4 -11.262 7.546 3.981 1.00 0.00 H > ATOM 778 2HB ASP C 4 -9.570 7.807 3.579 1.00 0.00 H > ATOM 779 N LEU C 5 -11.197 5.341 2.133 1.00 0.00 N > ATOM 780 CA LEU C 5 -10.897 3.928 1.935 1.00 0.00 C > ATOM 781 C LEU C 5 -11.047 3.533 0.471 1.00 0.00 C > ATOM 782 O LEU C 5 -10.335 2.658 -0.021 1.00 0.00 O > ATOM 783 CB LEU C 5 -11.821 3.064 2.802 1.00 0.00 C > ATOM 784 CG LEU C 5 -11.597 3.162 4.316 1.00 0.00 C > ATOM 785 CD1 LEU C 5 -12.696 2.398 5.043 1.00 0.00 C > ATOM 786 CD2 LEU C 5 -10.224 2.607 4.663 1.00 0.00 C > ATOM 787 H LEU C 5 -12.006 5.622 2.669 1.00 0.00 H > ATOM 788 HA LEU C 5 -9.859 3.759 2.222 1.00 0.00 H > ATOM 789 1HB LEU C 5 -12.853 3.349 2.601 1.00 0.00 H > ATOM 790 2HB LEU C 5 -11.692 2.020 2.514 1.00 0.00 H > ATOM 791 HG LEU C 5 -11.655 4.205 4.626 1.00 0.00 H > ATOM 792 1HD1 LEU C 5 -12.536 2.468 6.119 1.00 0.00 H > ATOM 793 2HD1 LEU C 5 -13.665 2.828 4.792 1.00 0.00 H > ATOM 794 3HD1 LEU C 5 -12.673 1.352 4.740 1.00 0.00 H > ATOM 795 1HD2 LEU C 5 -10.064 2.677 5.739 1.00 0.00 H > ATOM 796 2HD2 LEU C 5 -10.165 1.562 4.355 1.00 0.00 H > ATOM 797 3HD2 LEU C 5 -9.457 3.182 4.144 1.00 0.00 H > ATOM 798 N ARG C 6 -12.003 4.196 -0.251 1.00 0.00 N > ATOM 799 CA ARG C 6 -12.155 3.881 -1.666 1.00 0.00 C > ATOM 800 C ARG C 6 -10.984 4.417 -2.479 1.00 0.00 C > ATOM 801 O ARG C 6 -10.573 3.810 -3.468 1.00 0.00 O > ATOM 802 CB ARG C 6 -13.453 4.462 -2.207 1.00 0.00 C > ATOM 803 CG ARG C 6 -14.719 3.817 -1.665 1.00 0.00 C > ATOM 804 CD ARG C 6 -15.941 4.490 -2.174 1.00 0.00 C > ATOM 805 NE ARG C 6 -17.152 3.897 -1.632 1.00 0.00 N > ATOM 806 CZ ARG C 6 -18.402 4.316 -1.915 1.00 0.00 C > ATOM 807 NH1 ARG C 6 -18.586 5.328 -2.733 1.00 0.00 N > ATOM 808 NH2 ARG C 6 -19.441 3.709 -1.369 1.00 0.00 N > ATOM 809 H ARG C 6 -12.578 4.886 0.211 1.00 0.00 H > ATOM 810 HA ARG C 6 -12.167 2.796 -1.772 1.00 0.00 H > ATOM 811 1HB ARG C 6 -13.500 5.525 -1.975 1.00 0.00 H > ATOM 812 2HB ARG C 6 -13.472 4.363 -3.292 1.00 0.00 H > ATOM 813 1HG ARG C 6 -14.752 2.770 -1.968 1.00 0.00 H > ATOM 814 2HG ARG C 6 -14.721 3.879 -0.576 1.00 0.00 H > ATOM 815 1HD ARG C 6 -15.920 5.543 -1.891 1.00 0.00 H > ATOM 816 2HD ARG C 6 -15.976 4.407 -3.259 1.00 0.00 H > ATOM 817 HE ARG C 6 -17.051 3.116 -0.998 1.00 0.00 H > ATOM 818 1HH1 ARG C 6 -17.792 5.792 -3.150 1.00 0.00 H > ATOM 819 2HH1 ARG C 6 -19.522 5.642 -2.945 1.00 0.00 H > ATOM 820 1HH2 ARG C 6 -19.299 2.930 -0.740 1.00 0.00 H > ATOM 821 2HH2 ARG C 6 -20.377 4.022 -1.581 1.00 0.00 H > ATOM 822 N ASP C 7 -10.381 5.553 -2.139 1.00 0.00 N > ATOM 823 CA ASP C 7 -9.198 6.128 -2.767 1.00 0.00 C > ATOM 824 C ASP C 7 -7.962 5.279 -2.495 1.00 0.00 C > ATOM 825 O ASP C 7 -7.114 5.102 -3.369 1.00 0.00 O > ATOM 826 CB ASP C 7 -8.965 7.555 -2.267 1.00 0.00 C > ATOM 827 CG ASP C 7 -9.954 8.556 -2.848 1.00 0.00 C > ATOM 828 OD1 ASP C 7 -10.556 8.252 -3.851 1.00 0.00 O > ATOM 829 OD2 ASP C 7 -10.099 9.614 -2.284 1.00 0.00 O > ATOM 830 H ASP C 7 -10.753 6.097 -1.373 1.00 0.00 H > ATOM 831 HA ASP C 7 -9.361 6.144 -3.845 1.00 0.00 H > ATOM 832 1HB ASP C 7 -9.044 7.577 -1.180 1.00 0.00 H > ATOM 833 2HB ASP C 7 -7.954 7.872 -2.528 1.00 0.00 H > ATOM 834 N LEU C 8 -7.905 4.762 -1.229 1.00 0.00 N > ATOM 835 CA LEU C 8 -6.882 3.824 -0.781 1.00 0.00 C > ATOM 836 C LEU C 8 -7.000 2.491 -1.508 1.00 0.00 C > ATOM 837 O LEU C 8 -5.996 1.843 -1.804 1.00 0.00 O > ATOM 838 CB LEU C 8 -6.995 3.600 0.732 1.00 0.00 C > ATOM 839 CG LEU C 8 -6.552 4.775 1.613 1.00 0.00 C > ATOM 840 CD1 LEU C 8 -6.917 4.488 3.064 1.00 0.00 C > ATOM 841 CD2 LEU C 8 -5.054 4.991 1.458 1.00 0.00 C > ATOM 842 H LEU C 8 -8.604 5.035 -0.554 1.00 0.00 H > ATOM 843 HA LEU C 8 -5.906 4.249 -1.018 1.00 0.00 H > ATOM 844 1HB LEU C 8 -8.033 3.377 0.974 1.00 0.00 H > ATOM 845 2HB LEU C 8 -6.387 2.736 1.002 1.00 0.00 H > ATOM 846 HG LEU C 8 -7.082 5.678 1.309 1.00 0.00 H > ATOM 847 1HD1 LEU C 8 -6.603 5.323 3.690 1.00 0.00 H > ATOM 848 2HD1 LEU C 8 -7.996 4.358 3.149 1.00 0.00 H > ATOM 849 3HD1 LEU C 8 -6.413 3.579 3.392 1.00 0.00 H > ATOM 850 1HD2 LEU C 8 -4.740 5.827 2.084 1.00 0.00 H > ATOM 851 2HD2 LEU C 8 -4.523 4.089 1.764 1.00 0.00 H > ATOM 852 3HD2 LEU C 8 -4.824 5.211 0.416 1.00 0.00 H > ATOM 853 N LEU C 9 -8.312 2.116 -1.783 1.00 0.00 N > ATOM 854 CA LEU C 9 -8.519 0.931 -2.607 1.00 0.00 C > ATOM 855 C LEU C 9 -7.983 1.140 -4.017 1.00 0.00 C > ATOM 856 O LEU C 9 -7.307 0.273 -4.570 1.00 0.00 O > ATOM 857 CB LEU C 9 -10.011 0.581 -2.667 1.00 0.00 C > ATOM 858 CG LEU C 9 -10.371 -0.656 -3.500 1.00 0.00 C > ATOM 859 CD1 LEU C 9 -9.675 -1.879 -2.919 1.00 0.00 C > ATOM 860 CD2 LEU C 9 -11.882 -0.840 -3.509 1.00 0.00 C > ATOM 861 H LEU C 9 -9.070 2.668 -1.409 1.00 0.00 H > ATOM 862 HA LEU C 9 -7.966 0.106 -2.159 1.00 0.00 H > ATOM 863 1HB LEU C 9 -10.370 0.414 -1.653 1.00 0.00 H > ATOM 864 2HB LEU C 9 -10.551 1.431 -3.086 1.00 0.00 H > ATOM 865 HG LEU C 9 -10.015 -0.524 -4.522 1.00 0.00 H > ATOM 866 1HD1 LEU C 9 -9.931 -2.759 -3.510 1.00 0.00 H > ATOM 867 2HD1 LEU C 9 -8.595 -1.729 -2.942 1.00 0.00 H > ATOM 868 3HD1 LEU C 9 -9.999 -2.028 -1.890 1.00 0.00 H > ATOM 869 1HD2 LEU C 9 -12.138 -1.719 -4.101 1.00 0.00 H > ATOM 870 2HD2 LEU C 9 -12.238 -0.974 -2.488 1.00 0.00 H > ATOM 871 3HD2 LEU C 9 -12.352 0.041 -3.945 1.00 0.00 H > ATOM 872 N ARG C 10 -8.238 2.273 -4.680 1.00 0.00 N > ATOM 873 CA ARG C 10 -7.674 2.584 -5.988 1.00 0.00 C > ATOM 874 C ARG C 10 -6.152 2.512 -5.963 1.00 0.00 C > ATOM 875 O ARG C 10 -5.534 1.928 -6.853 1.00 0.00 O > ATOM 876 CB ARG C 10 -8.105 3.972 -6.440 1.00 0.00 C > ATOM 877 CG ARG C 10 -7.677 4.346 -7.851 1.00 0.00 C > ATOM 878 CD ARG C 10 -8.113 5.720 -8.210 1.00 0.00 C > ATOM 879 NE ARG C 10 -9.553 5.881 -8.090 1.00 0.00 N > ATOM 880 CZ ARG C 10 -10.167 6.573 -7.111 1.00 0.00 C > ATOM 881 NH1 ARG C 10 -9.454 7.161 -6.176 1.00 0.00 N > ATOM 882 NH2 ARG C 10 -11.485 6.661 -7.089 1.00 0.00 N > ATOM 883 H ARG C 10 -8.853 2.958 -4.265 1.00 0.00 H > ATOM 884 HA ARG C 10 -8.032 1.839 -6.698 1.00 0.00 H > ATOM 885 1HB ARG C 10 -9.190 4.048 -6.394 1.00 0.00 H > ATOM 886 2HB ARG C 10 -7.694 4.719 -5.762 1.00 0.00 H > ATOM 887 1HG ARG C 10 -6.591 4.300 -7.926 1.00 0.00 H > ATOM 888 2HG ARG C 10 -8.120 3.648 -8.562 1.00 0.00 H > ATOM 889 1HD ARG C 10 -7.633 6.439 -7.547 1.00 0.00 H > ATOM 890 2HD ARG C 10 -7.831 5.932 -9.241 1.00 0.00 H > ATOM 891 HE ARG C 10 -10.136 5.442 -8.791 1.00 0.00 H > ATOM 892 1HH1 ARG C 10 -8.446 7.094 -6.192 1.00 0.00 H > ATOM 893 2HH1 ARG C 10 -9.913 7.680 -5.442 1.00 0.00 H > ATOM 894 1HH2 ARG C 10 -12.034 6.208 -7.808 1.00 0.00 H > ATOM 895 2HH2 ARG C 10 -11.945 7.179 -6.356 1.00 0.00 H > ATOM 896 N CYX C 11 -5.521 3.108 -4.935 1.00 0.00 N > ATOM 897 CA CYX C 11 -4.088 3.096 -4.671 1.00 0.00 C > ATOM 898 C CYX C 11 -3.559 1.671 -4.565 1.00 0.00 C > ATOM 899 O CYX C 11 -2.542 1.330 -5.170 1.00 0.00 O > ATOM 900 CB CYX C 11 -3.772 3.849 -3.378 1.00 0.00 C > ATOM 901 SG CYX C 11 -2.015 3.883 -2.953 1.00 0.00 S > ATOM 902 H CYX C 11 -6.134 3.604 -4.303 1.00 0.00 H > ATOM 903 HA CYX C 11 -3.580 3.595 -5.496 1.00 0.00 H > ATOM 904 1HB CYX C 11 -4.119 4.879 -3.463 1.00 0.00 H > ATOM 905 2HB CYX C 11 -4.311 3.390 -2.549 1.00 0.00 H > ATOM 906 N LEU C 12 -4.348 0.873 -3.736 1.00 0.00 N > ATOM 907 CA LEU C 12 -3.989 -0.528 -3.549 1.00 0.00 C > ATOM 908 C LEU C 12 -3.875 -1.251 -4.885 1.00 0.00 C > ATOM 909 O LEU C 12 -2.930 -2.005 -5.115 1.00 0.00 O > ATOM 910 CB LEU C 12 -5.031 -1.229 -2.668 1.00 0.00 C > ATOM 911 CG LEU C 12 -4.765 -2.711 -2.375 1.00 0.00 C > ATOM 912 CD1 LEU C 12 -3.448 -2.853 -1.624 1.00 0.00 C > ATOM 913 CD2 LEU C 12 -5.919 -3.284 -1.566 1.00 0.00 C > ATOM 914 H LEU C 12 -5.161 1.240 -3.262 1.00 0.00 H > ATOM 915 HA LEU C 12 -3.013 -0.566 -3.064 1.00 0.00 H > ATOM 916 1HB LEU C 12 -5.086 -0.708 -1.714 1.00 0.00 H > ATOM 917 2HB LEU C 12 -6.003 -1.157 -3.155 1.00 0.00 H > ATOM 918 HG LEU C 12 -4.674 -3.257 -3.314 1.00 0.00 H > ATOM 919 1HD1 LEU C 12 -3.259 -3.906 -1.416 1.00 0.00 H > ATOM 920 2HD1 LEU C 12 -2.637 -2.453 -2.234 1.00 0.00 H > ATOM 921 3HD1 LEU C 12 -3.503 -2.302 -0.686 1.00 0.00 H > ATOM 922 1HD2 LEU C 12 -5.731 -4.338 -1.358 1.00 0.00 H > ATOM 923 2HD2 LEU C 12 -6.011 -2.740 -0.626 1.00 0.00 H > ATOM 924 3HD2 LEU C 12 -6.845 -3.186 -2.133 1.00 0.00 H > ATOM 925 N ASP C 13 -4.844 -1.039 -5.812 1.00 0.00 N > ATOM 926 CA ASP C 13 -4.758 -1.688 -7.114 1.00 0.00 C > ATOM 927 C ASP C 13 -3.530 -1.219 -7.884 1.00 0.00 C > ATOM 928 O ASP C 13 -2.894 -2.000 -8.591 1.00 0.00 O > ATOM 929 CB ASP C 13 -6.019 -1.410 -7.936 1.00 0.00 C > ATOM 930 CG ASP C 13 -7.231 -2.190 -7.444 1.00 0.00 C > ATOM 931 OD1 ASP C 13 -7.049 -3.128 -6.705 1.00 0.00 O > ATOM 932 OD2 ASP C 13 -8.327 -1.841 -7.813 1.00 0.00 O > ATOM 933 H ASP C 13 -5.617 -0.430 -5.585 1.00 0.00 H > ATOM 934 HA ASP C 13 -4.661 -2.762 -6.952 1.00 0.00 H > ATOM 935 1HB ASP C 13 -6.251 -0.346 -7.898 1.00 0.00 H > ATOM 936 2HB ASP C 13 -5.838 -1.669 -8.980 1.00 0.00 H > ATOM 937 N LEU C 14 -3.130 0.048 -7.797 1.00 0.00 N > ATOM 938 CA LEU C 14 -1.969 0.650 -8.441 1.00 0.00 C > ATOM 939 C LEU C 14 -0.672 0.094 -7.868 1.00 0.00 C > ATOM 940 O LEU C 14 0.311 -0.084 -8.588 1.00 0.00 O > ATOM 941 CB LEU C 14 -1.998 2.174 -8.269 1.00 0.00 C > ATOM 942 CG LEU C 14 -3.119 2.906 -9.018 1.00 0.00 C > ATOM 943 CD1 LEU C 14 -3.137 4.370 -8.600 1.00 0.00 C > ATOM 944 CD2 LEU C 14 -2.903 2.769 -10.517 1.00 0.00 C > ATOM 945 H LEU C 14 -3.664 0.695 -7.234 1.00 0.00 H > ATOM 946 HA LEU C 14 -2.000 0.399 -9.501 1.00 0.00 H > ATOM 947 1HB LEU C 14 -2.103 2.402 -7.210 1.00 0.00 H > ATOM 948 2HB LEU C 14 -1.048 2.581 -8.615 1.00 0.00 H > ATOM 949 HG LEU C 14 -4.081 2.471 -8.748 1.00 0.00 H > ATOM 950 1HD1 LEU C 14 -3.934 4.891 -9.131 1.00 0.00 H > ATOM 951 2HD1 LEU C 14 -3.313 4.440 -7.526 1.00 0.00 H > ATOM 952 3HD1 LEU C 14 -2.180 4.830 -8.842 1.00 0.00 H > ATOM 953 1HD2 LEU C 14 -3.700 3.289 -11.050 1.00 0.00 H > ATOM 954 2HD2 LEU C 14 -1.941 3.205 -10.788 1.00 0.00 H > ATOM 955 3HD2 LEU C 14 -2.912 1.714 -10.791 1.00 0.00 H > ATOM 956 N LEU C 15 -0.744 -0.168 -6.515 1.00 0.00 N > ATOM 957 CA LEU C 15 0.335 -0.829 -5.791 1.00 0.00 C > ATOM 958 C LEU C 15 0.480 -2.282 -6.224 1.00 0.00 C > ATOM 959 O LEU C 15 1.590 -2.807 -6.308 1.00 0.00 O > ATOM 960 CB LEU C 15 0.078 -0.762 -4.281 1.00 0.00 C > ATOM 961 CG LEU C 15 0.202 0.629 -3.646 1.00 0.00 C > ATOM 962 CD1 LEU C 15 -0.305 0.579 -2.210 1.00 0.00 C > ATOM 963 CD2 LEU C 15 1.652 1.084 -3.698 1.00 0.00 C > ATOM 964 H LEU C 15 -1.572 0.106 -6.005 1.00 0.00 H > ATOM 965 HA LEU C 15 1.267 -0.315 -6.029 1.00 0.00 H > ATOM 966 1HB LEU C 15 -0.928 -1.129 -4.083 1.00 0.00 H > ATOM 967 2HB LEU C 15 0.788 -1.420 -3.778 1.00 0.00 H > ATOM 968 HG LEU C 15 -0.421 1.336 -4.194 1.00 0.00 H > ATOM 969 1HD1 LEU C 15 -0.217 1.567 -1.759 1.00 0.00 H > ATOM 970 2HD1 LEU C 15 -1.350 0.269 -2.204 1.00 0.00 H > ATOM 971 3HD1 LEU C 15 0.290 -0.134 -1.640 1.00 0.00 H > ATOM 972 1HD2 LEU C 15 1.740 2.074 -3.248 1.00 0.00 H > ATOM 973 2HD2 LEU C 15 2.276 0.379 -3.149 1.00 0.00 H > ATOM 974 3HD2 LEU C 15 1.982 1.128 -4.736 1.00 0.00 H > ATOM 975 N ARG C 16 -0.709 -2.930 -6.504 1.00 0.00 N > ATOM 976 CA ARG C 16 -0.638 -4.301 -6.997 1.00 0.00 C > ATOM 977 C ARG C 16 -0.195 -4.339 -8.454 1.00 0.00 C > ATOM 978 O ARG C 16 0.477 -5.276 -8.884 1.00 0.00 O > ATOM 979 CB ARG C 16 -1.988 -4.989 -6.862 1.00 0.00 C > ATOM 980 CG ARG C 16 -2.435 -5.244 -5.431 1.00 0.00 C > ATOM 981 CD ARG C 16 -3.881 -5.580 -5.360 1.00 0.00 C > ATOM 982 NE ARG C 16 -4.172 -6.858 -5.988 1.00 0.00 N > ATOM 983 CZ ARG C 16 -5.371 -7.205 -6.497 1.00 0.00 C > ATOM 984 NH1 ARG C 16 -6.377 -6.360 -6.443 1.00 0.00 N > ATOM 985 NH2 ARG C 16 -5.535 -8.394 -7.049 1.00 0.00 N > ATOM 986 H ARG C 16 -1.582 -2.442 -6.360 1.00 0.00 H > ATOM 987 HA ARG C 16 0.108 -4.834 -6.407 1.00 0.00 H > ATOM 988 1HB ARG C 16 -2.754 -4.385 -7.344 1.00 0.00 H > ATOM 989 2HB ARG C 16 -1.959 -5.951 -7.374 1.00 0.00 H > ATOM 990 1HG ARG C 16 -1.869 -6.078 -5.016 1.00 0.00 H > ATOM 991 2HG ARG C 16 -2.261 -4.351 -4.831 1.00 0.00 H > ATOM 992 1HD ARG C 16 -4.190 -5.635 -4.316 1.00 0.00 H > ATOM 993 2HD ARG C 16 -4.459 -4.810 -5.869 1.00 0.00 H > ATOM 994 HE ARG C 16 -3.423 -7.534 -6.049 1.00 0.00 H > ATOM 995 1HH1 ARG C 16 -6.251 -5.451 -6.020 1.00 0.00 H > ATOM 996 2HH1 ARG C 16 -7.275 -6.620 -6.824 1.00 0.00 H > ATOM 997 1HH2 ARG C 16 -4.761 -9.043 -7.091 1.00 0.00 H > ATOM 998 2HH2 ARG C 16 -6.433 -8.654 -7.430 1.00 0.00 H > ATOM 999 N LEU C 17 -0.525 -3.362 -9.297 1.00 0.00 N > ATOM 1000 CA LEU C 17 -0.135 -3.299 -10.700 1.00 0.00 C > ATOM 1001 C LEU C 17 1.368 -3.488 -10.863 1.00 0.00 C > ATOM 1002 O LEU C 17 2.158 -2.636 -10.455 1.00 0.00 O > ATOM 1003 CB LEU C 17 -0.556 -1.956 -11.308 1.00 0.00 C > ATOM 1004 CG LEU C 17 -0.271 -1.784 -12.806 1.00 0.00 C > ATOM 1005 CD1 LEU C 17 -1.115 -2.771 -13.600 1.00 0.00 C > ATOM 1006 CD2 LEU C 17 -0.570 -0.351 -13.219 1.00 0.00 C > ATOM 1007 H LEU C 17 -1.088 -2.593 -8.962 1.00 0.00 H > ATOM 1008 HA LEU C 17 -0.632 -4.114 -11.226 1.00 0.00 H > ATOM 1009 1HB LEU C 17 -1.627 -1.828 -11.159 1.00 0.00 H > ATOM 1010 2HB LEU C 17 -0.038 -1.156 -10.778 1.00 0.00 H > ATOM 1011 HG LEU C 17 0.778 -2.008 -13.004 1.00 0.00 H > ATOM 1012 1HD1 LEU C 17 -0.912 -2.650 -14.664 1.00 0.00 H > ATOM 1013 2HD1 LEU C 17 -0.866 -3.789 -13.298 1.00 0.00 H > ATOM 1014 3HD1 LEU C 17 -2.171 -2.583 -13.409 1.00 0.00 H > ATOM 1015 1HD2 LEU C 17 -0.366 -0.229 -14.283 1.00 0.00 H > ATOM 1016 2HD2 LEU C 17 -1.619 -0.127 -13.023 1.00 0.00 H > ATOM 1017 3HD2 LEU C 17 0.060 0.331 -12.648 1.00 0.00 H > ATOM 1018 N PRO C 18 1.758 -4.633 -11.473 1.00 0.00 N > ATOM 1019 CA PRO C 18 3.136 -5.014 -11.760 1.00 0.00 C > ATOM 1020 C PRO C 18 3.852 -3.931 -12.557 1.00 0.00 C > ATOM 1021 O PRO C 18 5.048 -3.703 -12.377 1.00 0.00 O > ATOM 1022 CB PRO C 18 2.975 -6.302 -12.574 1.00 0.00 C > ATOM 1023 CG PRO C 18 1.690 -6.882 -12.090 1.00 0.00 C > ATOM 1024 CD PRO C 18 0.795 -5.690 -11.883 1.00 0.00 C > ATOM 1025 HA PRO C 18 3.659 -5.131 -10.811 1.00 0.00 H > ATOM 1026 1HB PRO C 18 2.960 -6.068 -13.649 1.00 0.00 H > ATOM 1027 2HB PRO C 18 3.835 -6.965 -12.402 1.00 0.00 H > ATOM 1028 1HG PRO C 18 1.290 -7.590 -12.831 1.00 0.00 H > ATOM 1029 2HG PRO C 18 1.856 -7.452 -11.164 1.00 0.00 H > ATOM 1030 1HD PRO C 18 0.291 -5.441 -12.829 1.00 0.00 H > ATOM 1031 2HD PRO C 18 0.058 -5.915 -11.098 1.00 0.00 H > ATOM 1032 N ARG C 19 3.009 -3.280 -13.461 1.00 0.00 N > ATOM 1033 CA ARG C 19 3.598 -2.307 -14.374 1.00 0.00 C > ATOM 1034 C ARG C 19 4.200 -1.133 -13.614 1.00 0.00 C > ATOM 1035 O ARG C 19 3.589 -0.602 -12.686 1.00 0.00 O > ATOM 1036 CB ARG C 19 2.555 -1.792 -15.354 1.00 0.00 C > ATOM 1037 CG ARG C 19 2.001 -2.838 -16.308 1.00 0.00 C > ATOM 1038 CD ARG C 19 3.013 -3.258 -17.310 1.00 0.00 C > ATOM 1039 NE ARG C 19 3.441 -2.147 -18.146 1.00 0.00 N > ATOM 1040 CZ ARG C 19 2.790 -1.723 -19.247 1.00 0.00 C > ATOM 1041 NH1 ARG C 19 1.686 -2.325 -19.630 1.00 0.00 N > ATOM 1042 NH2 ARG C 19 3.262 -0.702 -19.941 1.00 0.00 N > ATOM 1043 H ARG C 19 2.023 -3.497 -13.459 1.00 0.00 H > ATOM 1044 HA ARG C 19 4.403 -2.800 -14.920 1.00 0.00 H > ATOM 1045 1HB ARG C 19 1.715 -1.371 -14.802 1.00 0.00 H > ATOM 1046 2HB ARG C 19 2.985 -0.991 -15.956 1.00 0.00 H > ATOM 1047 1HG ARG C 19 1.692 -3.718 -15.743 1.00 0.00 H > ATOM 1048 2HG ARG C 19 1.141 -2.428 -16.839 1.00 0.00 H > ATOM 1049 1HD ARG C 19 3.889 -3.656 -16.799 1.00 0.00 H > ATOM 1050 2HD ARG C 19 2.590 -4.026 -17.956 1.00 0.00 H > ATOM 1051 HE ARG C 19 4.287 -1.659 -17.883 1.00 0.00 H > ATOM 1052 1HH1 ARG C 19 1.326 -3.105 -19.100 1.00 0.00 H > ATOM 1053 2HH1 ARG C 19 1.198 -2.007 -20.455 1.00 0.00 H > ATOM 1054 1HH2 ARG C 19 4.111 -0.239 -19.646 1.00 0.00 H > ATOM 1055 2HH2 ARG C 19 2.774 -0.384 -20.765 1.00 0.00 H > ATOM 1056 N ASP C 20 5.416 -0.672 -13.963 1.00 0.00 N > ATOM 1057 CA ASP C 20 6.019 0.472 -13.290 1.00 0.00 C > ATOM 1058 C ASP C 20 6.766 1.361 -14.276 1.00 0.00 C > ATOM 1059 O ASP C 20 7.921 1.723 -14.048 1.00 0.00 O > ATOM 1060 CB ASP C 20 6.975 0.004 -12.189 1.00 0.00 C > ATOM 1061 CG ASP C 20 8.140 -0.818 -12.726 1.00 0.00 C > ATOM 1062 OD1 ASP C 20 8.158 -1.088 -13.904 1.00 0.00 O > ATOM 1063 OD2 ASP C 20 8.999 -1.167 -11.953 1.00 0.00 O > ATOM 1064 H ASP C 20 5.923 -1.128 -14.708 1.00 0.00 H > ATOM 1065 HA ASP C 20 5.219 1.064 -12.846 1.00 0.00 H > ATOM 1066 1HB ASP C 20 7.374 0.871 -11.661 1.00 0.00 H > ATOM 1067 2HB ASP C 20 6.428 -0.598 -11.464 1.00 0.00 H > HETATM 1068 CM1 TBS C 21 -1.712 5.548 -2.363 1.00 0.00 C > HETATM 1069 C1 TBS C 21 -0.827 5.561 -1.142 1.00 0.00 C > HETATM 1070 C2 TBS C 21 0.569 5.554 -1.274 1.00 0.00 C > HETATM 1071 H1 TBS C 21 -2.669 6.029 -2.128 1.00 0.00 H > HETATM 1072 H2 TBS C 21 -1.245 6.136 -3.161 1.00 0.00 H > HETATM 1073 H3 TBS C 21 1.013 5.528 -2.268 1.00 0.00 H 2270,2297c2270,2297 < pose -279.715 30.5689 156.293 0.52832 -33.2314 0.14652 -27.8517 0 -1.63241 -4.68048 0 -5.56051 5.27553 74.3129 -6.91354 0 -22.5035 -114.963 < ASP_1 -3.9229 0.04585 2.80959 0.00817 0.33445 0 0 0 0 0 0 -0.39225 0.08446 5.97587 -0.53313 0 -4.89006 -0.47994 < ARG_2 -14.3877 2.15919 8.43911 0.04179 -2.63909 7e-05 0 0 0 -0.73969 0 -0.90062 0.00531 7.53584 -0.19059 0 -0.97308 -1.64949 < PRO_3 -9.169 1.09822 4.25278 0.0035 -0.72993 0.05907 0 0 0 0 0 -0.03381 0.1443 0.34294 -1.23492 0 -5.25145 -10.5183 < ASP_4 -13.5664 1.74744 9.07569 0.01261 -3.05345 0 0 0 0 -0.73969 0 -0.14201 0.11048 5.05721 0.21638 0 -4.89006 -6.17176 < LEU_5 -13.7923 0.85866 6.39949 0.02457 -0.02386 0 0 0 0 0 0 -0.53395 0.10655 0.43659 -0.44135 0 2.28338 -4.68218 < ARG_6 -14.5306 0.75955 8.70241 0.02837 -1.28558 0 0 0 0 0 0 -0.83726 0.38384 4.20279 -0.40006 0 -0.97308 -3.94965 < ASP_7 -14.1095 0.87744 10.7133 0.01198 -4.55467 0 0 0 0 -1.18112 0 -0.57352 0.62651 9.29379 0.04662 0 -4.89006 -3.73921 < LEU_8 -13.8438 1.05499 7.36127 0.02461 -0.62991 0 0 0 0 0 0 -0.4971 1.25211 0.94535 -0.47304 0 2.28338 -2.52216 < LEU_9 -13.5926 1.20828 8.27136 0.03291 -0.30026 0 0 0 0 0 0 -0.33497 0.60894 1.81696 -0.4104 0 2.28338 -0.41635 < ARG_10 -15.8725 1.1218 12.0778 0.05689 -4.46332 0 0 0 0 -1.18112 0 -0.13508 0.28342 5.25672 -0.41983 0 -0.97308 -4.24833 < CYX_11 -15.3434 1.68385 8.9019 0.00499 -1.39994 0 0 0 0 0 0 0.48585 0.00741 2.6786 0.53695 0 1.33138 -1.11241 < LEU_12 -15.6457 1.57458 8.30248 0.03207 -1.59545 0 0 0 0 0 0 -0.0887 0.03386 1.46828 -0.32305 0 2.28338 -3.95825 < ASP_13 -14.1393 0.80028 10.4673 0.01232 -2.05117 0 0 0 0 0 0 -0.52706 0.03109 4.83866 0.11078 0 -4.89006 -5.34722 < LEU_14 -15.0802 1.25454 6.57443 0.02479 0.24358 0 0 0 0 0 0 -0.50027 0.71515 0.58765 -0.48074 0 2.28338 -4.37764 < LEU_15 -16.8971 1.71108 5.76392 0.02361 -0.21697 0 0 0 0 0 0 -0.50342 0.23218 0.66595 -0.48081 0 2.28338 -7.41819 < ARG_16 -10.9379 1.39021 6.42438 0.03592 -1.39605 0 0 0 0 0 0 -0.72832 0.01203 6.38274 -0.38654 0 -0.97308 -0.17658 < LEU_17 -12.9308 3.02691 5.27217 0.03119 0.50316 0.00116 0 0 0 0 0 0.80372 0.03209 0.67811 -1.00056 0 2.28338 -1.29941 < PRO_18 -5.73833 2.10585 2.4606 0.00361 0.80063 0.08622 0 0 0 0 0 -0.13424 0.54684 0.40084 -1.13067 0 -5.25145 -5.85011 < ARG_19 -10.9231 1.65022 7.37969 0.05107 -3.87579 0 0 0 0 -0.41942 0 -1.0818 0.05894 8.17293 0.12776 0 -0.97308 0.16737 < ASP_20 -9.87966 0.28237 7.18171 0.06193 -1.64752 0 0 0 -0.81621 0 0 1.09428 2e-05 7.5751 -0.04636 0 -4.89006 -1.08438 < TBMBSYMM_21 -2.25133 1.34473 0.02376 0.00143 0.02886 0 0 0 0 0 0 0 0 0 0 0 0 -0.85255 < ASP_22 -4.55114 0.22021 5.40885 0 -3.64349 0 0 0 0 -0.41942 0 0 0 0 0 0 0 -2.98499 < ARG_23 -1.04858 0.04079 0.67521 0 -0.05144 0 0 0 0 0 0 0 0 0 0 0 0 -0.38401 < PRO_24 -0.00187 0 0.00046 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00141 < ASP_25 0 0 0 0 0.00106 0 0 0 0 0 0 0 0 0 0 0 0 0.00106 < LEU_26 -4.7886 0.2255 0.23887 0 -0.02875 0 0 0 0 0 0 0 0 0 0 0 0 -4.35297 < ARG_27 -2.94476 0.14233 2.18504 0 -1.37356 0 0 0 -0.81621 0 0 0 0 0 0 0 0 -2.80716 --- > pose -279.936 30.605 156.265 0.54639 -31.2661 0.14771 -27.9288 0 -1.64517 -3.63995 0 -5.7592 4.71579 72.2189 -6.89901 0 -22.5035 -115.079 > ASP_1 -3.94621 0.04657 2.83891 0.00822 0.33349 0 0 0 0 0 0 -0.4018 0.09761 5.958 -0.53098 0 -4.89006 -0.48623 > ARG_2 -14.3319 2.10294 8.41432 0.04167 -2.62965 9e-05 0 0 0 -0.73085 0 -0.91947 0.00663 7.53119 -0.19124 0 -0.97308 -1.67932 > PRO_3 -9.98737 1.12965 5.124 0.00349 -0.21879 0.06868 0 0 0 0 0 0.00032 0.14056 0.3179 -1.19077 0 -5.25145 -9.86377 > ASP_4 -13.8444 1.7272 9.50707 0.01263 -2.9533 0 0 0 0 -0.73085 0 -0.119 0.05889 5.04499 0.20841 0 -4.89006 -5.97838 > LEU_5 -13.7688 0.85464 6.41822 0.02442 -0.02623 0 0 0 0 0 0 -0.54642 0.06358 0.42726 -0.44054 0 2.28338 -4.71049 > ARG_6 -15.2777 0.79304 9.66731 0.02834 -1.39336 0 0 0 0 0 0 -0.81116 0.40328 4.21667 -0.40028 0 -0.97308 -3.7469 > ASP_7 -14.7216 0.81394 11.1666 0.01278 -3.52887 0 0 0 0 -0.65921 0 -0.5724 0.63386 5.14705 0.05706 0 -4.89006 -6.5409 > LEU_8 -13.6442 1.06544 7.07953 0.0245 -0.87209 0 0 0 0 0 0 -0.50482 0.8487 0.89228 -0.47444 0 2.28338 -3.30168 > LEU_9 -13.3354 1.30212 8.13369 0.03279 -0.29766 0 0 0 0 0 0 -0.30413 0.44973 1.69945 -0.41531 0 2.28338 -0.4514 > ARG_10 -14.6416 1.08734 10.5229 0.0731 -3.60756 0 0 0 0 -0.65921 0 -0.23727 0.27053 7.37546 -0.41538 0 -0.97308 -1.20484 > CYX_11 -14.9308 1.7171 8.49292 0.00493 -1.28814 0 0 0 0 0 0 0.49523 0.02319 2.69038 0.56562 0 1.33138 -0.89814 > LEU_12 -15.4479 1.49927 8.28946 0.03218 -1.62339 0 0 0 0 0 0 -0.08791 0.03414 1.45569 -0.32378 0 2.28338 -3.88885 > ASP_13 -14.2687 0.78151 10.5778 0.01232 -2.31587 0 0 0 0 0 0 -0.56826 0.03714 4.88242 0.08566 0 -4.89006 -5.66604 > LEU_14 -14.592 1.15515 5.90709 0.02466 0.22583 0 0 0 0 0 0 -0.50529 0.74249 0.57447 -0.48151 0 2.28338 -4.66567 > LEU_15 -16.9407 1.74638 5.79526 0.02316 -0.22753 0 0 0 0 0 0 -0.49103 0.21941 0.75917 -0.47753 0 2.28338 -7.31 > ARG_16 -11.1491 1.30151 6.67502 0.0379 -1.65433 0 0 0 0 0 0 -0.75425 0.01522 6.74898 -0.39017 0 -0.97308 -0.1423 > LEU_17 -12.9359 3.10749 5.26824 0.03104 0.49038 0.00154 0 0 0 0 0 0.72115 0.03149 0.67333 -0.87048 0 2.28338 -1.19833 > PRO_18 -5.72341 2.12217 2.44709 0.00361 0.80698 0.07739 0 0 0 0 0 -0.14401 0.58717 0.41328 -1.14265 0 -5.25145 -5.80383 > ARG_19 -10.9465 1.73524 7.32913 0.05122 -3.80369 0 0 0 0 -0.42991 0 -1.09387 0.05216 8.04814 0.20064 0 -0.97308 0.16947 > ASP_20 -9.8868 0.30947 7.17449 0.062 -1.55145 0 0 0 -0.82258 0 0 1.08519 1e-05 7.36281 -0.27136 0 -4.89006 -1.42828 > TBMBSYMM_21 -2.2725 1.36563 0.01932 0.00141 0.03147 0 0 0 0 0 0 0 0 0 0 0 0 -0.85466 > ASP_22 -4.54413 0.21977 5.39197 0 -3.57219 0 0 0 0 -0.42991 0 0 0 0 0 0 0 -2.93449 > ARG_23 -1.05735 0.04215 0.67835 0 -0.03825 0 0 0 0 0 0 0 0 0 0 0 0 -0.3751 > PRO_24 -0.00204 0 0.0005 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00154 > ASP_25 0 0 0 0 0.00164 0 0 0 0 0 0 0 0 0 0 0 0 0.00164 > LEU_26 -4.90153 0.23652 0.27208 0 -0.03389 0 0 0 0 0 0 0 0 0 0 0 0 -4.42682 > ARG_27 -2.87106 0.15898 2.11303 0 -1.31917 0 0 0 -0.82258 0 0 0 0 0 0 0 0 -2.7408 2299,2300c2299,2300 < LEU_29 -4.17835 0.71814 0.03185 0 -0.0931 0 0 0 0 0 0 0 0 0 0 0 0 -3.52147 < LEU_30 -1.04112 0.00377 0.78621 0 -0.13378 0 0 0 0 0 0 0 0 0 0 0 0 -0.38491 --- > LEU_29 -4.17688 0.65966 0.03587 0 -0.10203 0 0 0 0 0 0 0 0 0 0 0 0 -3.58339 > LEU_30 -1.09003 0.00876 0.81798 0 -0.13894 0 0 0 0 0 0 0 0 0 0 0 0 -0.40222 2302,2303c2302,2303 < CYX_32 -0.8191 0.05669 0.23095 0 0.03581 0 0 0 0 0 0 0 0 0 0 0 0 -0.49565 < LEU_33 -2.69668 0.22246 0.08296 0 0.00563 0 0 0 0 0 0 0 0 0 0 0 0 -2.38563 --- > CYX_32 -0.82436 0.05395 0.22813 0 0.0338 0 0 0 0 0 0 0 0 0 0 0 0 -0.50848 > LEU_33 -2.78649 0.27659 0.08055 0 0.00382 0 0 0 0 0 0 0 0 0 0 0 0 -2.42553 2306c2306 < LEU_36 -0.58477 0.00852 -0.24983 0 0.0008 0 0 0 0 0 0 0 0 0 0 0 0 -0.82527 --- > LEU_36 -0.58219 0.00922 -0.24893 0 0.00093 0 0 0 0 0 0 0 0 0 0 0 0 -0.82097 2312c2312 < TBMBSYMM_42 -0.50546 1.17444 0.04687 0 0.00169 0 0 0 0 0 0 0 0 0 0 0 0 0.71754 --- > TBMBSYMM_42 -0.50633 1.17558 0.04736 0 0.00192 0 0 0 0 0 0 0 0 0 0 0 0 0.71852 2339c2339 < bad_linker_filter 3.47952 --- > bad_linker_filter 3.46033 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/S_0003.pdb /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/S_0003.pdb 112c112 < LINK N ASP A 1 C PRO C 20 1.32 --- > LINK N PRO A 1 C PRO C 20 1.32 116,117c116,117 < LINK C PRO A 20 N ASP B 1 1.32 < LINK C PRO B 20 N ASP C 1 1.32 --- > LINK C PRO A 20 N PRO B 1 1.32 > LINK C PRO B 20 N PRO C 1 1.32 121,440c121,445 < ATOM 1 N ASP A 1 9.259 1.667 -12.628 1.00 0.00 N < ATOM 2 CA ASP A 1 9.849 3.000 -12.609 1.00 0.00 C < ATOM 3 C ASP A 1 8.945 3.993 -11.889 1.00 0.00 C < ATOM 4 O ASP A 1 9.261 5.179 -11.793 1.00 0.00 O < ATOM 5 CB ASP A 1 10.119 3.488 -14.035 1.00 0.00 C < ATOM 6 CG ASP A 1 11.168 2.653 -14.757 1.00 0.00 C < ATOM 7 OD1 ASP A 1 12.017 2.101 -14.098 1.00 0.00 O < ATOM 8 OD2 ASP A 1 11.111 2.576 -15.961 1.00 0.00 O < ATOM 9 H ASP A 1 8.445 1.497 -13.200 1.00 0.00 H < ATOM 10 HA ASP A 1 10.790 2.947 -12.061 1.00 0.00 H < ATOM 11 1HB ASP A 1 9.194 3.459 -14.610 1.00 0.00 H < ATOM 12 2HB ASP A 1 10.456 4.524 -14.008 1.00 0.00 H < ATOM 13 N VAL A 2 7.780 3.430 -11.380 1.00 0.00 N < ATOM 14 CA VAL A 2 6.821 4.323 -10.740 1.00 0.00 C < ATOM 15 C VAL A 2 7.281 4.715 -9.342 1.00 0.00 C < ATOM 16 O VAL A 2 7.530 3.855 -8.496 1.00 0.00 O < ATOM 17 CB VAL A 2 5.439 3.649 -10.653 1.00 0.00 C < ATOM 18 CG1 VAL A 2 4.445 4.562 -9.951 1.00 0.00 C < ATOM 19 CG2 VAL A 2 4.950 3.290 -12.048 1.00 0.00 C < ATOM 20 H VAL A 2 7.573 2.443 -11.434 1.00 0.00 H < ATOM 21 HA VAL A 2 6.756 5.233 -11.337 1.00 0.00 H < ATOM 22 HB VAL A 2 5.524 2.744 -10.053 1.00 0.00 H < ATOM 23 1HG1 VAL A 2 3.473 4.070 -9.898 1.00 0.00 H < ATOM 24 2HG1 VAL A 2 4.798 4.777 -8.942 1.00 0.00 H < ATOM 25 3HG1 VAL A 2 4.349 5.493 -10.509 1.00 0.00 H < ATOM 26 1HG2 VAL A 2 3.972 2.814 -11.979 1.00 0.00 H < ATOM 27 2HG2 VAL A 2 4.870 4.196 -12.650 1.00 0.00 H < ATOM 28 3HG2 VAL A 2 5.655 2.604 -12.516 1.00 0.00 H < ATOM 29 N PRO A 3 7.423 5.999 -9.006 1.00 0.00 N < ATOM 30 CA PRO A 3 7.879 6.450 -7.696 1.00 0.00 C < ATOM 31 C PRO A 3 7.027 5.856 -6.582 1.00 0.00 C < ATOM 32 O PRO A 3 7.547 5.427 -5.552 1.00 0.00 O < ATOM 33 CB PRO A 3 7.718 7.971 -7.780 1.00 0.00 C < ATOM 34 CG PRO A 3 7.904 8.279 -9.227 1.00 0.00 C < ATOM 35 CD PRO A 3 7.228 7.141 -9.942 1.00 0.00 C < ATOM 36 HA PRO A 3 8.903 6.102 -7.556 1.00 0.00 H < ATOM 37 1HB PRO A 3 6.727 8.266 -7.405 1.00 0.00 H < ATOM 38 2HB PRO A 3 8.464 8.464 -7.139 1.00 0.00 H < ATOM 39 1HG PRO A 3 7.458 9.256 -9.467 1.00 0.00 H < ATOM 40 2HG PRO A 3 8.976 8.352 -9.465 1.00 0.00 H < ATOM 41 1HD PRO A 3 6.161 7.375 -10.079 1.00 0.00 H < ATOM 42 2HD PRO A 3 7.716 6.975 -10.914 1.00 0.00 H < ATOM 43 N ASP A 4 5.695 5.823 -6.780 1.00 0.00 N < ATOM 44 CA ASP A 4 4.695 5.305 -5.853 1.00 0.00 C < ATOM 45 C ASP A 4 4.935 3.832 -5.551 1.00 0.00 C < ATOM 46 O ASP A 4 4.818 3.396 -4.406 1.00 0.00 O < ATOM 47 CB ASP A 4 3.287 5.493 -6.423 1.00 0.00 C < ATOM 48 CG ASP A 4 2.814 6.939 -6.368 1.00 0.00 C < ATOM 49 OD1 ASP A 4 3.455 7.729 -5.717 1.00 0.00 O < ATOM 50 OD2 ASP A 4 1.816 7.240 -6.979 1.00 0.00 O < ATOM 51 H ASP A 4 5.317 6.185 -7.643 1.00 0.00 H < ATOM 52 HA ASP A 4 4.784 5.857 -4.917 1.00 0.00 H < ATOM 53 1HB ASP A 4 3.267 5.158 -7.461 1.00 0.00 H < ATOM 54 2HB ASP A 4 2.583 4.874 -5.866 1.00 0.00 H < ATOM 55 N ALA A 5 5.282 3.105 -6.692 1.00 0.00 N < ATOM 56 CA ALA A 5 5.525 1.672 -6.568 1.00 0.00 C < ATOM 57 C ALA A 5 6.786 1.395 -5.760 1.00 0.00 C < ATOM 58 O ALA A 5 6.834 0.452 -4.970 1.00 0.00 O < ATOM 59 CB ALA A 5 5.628 1.031 -7.944 1.00 0.00 C < ATOM 60 H ALA A 5 5.357 3.585 -7.578 1.00 0.00 H < ATOM 61 HA ALA A 5 4.683 1.231 -6.035 1.00 0.00 H < ATOM 62 1HB ALA A 5 5.809 -0.038 -7.835 1.00 0.00 H < ATOM 63 2HB ALA A 5 4.697 1.187 -8.489 1.00 0.00 H < ATOM 64 3HB ALA A 5 6.450 1.484 -8.496 1.00 0.00 H < ATOM 65 N ARG A 6 7.853 2.212 -5.929 1.00 0.00 N < ATOM 66 CA ARG A 6 9.071 1.998 -5.157 1.00 0.00 C < ATOM 67 C ARG A 6 8.826 2.218 -3.669 1.00 0.00 C < ATOM 68 O ARG A 6 9.309 1.456 -2.832 1.00 0.00 O < ATOM 69 CB ARG A 6 10.176 2.932 -5.629 1.00 0.00 C < ATOM 70 CG ARG A 6 10.739 2.611 -7.004 1.00 0.00 C < ATOM 71 CD ARG A 6 12.001 3.350 -7.266 1.00 0.00 C < ATOM 72 NE ARG A 6 11.781 4.784 -7.358 1.00 0.00 N < ATOM 73 CZ ARG A 6 11.415 5.432 -8.481 1.00 0.00 C < ATOM 74 NH1 ARG A 6 11.233 4.761 -9.597 1.00 0.00 N < ATOM 75 NH2 ARG A 6 11.240 6.741 -8.461 1.00 0.00 N < ATOM 76 H ARG A 6 7.793 2.969 -6.595 1.00 0.00 H < ATOM 77 HA ARG A 6 9.382 0.962 -5.294 1.00 0.00 H < ATOM 78 1HB ARG A 6 9.801 3.954 -5.657 1.00 0.00 H < ATOM 79 2HB ARG A 6 11.003 2.905 -4.919 1.00 0.00 H < ATOM 80 1HG ARG A 6 10.947 1.543 -7.073 1.00 0.00 H < ATOM 81 2HG ARG A 6 10.014 2.890 -7.769 1.00 0.00 H < ATOM 82 1HD ARG A 6 12.706 3.164 -6.457 1.00 0.00 H < ATOM 83 2HD ARG A 6 12.432 3.010 -8.208 1.00 0.00 H < ATOM 84 HE ARG A 6 11.912 5.334 -6.519 1.00 0.00 H < ATOM 85 1HH1 ARG A 6 11.367 3.760 -9.612 1.00 0.00 H < ATOM 86 2HH1 ARG A 6 10.959 5.246 -10.439 1.00 0.00 H < ATOM 87 1HH2 ARG A 6 11.380 7.257 -7.603 1.00 0.00 H < ATOM 88 2HH2 ARG A 6 10.966 7.227 -9.303 1.00 0.00 H < ATOM 89 N ARG A 7 8.081 3.245 -3.262 1.00 0.00 N < ATOM 90 CA ARG A 7 7.650 3.536 -1.900 1.00 0.00 C < ATOM 91 C ARG A 7 6.703 2.461 -1.382 1.00 0.00 C < ATOM 92 O ARG A 7 6.770 2.070 -0.216 1.00 0.00 O < ATOM 93 CB ARG A 7 6.960 4.890 -1.835 1.00 0.00 C < ATOM 94 CG ARG A 7 6.574 5.344 -0.436 1.00 0.00 C < ATOM 95 CD ARG A 7 6.035 6.728 -0.437 1.00 0.00 C < ATOM 96 NE ARG A 7 5.678 7.172 0.901 1.00 0.00 N < ATOM 97 CZ ARG A 7 5.139 8.373 1.190 1.00 0.00 C < ATOM 98 NH1 ARG A 7 4.901 9.235 0.228 1.00 0.00 N < ATOM 99 NH2 ARG A 7 4.849 8.682 2.442 1.00 0.00 N < ATOM 100 H ARG A 7 7.760 3.920 -3.942 1.00 0.00 H < ATOM 101 HA ARG A 7 8.532 3.541 -1.259 1.00 0.00 H < ATOM 102 1HB ARG A 7 7.613 5.651 -2.260 1.00 0.00 H < ATOM 103 2HB ARG A 7 6.051 4.865 -2.436 1.00 0.00 H < ATOM 104 1HG ARG A 7 5.809 4.679 -0.035 1.00 0.00 H < ATOM 105 2HG ARG A 7 7.452 5.318 0.211 1.00 0.00 H < ATOM 106 1HD ARG A 7 6.786 7.411 -0.833 1.00 0.00 H < ATOM 107 2HD ARG A 7 5.142 6.771 -1.059 1.00 0.00 H < ATOM 108 HE ARG A 7 5.847 6.535 1.668 1.00 0.00 H < ATOM 109 1HH1 ARG A 7 5.122 8.999 -0.729 1.00 0.00 H < ATOM 110 2HH1 ARG A 7 4.496 10.135 0.445 1.00 0.00 H < ATOM 111 1HH2 ARG A 7 5.032 8.019 3.183 1.00 0.00 H < ATOM 112 2HH2 ARG A 7 4.445 9.581 2.659 1.00 0.00 H < ATOM 113 N ALA A 8 5.814 2.017 -2.342 1.00 0.00 N < ATOM 114 CA ALA A 8 4.834 0.974 -2.062 1.00 0.00 C < ATOM 115 C ALA A 8 5.510 -0.300 -1.571 1.00 0.00 C < ATOM 116 O ALA A 8 5.149 -0.842 -0.526 1.00 0.00 O < ATOM 117 CB ALA A 8 3.999 0.685 -3.301 1.00 0.00 C < ATOM 118 H ALA A 8 5.842 2.425 -3.265 1.00 0.00 H < ATOM 119 HA ALA A 8 4.177 1.330 -1.268 1.00 0.00 H < ATOM 120 1HB ALA A 8 3.272 -0.096 -3.076 1.00 0.00 H < ATOM 121 2HB ALA A 8 3.475 1.591 -3.606 1.00 0.00 H < ATOM 122 3HB ALA A 8 4.649 0.353 -4.108 1.00 0.00 H < ATOM 123 N ILE A 9 6.529 -0.774 -2.373 1.00 0.00 N < ATOM 124 CA ILE A 9 7.234 -1.975 -1.942 1.00 0.00 C < ATOM 125 C ILE A 9 7.818 -1.801 -0.546 1.00 0.00 C < ATOM 126 O ILE A 9 7.771 -2.716 0.275 1.00 0.00 O < ATOM 127 CB ILE A 9 8.360 -2.335 -2.929 1.00 0.00 C < ATOM 128 CG1 ILE A 9 7.772 -2.777 -4.272 1.00 0.00 C < ATOM 129 CG2 ILE A 9 9.249 -3.424 -2.348 1.00 0.00 C < ATOM 130 CD1 ILE A 9 8.790 -2.860 -5.386 1.00 0.00 C < ATOM 131 H ILE A 9 6.753 -0.281 -3.226 1.00 0.00 H < ATOM 132 HA ILE A 9 6.516 -2.794 -1.904 1.00 0.00 H < ATOM 133 HB ILE A 9 8.966 -1.451 -3.127 1.00 0.00 H < ATOM 134 1HG1 ILE A 9 7.308 -3.757 -4.160 1.00 0.00 H < ATOM 135 2HG1 ILE A 9 6.992 -2.079 -4.575 1.00 0.00 H < ATOM 136 1HG2 ILE A 9 10.039 -3.666 -3.059 1.00 0.00 H < ATOM 137 2HG2 ILE A 9 9.693 -3.073 -1.418 1.00 0.00 H < ATOM 138 3HG2 ILE A 9 8.652 -4.314 -2.152 1.00 0.00 H < ATOM 139 1HD1 ILE A 9 8.298 -3.180 -6.305 1.00 0.00 H < ATOM 140 2HD1 ILE A 9 9.243 -1.880 -5.539 1.00 0.00 H < ATOM 141 3HD1 ILE A 9 9.563 -3.580 -5.120 1.00 0.00 H < ATOM 142 N ARG A 10 8.392 -0.656 -0.181 1.00 0.00 N < ATOM 143 CA ARG A 10 9.012 -0.399 1.113 1.00 0.00 C < ATOM 144 C ARG A 10 7.994 -0.503 2.242 1.00 0.00 C < ATOM 145 O ARG A 10 8.261 -1.112 3.277 1.00 0.00 O < ATOM 146 CB ARG A 10 9.651 0.981 1.136 1.00 0.00 C < ATOM 147 CG ARG A 10 10.892 1.125 0.269 1.00 0.00 C < ATOM 148 CD ARG A 10 11.395 2.523 0.259 1.00 0.00 C < ATOM 149 NE ARG A 10 12.588 2.664 -0.561 1.00 0.00 N < ATOM 150 CZ ARG A 10 13.162 3.840 -0.880 1.00 0.00 C < ATOM 151 NH1 ARG A 10 12.643 4.966 -0.441 1.00 0.00 N < ATOM 152 NH2 ARG A 10 14.248 3.863 -1.633 1.00 0.00 N < ATOM 153 H ARG A 10 8.413 0.114 -0.835 1.00 0.00 H < ATOM 154 HA ARG A 10 9.774 -1.160 1.280 1.00 0.00 H < ATOM 155 1HB ARG A 10 8.927 1.723 0.801 1.00 0.00 H < ATOM 156 2HB ARG A 10 9.931 1.236 2.158 1.00 0.00 H < ATOM 157 1HG ARG A 10 11.682 0.480 0.655 1.00 0.00 H < ATOM 158 2HG ARG A 10 10.656 0.838 -0.756 1.00 0.00 H < ATOM 159 1HD ARG A 10 10.626 3.183 -0.142 1.00 0.00 H < ATOM 160 2HD ARG A 10 11.642 2.829 1.275 1.00 0.00 H < ATOM 161 HE ARG A 10 13.016 1.820 -0.917 1.00 0.00 H < ATOM 162 1HH1 ARG A 10 11.813 4.949 0.135 1.00 0.00 H < ATOM 163 2HH1 ARG A 10 13.074 5.847 -0.680 1.00 0.00 H < ATOM 164 1HH2 ARG A 10 14.647 2.998 -1.970 1.00 0.00 H < ATOM 165 2HH2 ARG A 10 14.679 4.744 -1.871 1.00 0.00 H < ATOM 166 N CYX A 11 6.806 0.113 2.017 1.00 0.00 N < ATOM 167 CA CYX A 11 5.738 0.265 2.999 1.00 0.00 C < ATOM 168 C CYX A 11 5.001 -1.049 3.219 1.00 0.00 C < ATOM 169 O CYX A 11 4.493 -1.312 4.309 1.00 0.00 O < ATOM 170 CB CYX A 11 4.741 1.333 2.548 1.00 0.00 C < ATOM 171 SG CYX A 11 3.722 0.843 1.136 1.00 0.00 S < ATOM 172 H CYX A 11 6.677 0.487 1.088 1.00 0.00 H < ATOM 173 HA CYX A 11 6.180 0.579 3.944 1.00 0.00 H < ATOM 174 1HB CYX A 11 4.076 1.582 3.374 1.00 0.00 H < ATOM 175 2HB CYX A 11 5.279 2.241 2.276 1.00 0.00 H < ATOM 176 N VAL A 12 4.984 -1.860 2.082 1.00 0.00 N < ATOM 177 CA VAL A 12 4.432 -3.203 2.205 1.00 0.00 C < ATOM 178 C VAL A 12 5.322 -4.088 3.068 1.00 0.00 C < ATOM 179 O VAL A 12 4.833 -4.918 3.834 1.00 0.00 O < ATOM 180 CB VAL A 12 4.270 -3.845 0.814 1.00 0.00 C < ATOM 181 CG1 VAL A 12 3.973 -5.331 0.945 1.00 0.00 C < ATOM 182 CG2 VAL A 12 3.163 -3.140 0.045 1.00 0.00 C < ATOM 183 H VAL A 12 5.337 -1.554 1.186 1.00 0.00 H < ATOM 184 HA VAL A 12 3.461 -3.127 2.696 1.00 0.00 H < ATOM 185 HB VAL A 12 5.209 -3.751 0.269 1.00 0.00 H < ATOM 186 1HG1 VAL A 12 3.862 -5.769 -0.048 1.00 0.00 H < ATOM 187 2HG1 VAL A 12 4.795 -5.822 1.467 1.00 0.00 H < ATOM 188 3HG1 VAL A 12 3.050 -5.470 1.507 1.00 0.00 H < ATOM 189 1HG2 VAL A 12 3.055 -3.598 -0.938 1.00 0.00 H < ATOM 190 2HG2 VAL A 12 2.225 -3.228 0.593 1.00 0.00 H < ATOM 191 3HG2 VAL A 12 3.416 -2.086 -0.072 1.00 0.00 H < ATOM 192 N ASP A 13 6.659 -3.961 2.994 1.00 0.00 N < ATOM 193 CA ASP A 13 7.550 -4.670 3.904 1.00 0.00 C < ATOM 194 C ASP A 13 7.215 -4.358 5.357 1.00 0.00 C < ATOM 195 O ASP A 13 7.245 -5.240 6.215 1.00 0.00 O < ATOM 196 CB ASP A 13 9.009 -4.302 3.621 1.00 0.00 C < ATOM 197 CG ASP A 13 9.513 -4.859 2.296 1.00 0.00 C < ATOM 198 OD1 ASP A 13 8.849 -5.698 1.735 1.00 0.00 O < ATOM 199 OD2 ASP A 13 10.558 -4.440 1.859 1.00 0.00 O < ATOM 200 H ASP A 13 7.057 -3.359 2.288 1.00 0.00 H < ATOM 201 HA ASP A 13 7.410 -5.740 3.752 1.00 0.00 H < ATOM 202 1HB ASP A 13 9.115 -3.217 3.607 1.00 0.00 H < ATOM 203 2HB ASP A 13 9.642 -4.683 4.423 1.00 0.00 H < ATOM 204 N LEU A 14 6.885 -3.104 5.688 1.00 0.00 N < ATOM 205 CA LEU A 14 6.535 -2.605 7.012 1.00 0.00 C < ATOM 206 C LEU A 14 5.235 -3.226 7.508 1.00 0.00 C < ATOM 207 O LEU A 14 5.084 -3.507 8.697 1.00 0.00 O < ATOM 208 CB LEU A 14 6.401 -1.078 6.985 1.00 0.00 C < ATOM 209 CG LEU A 14 7.706 -0.299 6.777 1.00 0.00 C < ATOM 210 CD1 LEU A 14 7.394 1.182 6.609 1.00 0.00 C < ATOM 211 CD2 LEU A 14 8.632 -0.532 7.962 1.00 0.00 C < ATOM 212 H LEU A 14 6.866 -2.395 4.969 1.00 0.00 H < ATOM 213 HA LEU A 14 7.327 -2.893 7.703 1.00 0.00 H < ATOM 214 1HB LEU A 14 5.720 -0.803 6.182 1.00 0.00 H < ATOM 215 2HB LEU A 14 5.967 -0.750 7.930 1.00 0.00 H < ATOM 216 HG LEU A 14 8.193 -0.643 5.864 1.00 0.00 H < ATOM 217 1HD1 LEU A 14 8.322 1.735 6.461 1.00 0.00 H < ATOM 218 2HD1 LEU A 14 6.747 1.321 5.743 1.00 0.00 H < ATOM 219 3HD1 LEU A 14 6.891 1.550 7.502 1.00 0.00 H < ATOM 220 1HD2 LEU A 14 9.560 0.020 7.813 1.00 0.00 H < ATOM 221 2HD2 LEU A 14 8.146 -0.188 8.876 1.00 0.00 H < ATOM 222 3HD2 LEU A 14 8.852 -1.596 8.047 1.00 0.00 H < ATOM 223 N VAL A 15 4.312 -3.413 6.485 1.00 0.00 N < ATOM 224 CA VAL A 15 3.046 -4.087 6.747 1.00 0.00 C < ATOM 225 C VAL A 15 3.269 -5.525 7.197 1.00 0.00 C < ATOM 226 O VAL A 15 2.639 -5.994 8.144 1.00 0.00 O < ATOM 227 CB VAL A 15 2.165 -4.078 5.484 1.00 0.00 C < ATOM 228 CG1 VAL A 15 0.974 -5.009 5.659 1.00 0.00 C < ATOM 229 CG2 VAL A 15 1.701 -2.660 5.186 1.00 0.00 C < ATOM 230 H VAL A 15 4.531 -3.077 5.558 1.00 0.00 H < ATOM 231 HA VAL A 15 2.543 -3.558 7.556 1.00 0.00 H < ATOM 232 HB VAL A 15 2.747 -4.455 4.643 1.00 0.00 H < ATOM 233 1HG1 VAL A 15 0.362 -4.991 4.756 1.00 0.00 H < ATOM 234 2HG1 VAL A 15 1.329 -6.024 5.835 1.00 0.00 H < ATOM 235 3HG1 VAL A 15 0.376 -4.680 6.508 1.00 0.00 H < ATOM 236 1HG2 VAL A 15 1.079 -2.661 4.291 1.00 0.00 H < ATOM 237 2HG2 VAL A 15 1.124 -2.281 6.029 1.00 0.00 H < ATOM 238 3HG2 VAL A 15 2.569 -2.021 5.023 1.00 0.00 H < ATOM 239 N ARG A 16 4.195 -6.252 6.498 1.00 0.00 N < ATOM 240 CA ARG A 16 4.472 -7.621 6.916 1.00 0.00 C < ATOM 241 C ARG A 16 5.126 -7.655 8.292 1.00 0.00 C < ATOM 242 O ARG A 16 4.846 -8.539 9.101 1.00 0.00 O < ATOM 243 CB ARG A 16 5.378 -8.316 5.910 1.00 0.00 C < ATOM 244 CG ARG A 16 4.740 -8.588 4.557 1.00 0.00 C < ATOM 245 CD ARG A 16 5.516 -9.585 3.775 1.00 0.00 C < ATOM 246 NE ARG A 16 6.917 -9.213 3.660 1.00 0.00 N < ATOM 247 CZ ARG A 16 7.415 -8.389 2.717 1.00 0.00 C < ATOM 248 NH1 ARG A 16 6.616 -7.861 1.817 1.00 0.00 N < ATOM 249 NH2 ARG A 16 8.707 -8.113 2.698 1.00 0.00 N < ATOM 250 H ARG A 16 4.664 -5.825 5.711 1.00 0.00 H < ATOM 251 HA ARG A 16 3.523 -8.152 6.984 1.00 0.00 H < ATOM 252 1HB ARG A 16 6.266 -7.708 5.740 1.00 0.00 H < ATOM 253 2HB ARG A 16 5.708 -9.271 6.317 1.00 0.00 H < ATOM 254 1HG ARG A 16 3.731 -8.975 4.701 1.00 0.00 H < ATOM 255 2HG ARG A 16 4.695 -7.661 3.983 1.00 0.00 H < ATOM 256 1HD ARG A 16 5.460 -10.555 4.266 1.00 0.00 H < ATOM 257 2HD ARG A 16 5.100 -9.662 2.771 1.00 0.00 H < ATOM 258 HE ARG A 16 7.563 -9.600 4.335 1.00 0.00 H < ATOM 259 1HH1 ARG A 16 5.628 -8.073 1.832 1.00 0.00 H < ATOM 260 2HH1 ARG A 16 6.989 -7.244 1.111 1.00 0.00 H < ATOM 261 1HH2 ARG A 16 9.322 -8.519 3.390 1.00 0.00 H < ATOM 262 2HH2 ARG A 16 9.080 -7.496 1.991 1.00 0.00 H < ATOM 263 N ASP A 17 6.014 -6.730 8.647 1.00 0.00 N < ATOM 264 CA ASP A 17 6.660 -6.604 9.948 1.00 0.00 C < ATOM 265 C ASP A 17 5.655 -6.228 11.029 1.00 0.00 C < ATOM 266 O ASP A 17 4.615 -5.635 10.743 1.00 0.00 O < ATOM 267 CB ASP A 17 7.776 -5.558 9.894 1.00 0.00 C < ATOM 268 CG ASP A 17 8.990 -6.027 9.103 1.00 0.00 C < ATOM 269 OD1 ASP A 17 9.063 -7.194 8.800 1.00 0.00 O < ATOM 270 OD2 ASP A 17 9.833 -5.213 8.810 1.00 0.00 O < ATOM 271 H ASP A 17 6.290 -6.029 7.975 1.00 0.00 H < ATOM 272 HA ASP A 17 7.085 -7.574 10.210 1.00 0.00 H < ATOM 273 1HB ASP A 17 7.395 -4.643 9.439 1.00 0.00 H < ATOM 274 2HB ASP A 17 8.094 -5.312 10.907 1.00 0.00 H < ATOM 275 N PRO A 18 6.021 -6.606 12.292 1.00 0.00 N < ATOM 276 CA PRO A 18 5.244 -6.302 13.488 1.00 0.00 C < ATOM 277 C PRO A 18 4.891 -4.822 13.555 1.00 0.00 C < ATOM 278 O PRO A 18 5.771 -3.962 13.513 1.00 0.00 O < ATOM 279 CB PRO A 18 6.186 -6.711 14.624 1.00 0.00 C < ATOM 280 CG PRO A 18 7.002 -7.816 14.044 1.00 0.00 C < ATOM 281 CD PRO A 18 7.248 -7.391 12.621 1.00 0.00 C < ATOM 282 HA PRO A 18 4.312 -6.866 13.438 1.00 0.00 H < ATOM 283 1HB PRO A 18 6.795 -5.849 14.936 1.00 0.00 H < ATOM 284 2HB PRO A 18 5.603 -7.026 15.502 1.00 0.00 H < ATOM 285 1HG PRO A 18 7.933 -7.941 14.616 1.00 0.00 H < ATOM 286 2HG PRO A 18 6.455 -8.768 14.114 1.00 0.00 H < ATOM 287 1HD PRO A 18 8.153 -6.768 12.575 1.00 0.00 H < ATOM 288 2HD PRO A 18 7.359 -8.283 11.986 1.00 0.00 H < ATOM 289 N ASP A 19 3.526 -4.575 13.663 1.00 0.00 N < ATOM 290 CA ASP A 19 3.091 -3.183 13.697 1.00 0.00 C < ATOM 291 C ASP A 19 4.194 -2.274 14.223 1.00 0.00 C < ATOM 292 O ASP A 19 4.449 -2.223 15.427 1.00 0.00 O < ATOM 293 CB ASP A 19 1.840 -3.034 14.567 1.00 0.00 C < ATOM 294 CG ASP A 19 1.228 -1.642 14.489 1.00 0.00 C < ATOM 295 OD1 ASP A 19 1.807 -0.794 13.854 1.00 0.00 O < ATOM 296 OD2 ASP A 19 0.186 -1.440 15.067 1.00 0.00 O < ATOM 297 H ASP A 19 2.887 -5.355 13.714 1.00 0.00 H < ATOM 298 HA ASP A 19 2.862 -2.875 12.677 1.00 0.00 H < ATOM 299 1HB ASP A 19 1.091 -3.762 14.255 1.00 0.00 H < ATOM 300 2HB ASP A 19 2.092 -3.247 15.606 1.00 0.00 H < ATOM 301 N PRO A 20 4.905 -1.514 13.385 1.00 0.00 N < ATOM 302 CA PRO A 20 5.993 -0.643 13.815 1.00 0.00 C < ATOM 303 C PRO A 20 5.458 0.658 14.400 1.00 0.00 C < ATOM 304 O PRO A 20 4.327 0.714 14.882 1.00 0.00 O < ATOM 305 CB PRO A 20 6.773 -0.401 12.519 1.00 0.00 C < ATOM 306 CG PRO A 20 5.732 -0.439 11.453 1.00 0.00 C < ATOM 307 CD PRO A 20 4.783 -1.521 11.894 1.00 0.00 C < ATOM 308 HA PRO A 20 6.549 -1.157 14.598 1.00 0.00 H < ATOM 309 1HB PRO A 20 7.297 0.565 12.570 1.00 0.00 H < ATOM 310 2HB PRO A 20 7.542 -1.178 12.392 1.00 0.00 H < ATOM 311 1HG PRO A 20 5.244 0.543 11.364 1.00 0.00 H < ATOM 312 2HG PRO A 20 6.194 -0.652 10.478 1.00 0.00 H < ATOM 313 1HD PRO A 20 3.762 -1.266 11.574 1.00 0.00 H < ATOM 314 2HD PRO A 20 5.097 -2.483 11.463 1.00 0.00 H < HETATM 315 CM1 TBS A 21 2.250 0.114 1.857 1.00 0.00 C < HETATM 316 C1 TBS A 21 1.088 0.127 0.898 1.00 0.00 C < HETATM 317 C2 TBS A 21 -0.231 0.120 1.376 1.00 0.00 C < HETATM 318 H1 TBS A 21 1.982 0.665 2.767 1.00 0.00 H < HETATM 319 H2 TBS A 21 2.468 -0.917 2.158 1.00 0.00 H < HETATM 320 H3 TBS A 21 -0.412 0.094 2.450 1.00 0.00 H --- > ATOM 1 N PRO A 1 9.227 1.722 -12.765 1.00 0.00 N > ATOM 2 CA PRO A 1 9.777 3.071 -12.711 1.00 0.00 C > ATOM 3 C PRO A 1 8.886 3.998 -11.895 1.00 0.00 C > ATOM 4 O PRO A 1 9.254 5.138 -11.611 1.00 0.00 O > ATOM 5 CB PRO A 1 9.822 3.484 -14.186 1.00 0.00 C > ATOM 6 CG PRO A 1 9.834 2.191 -14.928 1.00 0.00 C > ATOM 7 CD PRO A 1 8.935 1.290 -14.123 1.00 0.00 C > ATOM 8 HA PRO A 1 10.748 3.021 -12.218 1.00 0.00 H > ATOM 9 1HB PRO A 1 8.948 4.107 -14.428 1.00 0.00 H > ATOM 10 2HB PRO A 1 10.716 4.095 -14.379 1.00 0.00 H > ATOM 11 1HG PRO A 1 9.473 2.340 -15.956 1.00 0.00 H > ATOM 12 2HG PRO A 1 10.861 1.807 -15.004 1.00 0.00 H > ATOM 13 1HD PRO A 1 7.887 1.471 -14.404 1.00 0.00 H > ATOM 14 2HD PRO A 1 9.210 0.240 -14.306 1.00 0.00 H > ATOM 15 N ILE A 2 7.670 3.434 -11.527 1.00 0.00 N > ATOM 16 CA ILE A 2 6.715 4.283 -10.825 1.00 0.00 C > ATOM 17 C ILE A 2 7.232 4.672 -9.446 1.00 0.00 C > ATOM 18 O ILE A 2 7.525 3.810 -8.617 1.00 0.00 O > ATOM 19 CB ILE A 2 5.353 3.578 -10.684 1.00 0.00 C > ATOM 20 CG1 ILE A 2 4.822 3.163 -12.058 1.00 0.00 C > ATOM 21 CG2 ILE A 2 4.357 4.483 -9.976 1.00 0.00 C > ATOM 22 CD1 ILE A 2 4.607 4.321 -13.006 1.00 0.00 C > ATOM 23 H ILE A 2 7.423 2.474 -11.722 1.00 0.00 H > ATOM 24 HA ILE A 2 6.586 5.198 -11.404 1.00 0.00 H > ATOM 25 HB ILE A 2 5.476 2.664 -10.103 1.00 0.00 H > ATOM 26 1HG1 ILE A 2 5.519 2.466 -12.522 1.00 0.00 H > ATOM 27 2HG1 ILE A 2 3.872 2.641 -11.938 1.00 0.00 H > ATOM 28 1HG2 ILE A 2 3.400 3.970 -9.885 1.00 0.00 H > ATOM 29 2HG2 ILE A 2 4.732 4.731 -8.983 1.00 0.00 H > ATOM 30 3HG2 ILE A 2 4.224 5.399 -10.552 1.00 0.00 H > ATOM 31 1HD1 ILE A 2 4.229 3.947 -13.958 1.00 0.00 H > ATOM 32 2HD1 ILE A 2 3.884 5.014 -12.575 1.00 0.00 H > ATOM 33 3HD1 ILE A 2 5.552 4.837 -13.169 1.00 0.00 H > ATOM 34 N PRO A 3 7.377 5.956 -9.110 1.00 0.00 N > ATOM 35 CA PRO A 3 7.892 6.404 -7.822 1.00 0.00 C > ATOM 36 C PRO A 3 7.069 5.837 -6.672 1.00 0.00 C > ATOM 37 O PRO A 3 7.617 5.417 -5.653 1.00 0.00 O > ATOM 38 CB PRO A 3 7.763 7.928 -7.910 1.00 0.00 C > ATOM 39 CG PRO A 3 7.877 8.221 -9.368 1.00 0.00 C > ATOM 40 CD PRO A 3 7.137 7.093 -10.035 1.00 0.00 C > ATOM 41 HA PRO A 3 8.912 6.034 -7.717 1.00 0.00 H > ATOM 42 1HB PRO A 3 6.801 8.250 -7.485 1.00 0.00 H > ATOM 43 2HB PRO A 3 8.554 8.408 -7.316 1.00 0.00 H > ATOM 44 1HG PRO A 3 7.441 9.205 -9.593 1.00 0.00 H > ATOM 45 2HG PRO A 3 8.935 8.267 -9.664 1.00 0.00 H > ATOM 46 1HD PRO A 3 6.068 7.344 -10.103 1.00 0.00 H > ATOM 47 2HD PRO A 3 7.559 6.918 -11.036 1.00 0.00 H > ATOM 48 N ASP A 4 5.731 5.818 -6.827 1.00 0.00 N > ATOM 49 CA ASP A 4 4.755 5.332 -5.859 1.00 0.00 C > ATOM 50 C ASP A 4 4.984 3.861 -5.538 1.00 0.00 C > ATOM 51 O ASP A 4 4.896 3.447 -4.382 1.00 0.00 O > ATOM 52 CB ASP A 4 3.332 5.530 -6.387 1.00 0.00 C > ATOM 53 CG ASP A 4 2.880 6.983 -6.343 1.00 0.00 C > ATOM 54 OD1 ASP A 4 3.566 7.780 -5.747 1.00 0.00 O > ATOM 55 OD2 ASP A 4 1.854 7.283 -6.905 1.00 0.00 O > ATOM 56 H ASP A 4 5.330 6.169 -7.685 1.00 0.00 H > ATOM 57 HA ASP A 4 4.881 5.899 -4.936 1.00 0.00 H > ATOM 58 1HB ASP A 4 3.273 5.177 -7.417 1.00 0.00 H > ATOM 59 2HB ASP A 4 2.638 4.931 -5.796 1.00 0.00 H > ATOM 60 N ALA A 5 5.288 3.109 -6.675 1.00 0.00 N > ATOM 61 CA ALA A 5 5.507 1.675 -6.533 1.00 0.00 C > ATOM 62 C ALA A 5 6.784 1.387 -5.754 1.00 0.00 C > ATOM 63 O ALA A 5 6.847 0.437 -4.975 1.00 0.00 O > ATOM 64 CB ALA A 5 5.561 1.009 -7.901 1.00 0.00 C > ATOM 65 H ALA A 5 5.349 3.573 -7.570 1.00 0.00 H > ATOM 66 HA ALA A 5 4.672 1.258 -5.970 1.00 0.00 H > ATOM 67 1HB ALA A 5 5.725 -0.061 -7.778 1.00 0.00 H > ATOM 68 2HB ALA A 5 4.618 1.174 -8.423 1.00 0.00 H > ATOM 69 3HB ALA A 5 6.376 1.437 -8.481 1.00 0.00 H > ATOM 70 N ARG A 6 7.851 2.202 -5.940 1.00 0.00 N > ATOM 71 CA ARG A 6 9.077 1.992 -5.180 1.00 0.00 C > ATOM 72 C ARG A 6 8.848 2.218 -3.691 1.00 0.00 C > ATOM 73 O ARG A 6 9.338 1.459 -2.855 1.00 0.00 O > ATOM 74 CB ARG A 6 10.176 2.923 -5.668 1.00 0.00 C > ATOM 75 CG ARG A 6 10.734 2.588 -7.043 1.00 0.00 C > ATOM 76 CD ARG A 6 12.002 3.313 -7.312 1.00 0.00 C > ATOM 77 NE ARG A 6 11.793 4.748 -7.426 1.00 0.00 N > ATOM 78 CZ ARG A 6 11.445 5.383 -8.561 1.00 0.00 C > ATOM 79 NH1 ARG A 6 11.270 4.699 -9.670 1.00 0.00 N > ATOM 80 NH2 ARG A 6 11.279 6.694 -8.561 1.00 0.00 N > ATOM 81 H ARG A 6 7.784 2.956 -6.609 1.00 0.00 H > ATOM 82 HA ARG A 6 9.386 0.955 -5.316 1.00 0.00 H > ATOM 83 1HB ARG A 6 9.798 3.944 -5.705 1.00 0.00 H > ATOM 84 2HB ARG A 6 11.007 2.907 -4.963 1.00 0.00 H > ATOM 85 1HG ARG A 6 10.931 1.518 -7.105 1.00 0.00 H > ATOM 86 2HG ARG A 6 10.009 2.869 -7.808 1.00 0.00 H > ATOM 87 1HD ARG A 6 12.703 3.134 -6.498 1.00 0.00 H > ATOM 88 2HD ARG A 6 12.433 2.957 -8.247 1.00 0.00 H > ATOM 89 HE ARG A 6 11.919 5.308 -6.593 1.00 0.00 H > ATOM 90 1HH1 ARG A 6 11.397 3.696 -9.670 1.00 0.00 H > ATOM 91 2HH1 ARG A 6 11.009 5.175 -10.521 1.00 0.00 H > ATOM 92 1HH2 ARG A 6 11.413 7.220 -7.708 1.00 0.00 H > ATOM 93 2HH2 ARG A 6 11.018 7.170 -9.412 1.00 0.00 H > ATOM 94 N ARG A 7 8.110 3.249 -3.280 1.00 0.00 N > ATOM 95 CA ARG A 7 7.690 3.544 -1.916 1.00 0.00 C > ATOM 96 C ARG A 7 6.747 2.472 -1.386 1.00 0.00 C > ATOM 97 O ARG A 7 6.829 2.078 -0.222 1.00 0.00 O > ATOM 98 CB ARG A 7 7.001 4.899 -1.848 1.00 0.00 C > ATOM 99 CG ARG A 7 6.604 5.346 -0.450 1.00 0.00 C > ATOM 100 CD ARG A 7 6.045 6.722 -0.452 1.00 0.00 C > ATOM 101 NE ARG A 7 5.663 7.154 0.883 1.00 0.00 N > ATOM 102 CZ ARG A 7 5.074 8.332 1.167 1.00 0.00 C > ATOM 103 NH1 ARG A 7 4.807 9.183 0.201 1.00 0.00 N > ATOM 104 NH2 ARG A 7 4.764 8.632 2.416 1.00 0.00 N > ATOM 105 H ARG A 7 7.786 3.924 -3.959 1.00 0.00 H > ATOM 106 HA ARG A 7 8.577 3.551 -1.282 1.00 0.00 H > ATOM 107 1HB ARG A 7 7.658 5.662 -2.264 1.00 0.00 H > ATOM 108 2HB ARG A 7 6.098 4.879 -2.457 1.00 0.00 H > ATOM 109 1HG ARG A 7 5.848 4.669 -0.053 1.00 0.00 H > ATOM 110 2HG ARG A 7 7.480 5.333 0.199 1.00 0.00 H > ATOM 111 1HD ARG A 7 6.792 7.418 -0.834 1.00 0.00 H > ATOM 112 2HD ARG A 7 5.161 6.755 -1.087 1.00 0.00 H > ATOM 113 HE ARG A 7 5.852 6.525 1.652 1.00 0.00 H > ATOM 114 1HH1 ARG A 7 5.044 8.954 -0.754 1.00 0.00 H > ATOM 115 2HH1 ARG A 7 4.366 10.066 0.414 1.00 0.00 H > ATOM 116 1HH2 ARG A 7 4.969 7.977 3.159 1.00 0.00 H > ATOM 117 2HH2 ARG A 7 4.323 9.514 2.629 1.00 0.00 H > ATOM 118 N ALA A 8 5.843 2.032 -2.334 1.00 0.00 N > ATOM 119 CA ALA A 8 4.854 1.003 -2.038 1.00 0.00 C > ATOM 120 C ALA A 8 5.521 -0.286 -1.576 1.00 0.00 C > ATOM 121 O ALA A 8 5.152 -0.853 -0.547 1.00 0.00 O > ATOM 122 CB ALA A 8 3.982 0.739 -3.257 1.00 0.00 C > ATOM 123 H ALA A 8 5.868 2.433 -3.261 1.00 0.00 H > ATOM 124 HA ALA A 8 4.224 1.363 -1.225 1.00 0.00 H > ATOM 125 1HB ALA A 8 3.248 -0.031 -3.020 1.00 0.00 H > ATOM 126 2HB ALA A 8 3.466 1.657 -3.540 1.00 0.00 H > ATOM 127 3HB ALA A 8 4.605 0.404 -4.084 1.00 0.00 H > ATOM 128 N ILE A 9 6.540 -0.747 -2.386 1.00 0.00 N > ATOM 129 CA ILE A 9 7.244 -1.956 -1.977 1.00 0.00 C > ATOM 130 C ILE A 9 7.831 -1.806 -0.579 1.00 0.00 C > ATOM 131 O ILE A 9 7.789 -2.737 0.225 1.00 0.00 O > ATOM 132 CB ILE A 9 8.367 -2.301 -2.971 1.00 0.00 C > ATOM 133 CG1 ILE A 9 7.775 -2.729 -4.317 1.00 0.00 C > ATOM 134 CG2 ILE A 9 9.260 -3.395 -2.407 1.00 0.00 C > ATOM 135 CD1 ILE A 9 8.789 -2.794 -5.437 1.00 0.00 C > ATOM 136 H ILE A 9 6.766 -0.238 -3.229 1.00 0.00 H > ATOM 137 HA ILE A 9 6.524 -2.774 -1.950 1.00 0.00 H > ATOM 138 HB ILE A 9 8.970 -1.414 -3.161 1.00 0.00 H > ATOM 139 1HG1 ILE A 9 7.315 -3.711 -4.216 1.00 0.00 H > ATOM 140 2HG1 ILE A 9 6.991 -2.030 -4.609 1.00 0.00 H > ATOM 141 1HG2 ILE A 9 10.048 -3.627 -3.123 1.00 0.00 H > ATOM 142 2HG2 ILE A 9 9.707 -3.054 -1.474 1.00 0.00 H > ATOM 143 3HG2 ILE A 9 8.666 -4.289 -2.219 1.00 0.00 H > ATOM 144 1HD1 ILE A 9 8.295 -3.104 -6.358 1.00 0.00 H > ATOM 145 2HD1 ILE A 9 9.238 -1.810 -5.579 1.00 0.00 H > ATOM 146 3HD1 ILE A 9 9.566 -3.514 -5.183 1.00 0.00 H > ATOM 147 N ARG A 10 8.402 -0.667 -0.194 1.00 0.00 N > ATOM 148 CA ARG A 10 9.044 -0.439 1.095 1.00 0.00 C > ATOM 149 C ARG A 10 8.037 -0.520 2.234 1.00 0.00 C > ATOM 150 O ARG A 10 8.311 -1.115 3.277 1.00 0.00 O > ATOM 151 CB ARG A 10 9.727 0.920 1.120 1.00 0.00 C > ATOM 152 CG ARG A 10 10.957 1.035 0.234 1.00 0.00 C > ATOM 153 CD ARG A 10 11.512 2.413 0.240 1.00 0.00 C > ATOM 154 NE ARG A 10 12.689 2.527 -0.605 1.00 0.00 N > ATOM 155 CZ ARG A 10 13.312 3.686 -0.897 1.00 0.00 C > ATOM 156 NH1 ARG A 10 12.859 4.818 -0.404 1.00 0.00 N > ATOM 157 NH2 ARG A 10 14.379 3.685 -1.677 1.00 0.00 N > ATOM 158 H ARG A 10 8.404 0.121 -0.827 1.00 0.00 H > ATOM 159 HA ARG A 10 9.785 -1.225 1.247 1.00 0.00 H > ATOM 160 1HB ARG A 10 9.021 1.687 0.806 1.00 0.00 H > ATOM 161 2HB ARG A 10 10.033 1.155 2.140 1.00 0.00 H > ATOM 162 1HG ARG A 10 11.728 0.353 0.591 1.00 0.00 H > ATOM 163 2HG ARG A 10 10.691 0.777 -0.792 1.00 0.00 H > ATOM 164 1HD ARG A 10 10.759 3.110 -0.127 1.00 0.00 H > ATOM 165 2HD ARG A 10 11.794 2.686 1.256 1.00 0.00 H > ATOM 166 HE ARG A 10 13.067 1.678 -1.002 1.00 0.00 H > ATOM 167 1HH1 ARG A 10 12.044 4.819 0.192 1.00 0.00 H > ATOM 168 2HH1 ARG A 10 13.326 5.686 -0.623 1.00 0.00 H > ATOM 169 1HH2 ARG A 10 14.727 2.814 -2.056 1.00 0.00 H > ATOM 170 2HH2 ARG A 10 14.845 4.553 -1.895 1.00 0.00 H > ATOM 171 N CYX A 11 6.850 0.100 2.012 1.00 0.00 N > ATOM 172 CA CYX A 11 5.789 0.265 2.999 1.00 0.00 C > ATOM 173 C CYX A 11 5.030 -1.037 3.215 1.00 0.00 C > ATOM 174 O CYX A 11 4.530 -1.301 4.309 1.00 0.00 O > ATOM 175 CB CYX A 11 4.810 1.353 2.557 1.00 0.00 C > ATOM 176 SG CYX A 11 3.749 0.874 1.172 1.00 0.00 S > ATOM 177 H CYX A 11 6.717 0.466 1.080 1.00 0.00 H > ATOM 178 HA CYX A 11 6.240 0.567 3.944 1.00 0.00 H > ATOM 179 1HB CYX A 11 4.167 1.626 3.395 1.00 0.00 H > ATOM 180 2HB CYX A 11 5.363 2.245 2.265 1.00 0.00 H > ATOM 181 N VAL A 12 4.986 -1.837 2.071 1.00 0.00 N > ATOM 182 CA VAL A 12 4.410 -3.171 2.189 1.00 0.00 C > ATOM 183 C VAL A 12 5.288 -4.076 3.043 1.00 0.00 C > ATOM 184 O VAL A 12 4.789 -4.924 3.783 1.00 0.00 O > ATOM 185 CB VAL A 12 4.232 -3.801 0.795 1.00 0.00 C > ATOM 186 CG1 VAL A 12 3.937 -5.289 0.917 1.00 0.00 C > ATOM 187 CG2 VAL A 12 3.117 -3.090 0.044 1.00 0.00 C > ATOM 188 H VAL A 12 5.333 -1.528 1.174 1.00 0.00 H > ATOM 189 HA VAL A 12 3.443 -3.080 2.684 1.00 0.00 H > ATOM 190 HB VAL A 12 5.165 -3.703 0.240 1.00 0.00 H > ATOM 191 1HG1 VAL A 12 3.814 -5.718 -0.078 1.00 0.00 H > ATOM 192 2HG1 VAL A 12 4.764 -5.784 1.425 1.00 0.00 H > ATOM 193 3HG1 VAL A 12 3.020 -5.432 1.489 1.00 0.00 H > ATOM 194 1HG2 VAL A 12 2.997 -3.540 -0.941 1.00 0.00 H > ATOM 195 2HG2 VAL A 12 2.185 -3.183 0.602 1.00 0.00 H > ATOM 196 3HG2 VAL A 12 3.369 -2.035 -0.068 1.00 0.00 H > ATOM 197 N ASP A 13 6.626 -3.949 2.990 1.00 0.00 N > ATOM 198 CA ASP A 13 7.504 -4.684 3.891 1.00 0.00 C > ATOM 199 C ASP A 13 7.187 -4.371 5.348 1.00 0.00 C > ATOM 200 O ASP A 13 7.216 -5.255 6.204 1.00 0.00 O > ATOM 201 CB ASP A 13 8.970 -4.353 3.600 1.00 0.00 C > ATOM 202 CG ASP A 13 9.455 -4.924 2.274 1.00 0.00 C > ATOM 203 OD1 ASP A 13 8.781 -5.768 1.732 1.00 0.00 O > ATOM 204 OD2 ASP A 13 10.493 -4.511 1.817 1.00 0.00 O > ATOM 205 H ASP A 13 7.034 -3.327 2.307 1.00 0.00 H > ATOM 206 HA ASP A 13 7.336 -5.750 3.734 1.00 0.00 H > ATOM 207 1HB ASP A 13 9.103 -3.271 3.583 1.00 0.00 H > ATOM 208 2HB ASP A 13 9.598 -4.747 4.400 1.00 0.00 H > ATOM 209 N LEU A 14 6.874 -3.114 5.683 1.00 0.00 N > ATOM 210 CA LEU A 14 6.542 -2.614 7.012 1.00 0.00 C > ATOM 211 C LEU A 14 5.229 -3.204 7.511 1.00 0.00 C > ATOM 212 O LEU A 14 5.071 -3.472 8.702 1.00 0.00 O > ATOM 213 CB LEU A 14 6.448 -1.083 6.994 1.00 0.00 C > ATOM 214 CG LEU A 14 7.773 -0.338 6.789 1.00 0.00 C > ATOM 215 CD1 LEU A 14 7.501 1.153 6.645 1.00 0.00 C > ATOM 216 CD2 LEU A 14 8.698 -0.613 7.966 1.00 0.00 C > ATOM 217 H LEU A 14 6.854 -2.404 4.966 1.00 0.00 H > ATOM 218 HA LEU A 14 7.330 -2.926 7.698 1.00 0.00 H > ATOM 219 1HB LEU A 14 5.774 -0.786 6.192 1.00 0.00 H > ATOM 220 2HB LEU A 14 6.023 -0.750 7.940 1.00 0.00 H > ATOM 221 HG LEU A 14 8.246 -0.681 5.869 1.00 0.00 H > ATOM 222 1HD1 LEU A 14 8.442 1.683 6.499 1.00 0.00 H > ATOM 223 2HD1 LEU A 14 6.853 1.323 5.784 1.00 0.00 H > ATOM 224 3HD1 LEU A 14 7.012 1.523 7.545 1.00 0.00 H > ATOM 225 1HD2 LEU A 14 9.640 -0.083 7.821 1.00 0.00 H > ATOM 226 2HD2 LEU A 14 8.227 -0.268 8.887 1.00 0.00 H > ATOM 227 3HD2 LEU A 14 8.890 -1.683 8.036 1.00 0.00 H > ATOM 228 N VAL A 15 4.304 -3.380 6.487 1.00 0.00 N > ATOM 229 CA VAL A 15 3.031 -4.039 6.749 1.00 0.00 C > ATOM 230 C VAL A 15 3.238 -5.479 7.200 1.00 0.00 C > ATOM 231 O VAL A 15 2.595 -5.944 8.142 1.00 0.00 O > ATOM 232 CB VAL A 15 2.151 -4.022 5.485 1.00 0.00 C > ATOM 233 CG1 VAL A 15 0.951 -4.942 5.659 1.00 0.00 C > ATOM 234 CG2 VAL A 15 1.702 -2.600 5.186 1.00 0.00 C > ATOM 235 H VAL A 15 4.526 -3.045 5.561 1.00 0.00 H > ATOM 236 HA VAL A 15 2.532 -3.504 7.558 1.00 0.00 H > ATOM 237 HB VAL A 15 2.730 -4.406 4.645 1.00 0.00 H > ATOM 238 1HG1 VAL A 15 0.340 -4.918 4.757 1.00 0.00 H > ATOM 239 2HG1 VAL A 15 1.296 -5.960 5.837 1.00 0.00 H > ATOM 240 3HG1 VAL A 15 0.356 -4.606 6.508 1.00 0.00 H > ATOM 241 1HG2 VAL A 15 1.081 -2.596 4.291 1.00 0.00 H > ATOM 242 2HG2 VAL A 15 1.127 -2.215 6.029 1.00 0.00 H > ATOM 243 3HG2 VAL A 15 2.576 -1.969 5.024 1.00 0.00 H > ATOM 244 N ARG A 16 4.166 -6.213 6.511 1.00 0.00 N > ATOM 245 CA ARG A 16 4.421 -7.587 6.926 1.00 0.00 C > ATOM 246 C ARG A 16 5.093 -7.634 8.292 1.00 0.00 C > ATOM 247 O ARG A 16 4.818 -8.521 9.100 1.00 0.00 O > ATOM 248 CB ARG A 16 5.299 -8.300 5.908 1.00 0.00 C > ATOM 249 CG ARG A 16 4.652 -8.521 4.549 1.00 0.00 C > ATOM 250 CD ARG A 16 5.388 -9.533 3.749 1.00 0.00 C > ATOM 251 NE ARG A 16 6.815 -9.254 3.701 1.00 0.00 N > ATOM 252 CZ ARG A 16 7.397 -8.391 2.846 1.00 0.00 C > ATOM 253 NH1 ARG A 16 6.665 -7.732 1.976 1.00 0.00 N > ATOM 254 NH2 ARG A 16 8.706 -8.207 2.883 1.00 0.00 N > ATOM 255 H ARG A 16 4.650 -5.788 5.733 1.00 0.00 H > ATOM 256 HA ARG A 16 3.463 -8.100 7.007 1.00 0.00 H > ATOM 257 1HB ARG A 16 6.211 -7.726 5.749 1.00 0.00 H > ATOM 258 2HB ARG A 16 5.589 -9.276 6.297 1.00 0.00 H > ATOM 259 1HG ARG A 16 3.629 -8.871 4.686 1.00 0.00 H > ATOM 260 2HG ARG A 16 4.644 -7.583 3.993 1.00 0.00 H > ATOM 261 1HD ARG A 16 5.248 -10.519 4.191 1.00 0.00 H > ATOM 262 2HD ARG A 16 5.008 -9.536 2.728 1.00 0.00 H > ATOM 263 HE ARG A 16 7.411 -9.742 4.356 1.00 0.00 H > ATOM 264 1HH1 ARG A 16 5.665 -7.873 1.948 1.00 0.00 H > ATOM 265 2HH1 ARG A 16 7.101 -7.086 1.335 1.00 0.00 H > ATOM 266 1HH2 ARG A 16 9.269 -8.713 3.552 1.00 0.00 H > ATOM 267 2HH2 ARG A 16 9.142 -7.560 2.242 1.00 0.00 H > ATOM 268 N ASP A 17 5.991 -6.717 8.641 1.00 0.00 N > ATOM 269 CA ASP A 17 6.641 -6.592 9.941 1.00 0.00 C > ATOM 270 C ASP A 17 5.644 -6.185 11.018 1.00 0.00 C > ATOM 271 O ASP A 17 4.606 -5.591 10.725 1.00 0.00 O > ATOM 272 CB ASP A 17 7.777 -5.568 9.876 1.00 0.00 C > ATOM 273 CG ASP A 17 8.985 -6.072 9.097 1.00 0.00 C > ATOM 274 OD1 ASP A 17 9.035 -7.244 8.810 1.00 0.00 O > ATOM 275 OD2 ASP A 17 9.845 -5.279 8.797 1.00 0.00 O > ATOM 276 H ASP A 17 6.275 -6.024 7.964 1.00 0.00 H > ATOM 277 HA ASP A 17 7.047 -7.566 10.212 1.00 0.00 H > ATOM 278 1HB ASP A 17 7.416 -4.653 9.406 1.00 0.00 H > ATOM 279 2HB ASP A 17 8.096 -5.313 10.887 1.00 0.00 H > ATOM 280 N PRO A 18 6.014 -6.537 12.287 1.00 0.00 N > ATOM 281 CA PRO A 18 5.256 -6.185 13.482 1.00 0.00 C > ATOM 282 C PRO A 18 4.923 -4.699 13.505 1.00 0.00 C > ATOM 283 O PRO A 18 5.816 -3.853 13.482 1.00 0.00 O > ATOM 284 CB PRO A 18 6.207 -6.569 14.620 1.00 0.00 C > ATOM 285 CG PRO A 18 7.002 -7.701 14.065 1.00 0.00 C > ATOM 286 CD PRO A 18 7.239 -7.324 12.627 1.00 0.00 C > ATOM 287 HA PRO A 18 4.316 -6.738 13.461 1.00 0.00 H > ATOM 288 1HB PRO A 18 6.829 -5.705 14.897 1.00 0.00 H > ATOM 289 2HB PRO A 18 5.630 -6.850 15.513 1.00 0.00 H > ATOM 290 1HG PRO A 18 7.938 -7.821 14.631 1.00 0.00 H > ATOM 291 2HG PRO A 18 6.445 -8.644 14.170 1.00 0.00 H > ATOM 292 1HD PRO A 18 8.149 -6.712 12.553 1.00 0.00 H > ATOM 293 2HD PRO A 18 7.333 -8.236 12.019 1.00 0.00 H > ATOM 294 N ASP A 19 3.558 -4.430 13.552 1.00 0.00 N > ATOM 295 CA ASP A 19 3.141 -3.034 13.498 1.00 0.00 C > ATOM 296 C ASP A 19 4.234 -2.112 14.024 1.00 0.00 C > ATOM 297 O ASP A 19 4.441 -2.004 15.232 1.00 0.00 O > ATOM 298 CB ASP A 19 1.858 -2.826 14.307 1.00 0.00 C > ATOM 299 CG ASP A 19 1.283 -1.424 14.156 1.00 0.00 C > ATOM 300 OD1 ASP A 19 1.919 -0.606 13.534 1.00 0.00 O > ATOM 301 OD2 ASP A 19 0.214 -1.185 14.663 1.00 0.00 O > ATOM 302 H ASP A 19 2.907 -5.199 13.620 1.00 0.00 H > ATOM 303 HA ASP A 19 2.958 -2.775 12.456 1.00 0.00 H > ATOM 304 1HB ASP A 19 1.106 -3.548 13.988 1.00 0.00 H > ATOM 305 2HB ASP A 19 2.060 -3.009 15.363 1.00 0.00 H > ATOM 306 N PRO A 20 4.989 -1.404 13.178 1.00 0.00 N > ATOM 307 CA PRO A 20 6.062 -0.515 13.609 1.00 0.00 C > ATOM 308 C PRO A 20 5.513 0.833 14.058 1.00 0.00 C > ATOM 309 O PRO A 20 4.300 1.035 14.109 1.00 0.00 O > ATOM 310 CB PRO A 20 6.926 -0.383 12.351 1.00 0.00 C > ATOM 311 CG PRO A 20 5.950 -0.457 11.227 1.00 0.00 C > ATOM 312 CD PRO A 20 4.936 -1.475 11.679 1.00 0.00 C > ATOM 313 HA PRO A 20 6.559 -0.974 14.464 1.00 0.00 H > ATOM 314 1HB PRO A 20 7.480 0.567 12.373 1.00 0.00 H > ATOM 315 2HB PRO A 20 7.673 -1.190 12.322 1.00 0.00 H > ATOM 316 1HG PRO A 20 5.504 0.532 11.045 1.00 0.00 H > ATOM 317 2HG PRO A 20 6.461 -0.752 10.299 1.00 0.00 H > ATOM 318 1HD PRO A 20 3.942 -1.196 11.301 1.00 0.00 H > ATOM 319 2HD PRO A 20 5.226 -2.470 11.310 1.00 0.00 H > HETATM 320 CM1 TBS A 21 2.194 0.391 1.923 1.00 0.00 C > HETATM 321 C1 TBS A 21 1.061 0.403 0.930 1.00 0.00 C > HETATM 322 C2 TBS A 21 -0.272 0.396 1.369 1.00 0.00 C > HETATM 323 H1 TBS A 21 1.965 1.072 2.751 1.00 0.00 H > HETATM 324 H2 TBS A 21 2.297 -0.613 2.353 1.00 0.00 H > HETATM 325 H3 TBS A 21 -0.484 0.370 2.436 1.00 0.00 H 442,761c447,771 < ATOM 322 N ASP B 1 6.306 1.667 14.333 1.00 0.00 N < ATOM 323 CA ASP B 1 5.995 3.000 14.834 1.00 0.00 C < ATOM 324 C ASP B 1 5.824 3.993 13.691 1.00 0.00 C < ATOM 325 O ASP B 1 5.583 5.179 13.917 1.00 0.00 O < ATOM 326 CB ASP B 1 7.095 3.488 15.781 1.00 0.00 C < ATOM 327 CG ASP B 1 7.196 2.653 17.051 1.00 0.00 C < ATOM 328 OD1 ASP B 1 6.201 2.101 17.456 1.00 0.00 O < ATOM 329 OD2 ASP B 1 8.268 2.576 17.603 1.00 0.00 O < ATOM 330 H ASP B 1 7.209 1.497 13.913 1.00 0.00 H < ATOM 331 HA ASP B 1 5.050 2.947 15.375 1.00 0.00 H < ATOM 332 1HB ASP B 1 8.056 3.459 15.267 1.00 0.00 H < ATOM 333 2HB ASP B 1 6.903 4.524 16.059 1.00 0.00 H < ATOM 334 N VAL B 2 5.965 3.430 12.428 1.00 0.00 N < ATOM 335 CA VAL B 2 5.891 4.323 11.278 1.00 0.00 C < ATOM 336 C VAL B 2 4.450 4.715 10.977 1.00 0.00 C < ATOM 337 O VAL B 2 3.593 3.855 10.769 1.00 0.00 O < ATOM 338 CB VAL B 2 6.506 3.649 10.037 1.00 0.00 C < ATOM 339 CG1 VAL B 2 6.395 4.562 8.825 1.00 0.00 C < ATOM 340 CG2 VAL B 2 7.959 3.290 10.310 1.00 0.00 C < ATOM 341 H VAL B 2 6.115 2.443 12.275 1.00 0.00 H < ATOM 342 HA VAL B 2 6.440 5.233 11.519 1.00 0.00 H < ATOM 343 HB VAL B 2 5.944 2.744 9.810 1.00 0.00 H < ATOM 344 1HG1 VAL B 2 6.835 4.070 7.957 1.00 0.00 H < ATOM 345 2HG1 VAL B 2 5.345 4.777 8.626 1.00 0.00 H < ATOM 346 3HG1 VAL B 2 6.926 5.493 9.021 1.00 0.00 H < ATOM 347 1HG2 VAL B 2 8.388 2.814 9.429 1.00 0.00 H < ATOM 348 2HG2 VAL B 2 8.520 4.196 10.543 1.00 0.00 H < ATOM 349 3HG2 VAL B 2 8.011 2.604 11.156 1.00 0.00 H < ATOM 350 N PRO B 3 4.088 5.999 10.932 1.00 0.00 N < ATOM 351 CA PRO B 3 2.726 6.450 10.672 1.00 0.00 C < ATOM 352 C PRO B 3 2.187 5.856 9.377 1.00 0.00 C < ATOM 353 O PRO B 3 1.034 5.427 9.312 1.00 0.00 O < ATOM 354 CB PRO B 3 2.879 7.971 10.574 1.00 0.00 C < ATOM 355 CG PRO B 3 4.038 8.279 11.459 1.00 0.00 C < ATOM 356 CD PRO B 3 4.996 7.141 11.230 1.00 0.00 C < ATOM 357 HA PRO B 3 2.092 6.102 11.488 1.00 0.00 H < ATOM 358 1HB PRO B 3 3.049 8.266 9.528 1.00 0.00 H < ATOM 359 2HB PRO B 3 1.951 8.464 10.900 1.00 0.00 H < ATOM 360 1HG PRO B 3 4.470 9.256 11.193 1.00 0.00 H < ATOM 361 2HG PRO B 3 3.709 8.352 12.506 1.00 0.00 H < ATOM 362 1HD PRO B 3 5.648 7.375 10.375 1.00 0.00 H < ATOM 363 2HD PRO B 3 5.594 6.975 12.139 1.00 0.00 H < ATOM 364 N ASP B 4 3.024 5.823 8.322 1.00 0.00 N < ATOM 365 CA ASP B 4 2.721 5.305 6.993 1.00 0.00 C < ATOM 366 C ASP B 4 2.340 3.832 7.049 1.00 0.00 C < ATOM 367 O ASP B 4 1.406 3.396 6.376 1.00 0.00 O < ATOM 368 CB ASP B 4 3.919 5.493 6.059 1.00 0.00 C < ATOM 369 CG ASP B 4 4.108 6.939 5.621 1.00 0.00 C < ATOM 370 OD1 ASP B 4 3.223 7.729 5.850 1.00 0.00 O < ATOM 371 OD2 ASP B 4 5.136 7.240 5.062 1.00 0.00 O < ATOM 372 H ASP B 4 3.961 6.185 8.426 1.00 0.00 H < ATOM 373 HA ASP B 4 1.866 5.857 6.601 1.00 0.00 H < ATOM 374 1HB ASP B 4 4.828 5.158 6.560 1.00 0.00 H < ATOM 375 2HB ASP B 4 3.788 4.874 5.170 1.00 0.00 H < ATOM 376 N ALA B 5 3.155 3.105 7.920 1.00 0.00 N < ATOM 377 CA ALA B 5 2.926 1.672 8.069 1.00 0.00 C < ATOM 378 C ALA B 5 1.595 1.395 8.756 1.00 0.00 C < ATOM 379 O ALA B 5 0.888 0.452 8.403 1.00 0.00 O < ATOM 380 CB ALA B 5 4.066 1.031 8.846 1.00 0.00 C < ATOM 381 H ALA B 5 3.884 3.585 8.428 1.00 0.00 H < ATOM 382 HA ALA B 5 2.885 1.231 7.073 1.00 0.00 H < ATOM 383 1HB ALA B 5 3.881 -0.038 8.948 1.00 0.00 H < ATOM 384 2HB ALA B 5 5.004 1.187 8.312 1.00 0.00 H < ATOM 385 3HB ALA B 5 4.132 1.484 9.834 1.00 0.00 H < ATOM 386 N ARG B 6 1.208 2.212 9.765 1.00 0.00 N < ATOM 387 CA ARG B 6 -0.070 1.998 10.434 1.00 0.00 C < ATOM 388 C ARG B 6 -1.235 2.218 9.478 1.00 0.00 C < ATOM 389 O ARG B 6 -2.202 1.456 9.478 1.00 0.00 O < ATOM 390 CB ARG B 6 -0.213 2.932 11.627 1.00 0.00 C < ATOM 391 CG ARG B 6 0.696 2.611 12.803 1.00 0.00 C < ATOM 392 CD ARG B 6 0.292 3.350 14.027 1.00 0.00 C < ATOM 393 NE ARG B 6 0.482 4.784 13.882 1.00 0.00 N < ATOM 394 CZ ARG B 6 1.637 5.432 14.127 1.00 0.00 C < ATOM 395 NH1 ARG B 6 2.695 4.761 14.527 1.00 0.00 N < ATOM 396 NH2 ARG B 6 1.708 6.741 13.965 1.00 0.00 N < ATOM 397 H ARG B 6 1.815 2.969 10.047 1.00 0.00 H < ATOM 398 HA ARG B 6 -0.106 0.962 10.772 1.00 0.00 H < ATOM 399 1HB ARG B 6 -0.002 3.954 11.316 1.00 0.00 H < ATOM 400 2HB ARG B 6 -1.241 2.905 11.988 1.00 0.00 H < ATOM 401 1HG ARG B 6 0.652 1.543 13.017 1.00 0.00 H < ATOM 402 2HG ARG B 6 1.721 2.890 12.557 1.00 0.00 H < ATOM 403 1HD ARG B 6 -0.761 3.164 14.232 1.00 0.00 H < ATOM 404 2HD ARG B 6 0.892 3.010 14.871 1.00 0.00 H < ATOM 405 HE ARG B 6 -0.310 5.334 13.576 1.00 0.00 H < ATOM 406 1HH1 ARG B 6 2.641 3.760 14.651 1.00 0.00 H < ATOM 407 2HH1 ARG B 6 3.561 5.246 14.710 1.00 0.00 H < ATOM 408 1HH2 ARG B 6 0.895 7.257 13.657 1.00 0.00 H < ATOM 409 2HH2 ARG B 6 2.573 7.227 14.148 1.00 0.00 H < ATOM 410 N ARG B 7 -1.215 3.245 8.630 1.00 0.00 N < ATOM 411 CA ARG B 7 -2.179 3.536 7.575 1.00 0.00 C < ATOM 412 C ARG B 7 -2.155 2.461 6.495 1.00 0.00 C < ATOM 413 O ARG B 7 -3.198 2.070 5.972 1.00 0.00 O < ATOM 414 CB ARG B 7 -1.891 4.890 6.945 1.00 0.00 C < ATOM 415 CG ARG B 7 -2.910 5.344 5.911 1.00 0.00 C < ATOM 416 CD ARG B 7 -2.639 6.728 5.445 1.00 0.00 C < ATOM 417 NE ARG B 7 -3.620 7.172 4.467 1.00 0.00 N < ATOM 418 CZ ARG B 7 -3.600 8.373 3.855 1.00 0.00 C < ATOM 419 NH1 ARG B 7 -2.647 9.235 4.130 1.00 0.00 N < ATOM 420 NH2 ARG B 7 -4.539 8.682 2.978 1.00 0.00 N < ATOM 421 H ARG B 7 -0.466 3.920 8.691 1.00 0.00 H < ATOM 422 HA ARG B 7 -3.175 3.541 8.018 1.00 0.00 H < ATOM 423 1HB ARG B 7 -1.849 5.651 7.723 1.00 0.00 H < ATOM 424 2HB ARG B 7 -0.916 4.865 6.458 1.00 0.00 H < ATOM 425 1HG ARG B 7 -2.874 4.679 5.048 1.00 0.00 H < ATOM 426 2HG ARG B 7 -3.909 5.318 6.348 1.00 0.00 H < ATOM 427 1HD ARG B 7 -2.672 7.411 6.294 1.00 0.00 H < ATOM 428 2HD ARG B 7 -1.654 6.771 4.983 1.00 0.00 H < ATOM 429 HE ARG B 7 -4.368 6.535 4.229 1.00 0.00 H < ATOM 430 1HH1 ARG B 7 -1.930 8.999 4.800 1.00 0.00 H < ATOM 431 2HH1 ARG B 7 -2.633 10.135 3.672 1.00 0.00 H < ATOM 432 1HH2 ARG B 7 -5.272 8.019 2.767 1.00 0.00 H < ATOM 433 2HH2 ARG B 7 -4.525 9.581 2.520 1.00 0.00 H < ATOM 434 N ALA B 8 -0.879 2.017 6.206 1.00 0.00 N < ATOM 435 CA ALA B 8 -0.632 0.974 5.217 1.00 0.00 C < ATOM 436 C ALA B 8 -1.395 -0.300 5.557 1.00 0.00 C < ATOM 437 O ALA B 8 -2.119 -0.842 4.723 1.00 0.00 O < ATOM 438 CB ALA B 8 0.859 0.685 5.114 1.00 0.00 C < ATOM 439 H ALA B 8 -0.093 2.425 6.692 1.00 0.00 H < ATOM 440 HA ALA B 8 -0.990 1.330 4.252 1.00 0.00 H < ATOM 441 1HB ALA B 8 1.028 -0.096 4.372 1.00 0.00 H < ATOM 442 2HB ALA B 8 1.385 1.591 4.813 1.00 0.00 H < ATOM 443 3HB ALA B 8 1.233 0.353 6.081 1.00 0.00 H < ATOM 444 N ILE B 9 -1.209 -0.774 6.841 1.00 0.00 N < ATOM 445 CA ILE B 9 -1.935 -1.975 7.236 1.00 0.00 C < ATOM 446 C ILE B 9 -3.436 -1.801 7.044 1.00 0.00 C < ATOM 447 O ILE B 9 -4.124 -2.716 6.592 1.00 0.00 O < ATOM 448 CB ILE B 9 -1.643 -2.335 8.704 1.00 0.00 C < ATOM 449 CG1 ILE B 9 -0.187 -2.777 8.867 1.00 0.00 C < ATOM 450 CG2 ILE B 9 -2.591 -3.424 9.184 1.00 0.00 C < ATOM 451 CD1 ILE B 9 0.269 -2.860 10.306 1.00 0.00 C < ATOM 452 H ILE B 9 -0.583 -0.281 7.461 1.00 0.00 H < ATOM 453 HA ILE B 9 -1.609 -2.794 6.595 1.00 0.00 H < ATOM 454 HB ILE B 9 -1.775 -1.451 9.328 1.00 0.00 H < ATOM 455 1HG1 ILE B 9 -0.051 -3.757 8.409 1.00 0.00 H < ATOM 456 2HG1 ILE B 9 0.466 -2.079 8.343 1.00 0.00 H < ATOM 457 1HG2 ILE B 9 -2.370 -3.666 10.223 1.00 0.00 H < ATOM 458 2HG2 ILE B 9 -3.619 -3.073 9.103 1.00 0.00 H < ATOM 459 3HG2 ILE B 9 -2.462 -4.314 8.568 1.00 0.00 H < ATOM 460 1HD1 ILE B 9 1.311 -3.180 10.339 1.00 0.00 H < ATOM 461 2HD1 ILE B 9 0.175 -1.880 10.774 1.00 0.00 H < ATOM 462 3HD1 ILE B 9 -0.347 -3.580 10.842 1.00 0.00 H < ATOM 463 N ARG B 10 -4.039 -0.656 7.358 1.00 0.00 N < ATOM 464 CA ARG B 10 -5.470 -0.399 7.248 1.00 0.00 C < ATOM 465 C ARG B 10 -5.938 -0.503 5.802 1.00 0.00 C < ATOM 466 O ARG B 10 -6.969 -1.112 5.516 1.00 0.00 O < ATOM 467 CB ARG B 10 -5.809 0.981 7.790 1.00 0.00 C < ATOM 468 CG ARG B 10 -5.680 1.125 9.298 1.00 0.00 C < ATOM 469 CD ARG B 10 -5.921 2.523 9.739 1.00 0.00 C < ATOM 470 NE ARG B 10 -5.808 2.664 11.182 1.00 0.00 N < ATOM 471 CZ ARG B 10 -5.819 3.840 11.839 1.00 0.00 C < ATOM 472 NH1 ARG B 10 -5.940 4.966 11.170 1.00 0.00 N < ATOM 473 NH2 ARG B 10 -5.710 3.863 13.156 1.00 0.00 N < ATOM 474 H ARG B 10 -3.484 0.114 7.703 1.00 0.00 H < ATOM 475 HA ARG B 10 -5.996 -1.160 7.825 1.00 0.00 H < ATOM 476 1HB ARG B 10 -5.157 1.723 7.331 1.00 0.00 H < ATOM 477 2HB ARG B 10 -6.835 1.236 7.522 1.00 0.00 H < ATOM 478 1HG ARG B 10 -6.408 0.480 9.790 1.00 0.00 H < ATOM 479 2HG ARG B 10 -4.674 0.838 9.606 1.00 0.00 H < ATOM 480 1HD ARG B 10 -5.190 3.183 9.274 1.00 0.00 H < ATOM 481 2HD ARG B 10 -6.925 2.829 9.445 1.00 0.00 H < ATOM 482 HE ARG B 10 -5.714 1.820 11.731 1.00 0.00 H < ATOM 483 1HH1 ARG B 10 -6.024 4.949 10.163 1.00 0.00 H < ATOM 484 2HH1 ARG B 10 -5.949 5.847 11.662 1.00 0.00 H < ATOM 485 1HH2 ARG B 10 -5.617 2.998 13.670 1.00 0.00 H < ATOM 486 2HH2 ARG B 10 -5.719 4.744 13.648 1.00 0.00 H < ATOM 487 N CYX B 11 -5.150 0.113 4.885 1.00 0.00 N < ATOM 488 CA CYX B 11 -5.466 0.265 3.470 1.00 0.00 C < ATOM 489 C CYX B 11 -5.288 -1.049 2.721 1.00 0.00 C < ATOM 490 O CYX B 11 -5.978 -1.312 1.737 1.00 0.00 O < ATOM 491 CB CYX B 11 -4.577 1.333 2.832 1.00 0.00 C < ATOM 492 SG CYX B 11 -2.845 0.843 2.655 1.00 0.00 S < ATOM 493 H CYX B 11 -4.281 0.487 5.238 1.00 0.00 H < ATOM 494 HA CYX B 11 -6.506 0.579 3.379 1.00 0.00 H < ATOM 495 1HB CYX B 11 -4.960 1.582 1.843 1.00 0.00 H < ATOM 496 2HB CYX B 11 -4.611 2.241 3.434 1.00 0.00 H < ATOM 497 N VAL B 12 -4.295 -1.860 3.276 1.00 0.00 N < ATOM 498 CA VAL B 12 -4.126 -3.203 2.735 1.00 0.00 C < ATOM 499 C VAL B 12 -5.318 -4.088 3.075 1.00 0.00 C < ATOM 500 O VAL B 12 -5.737 -4.918 2.269 1.00 0.00 O < ATOM 501 CB VAL B 12 -2.840 -3.845 3.291 1.00 0.00 C < ATOM 502 CG1 VAL B 12 -2.805 -5.331 2.969 1.00 0.00 C < ATOM 503 CG2 VAL B 12 -1.621 -3.140 2.717 1.00 0.00 C < ATOM 504 H VAL B 12 -3.696 -1.554 4.029 1.00 0.00 H < ATOM 505 HA VAL B 12 -4.065 -3.127 1.650 1.00 0.00 H < ATOM 506 HB VAL B 12 -2.838 -3.751 4.377 1.00 0.00 H < ATOM 507 1HG1 VAL B 12 -1.890 -5.769 3.369 1.00 0.00 H < ATOM 508 2HG1 VAL B 12 -3.668 -5.822 3.419 1.00 0.00 H < ATOM 509 3HG1 VAL B 12 -2.830 -5.470 1.888 1.00 0.00 H < ATOM 510 1HG2 VAL B 12 -0.715 -3.598 3.114 1.00 0.00 H < ATOM 511 2HG2 VAL B 12 -1.626 -3.228 1.631 1.00 0.00 H < ATOM 512 3HG2 VAL B 12 -1.645 -2.086 2.995 1.00 0.00 H < ATOM 513 N ASP B 13 -5.922 -3.961 4.270 1.00 0.00 N < ATOM 514 CA ASP B 13 -7.156 -4.670 4.586 1.00 0.00 C < ATOM 515 C ASP B 13 -8.247 -4.358 3.570 1.00 0.00 C < ATOM 516 O ASP B 13 -9.005 -5.240 3.167 1.00 0.00 O < ATOM 517 CB ASP B 13 -7.640 -4.302 5.991 1.00 0.00 C < ATOM 518 CG ASP B 13 -6.745 -4.859 7.091 1.00 0.00 C < ATOM 519 OD1 ASP B 13 -5.927 -5.698 6.796 1.00 0.00 O < ATOM 520 OD2 ASP B 13 -6.889 -4.440 8.214 1.00 0.00 O < ATOM 521 H ASP B 13 -5.510 -3.359 4.968 1.00 0.00 H < ATOM 522 HA ASP B 13 -6.954 -5.740 4.541 1.00 0.00 H < ATOM 523 1HB ASP B 13 -7.681 -3.217 6.090 1.00 0.00 H < ATOM 524 2HB ASP B 13 -8.652 -4.683 6.139 1.00 0.00 H < ATOM 525 N LEU B 14 -8.368 -3.104 3.119 1.00 0.00 N < ATOM 526 CA LEU B 14 -9.340 -2.605 2.153 1.00 0.00 C < ATOM 527 C LEU B 14 -9.120 -3.226 0.780 1.00 0.00 C < ATOM 528 O LEU B 14 -10.074 -3.507 0.055 1.00 0.00 O < ATOM 529 CB LEU B 14 -9.250 -1.078 2.051 1.00 0.00 C < ATOM 530 CG LEU B 14 -9.722 -0.299 3.286 1.00 0.00 C < ATOM 531 CD1 LEU B 14 -9.421 1.182 3.099 1.00 0.00 C < ATOM 532 CD2 LEU B 14 -11.211 -0.532 3.494 1.00 0.00 C < ATOM 533 H LEU B 14 -7.736 -2.395 3.461 1.00 0.00 H < ATOM 534 HA LEU B 14 -10.335 -2.893 2.494 1.00 0.00 H < ATOM 535 1HB LEU B 14 -8.213 -0.803 1.863 1.00 0.00 H < ATOM 536 2HB LEU B 14 -9.851 -0.750 1.203 1.00 0.00 H < ATOM 537 HG LEU B 14 -9.175 -0.643 4.164 1.00 0.00 H < ATOM 538 1HD1 LEU B 14 -9.756 1.735 3.976 1.00 0.00 H < ATOM 539 2HD1 LEU B 14 -8.347 1.321 2.971 1.00 0.00 H < ATOM 540 3HD1 LEU B 14 -9.943 1.550 2.217 1.00 0.00 H < ATOM 541 1HD2 LEU B 14 -11.547 0.020 4.372 1.00 0.00 H < ATOM 542 2HD2 LEU B 14 -11.760 -0.188 2.617 1.00 0.00 H < ATOM 543 3HD2 LEU B 14 -11.395 -1.596 3.643 1.00 0.00 H < ATOM 544 N VAL B 15 -7.772 -3.413 0.492 1.00 0.00 N < ATOM 545 CA VAL B 15 -7.366 -4.087 -0.736 1.00 0.00 C < ATOM 546 C VAL B 15 -7.867 -5.525 -0.767 1.00 0.00 C < ATOM 547 O VAL B 15 -8.373 -5.994 -1.786 1.00 0.00 O < ATOM 548 CB VAL B 15 -5.831 -4.078 -0.867 1.00 0.00 C < ATOM 549 CG1 VAL B 15 -5.388 -5.009 -1.986 1.00 0.00 C < ATOM 550 CG2 VAL B 15 -5.342 -2.660 -1.119 1.00 0.00 C < ATOM 551 H VAL B 15 -7.079 -3.077 1.145 1.00 0.00 H < ATOM 552 HA VAL B 15 -7.815 -3.558 -1.576 1.00 0.00 H < ATOM 553 HB VAL B 15 -5.394 -4.455 0.057 1.00 0.00 H < ATOM 554 1HG1 VAL B 15 -4.300 -4.991 -2.064 1.00 0.00 H < ATOM 555 2HG1 VAL B 15 -5.718 -6.024 -1.766 1.00 0.00 H < ATOM 556 3HG1 VAL B 15 -5.824 -4.680 -2.928 1.00 0.00 H < ATOM 557 1HG2 VAL B 15 -4.256 -2.661 -1.211 1.00 0.00 H < ATOM 558 2HG2 VAL B 15 -5.783 -2.281 -2.041 1.00 0.00 H < ATOM 559 3HG2 VAL B 15 -5.635 -2.021 -0.287 1.00 0.00 H < ATOM 560 N ARG B 16 -7.725 -6.252 0.385 1.00 0.00 N < ATOM 561 CA ARG B 16 -8.226 -7.621 0.415 1.00 0.00 C < ATOM 562 C ARG B 16 -9.744 -7.655 0.294 1.00 0.00 C < ATOM 563 O ARG B 16 -10.305 -8.539 -0.354 1.00 0.00 O < ATOM 564 CB ARG B 16 -7.807 -8.316 1.702 1.00 0.00 C < ATOM 565 CG ARG B 16 -6.317 -8.588 1.827 1.00 0.00 C < ATOM 566 CD ARG B 16 -6.027 -9.585 2.889 1.00 0.00 C < ATOM 567 NE ARG B 16 -6.628 -9.213 4.160 1.00 0.00 N < ATOM 568 CZ ARG B 16 -6.061 -8.389 5.063 1.00 0.00 C < ATOM 569 NH1 ARG B 16 -4.882 -7.861 4.821 1.00 0.00 N < ATOM 570 NH2 ARG B 16 -6.690 -8.113 6.192 1.00 0.00 N < ATOM 571 H ARG B 16 -7.278 -5.825 1.184 1.00 0.00 H < ATOM 572 HA ARG B 16 -7.810 -8.152 -0.441 1.00 0.00 H < ATOM 573 1HB ARG B 16 -8.104 -7.708 2.556 1.00 0.00 H < ATOM 574 2HB ARG B 16 -8.325 -9.271 1.785 1.00 0.00 H < ATOM 575 1HG ARG B 16 -5.937 -8.975 0.881 1.00 0.00 H < ATOM 576 2HG ARG B 16 -5.797 -7.661 2.075 1.00 0.00 H < ATOM 577 1HD ARG B 16 -6.425 -10.555 2.595 1.00 0.00 H < ATOM 578 2HD ARG B 16 -4.950 -9.662 3.031 1.00 0.00 H < ATOM 579 HE ARG B 16 -7.536 -9.600 4.382 1.00 0.00 H < ATOM 580 1HH1 ARG B 16 -4.401 -8.073 3.958 1.00 0.00 H < ATOM 581 2HH1 ARG B 16 -4.456 -7.244 5.497 1.00 0.00 H < ATOM 582 1HH2 ARG B 16 -7.596 -8.519 6.378 1.00 0.00 H < ATOM 583 2HH2 ARG B 16 -6.265 -7.496 6.868 1.00 0.00 H < ATOM 584 N ASP B 17 -10.496 -6.730 0.884 1.00 0.00 N < ATOM 585 CA ASP B 17 -11.945 -6.604 0.794 1.00 0.00 C < ATOM 586 C ASP B 17 -12.379 -6.228 -0.617 1.00 0.00 C < ATOM 587 O ASP B 17 -11.611 -5.635 -1.375 1.00 0.00 O < ATOM 588 CB ASP B 17 -12.456 -5.558 1.787 1.00 0.00 C < ATOM 589 CG ASP B 17 -12.379 -6.027 3.234 1.00 0.00 C < ATOM 590 OD1 ASP B 17 -12.153 -7.194 3.448 1.00 0.00 O < ATOM 591 OD2 ASP B 17 -12.546 -5.213 4.111 1.00 0.00 O < ATOM 592 H ASP B 17 -10.051 -6.029 1.460 1.00 0.00 H < ATOM 593 HA ASP B 17 -12.385 -7.574 1.031 1.00 0.00 H < ATOM 594 1HB ASP B 17 -11.872 -4.643 1.685 1.00 0.00 H < ATOM 595 2HB ASP B 17 -13.493 -5.312 1.555 1.00 0.00 H < ATOM 596 N PRO B 18 -13.656 -6.606 -0.931 1.00 0.00 N < ATOM 597 CA PRO B 18 -14.303 -6.302 -2.202 1.00 0.00 C < ATOM 598 C PRO B 18 -14.184 -4.822 -2.541 1.00 0.00 C < ATOM 599 O PRO B 18 -14.588 -3.962 -1.759 1.00 0.00 O < ATOM 600 CB PRO B 18 -15.758 -6.711 -1.955 1.00 0.00 C < ATOM 601 CG PRO B 18 -15.664 -7.816 -0.958 1.00 0.00 C < ATOM 602 CD PRO B 18 -14.554 -7.391 -0.033 1.00 0.00 C < ATOM 603 HA PRO B 18 -13.793 -6.866 -2.984 1.00 0.00 H < ATOM 604 1HB PRO B 18 -16.333 -5.849 -1.583 1.00 0.00 H < ATOM 605 2HB PRO B 18 -16.227 -7.026 -2.899 1.00 0.00 H < ATOM 606 1HG PRO B 18 -16.625 -7.941 -0.438 1.00 0.00 H < ATOM 607 2HG PRO B 18 -15.451 -8.768 -1.466 1.00 0.00 H < ATOM 608 1HD PRO B 18 -14.967 -6.768 0.773 1.00 0.00 H < ATOM 609 2HD PRO B 18 -14.060 -8.283 0.380 1.00 0.00 H < ATOM 610 N ASP B 19 -13.596 -4.575 -3.778 1.00 0.00 N < ATOM 611 CA ASP B 19 -13.408 -3.183 -4.172 1.00 0.00 C < ATOM 612 C ASP B 19 -14.415 -2.274 -3.480 1.00 0.00 C < ATOM 613 O ASP B 19 -15.584 -2.223 -3.861 1.00 0.00 O < ATOM 614 CB ASP B 19 -13.535 -3.034 -5.690 1.00 0.00 C < ATOM 615 CG ASP B 19 -13.162 -1.642 -6.182 1.00 0.00 C < ATOM 616 OD1 ASP B 19 -12.901 -0.794 -5.362 1.00 0.00 O < ATOM 617 OD2 ASP B 19 -13.141 -1.440 -7.372 1.00 0.00 O < ATOM 618 H ASP B 19 -13.320 -5.355 -4.357 1.00 0.00 H < ATOM 619 HA ASP B 19 -12.410 -2.875 -3.860 1.00 0.00 H < ATOM 620 1HB ASP B 19 -12.891 -3.762 -6.183 1.00 0.00 H < ATOM 621 2HB ASP B 19 -14.561 -3.247 -5.992 1.00 0.00 H < ATOM 622 N PRO B 20 -14.045 -1.514 -2.444 1.00 0.00 N < ATOM 623 CA PRO B 20 -14.960 -0.643 -1.718 1.00 0.00 C < ATOM 624 C PRO B 20 -15.199 0.658 -2.473 1.00 0.00 C < ATOM 625 O PRO B 20 -15.051 0.714 -3.694 1.00 0.00 O < ATOM 626 CB PRO B 20 -14.228 -0.401 -0.394 1.00 0.00 C < ATOM 627 CG PRO B 20 -12.784 -0.439 -0.762 1.00 0.00 C < ATOM 628 CD PRO B 20 -12.692 -1.521 -1.805 1.00 0.00 C < ATOM 629 HA PRO B 20 -15.917 -1.157 -1.627 1.00 0.00 H < ATOM 630 1HB PRO B 20 -14.535 0.565 0.035 1.00 0.00 H < ATOM 631 2HB PRO B 20 -14.503 -1.178 0.335 1.00 0.00 H < ATOM 632 1HG PRO B 20 -12.463 0.543 -1.141 1.00 0.00 H < ATOM 633 2HG PRO B 20 -12.171 -0.652 0.126 1.00 0.00 H < ATOM 634 1HD PRO B 20 -11.904 -1.266 -2.529 1.00 0.00 H < ATOM 635 2HD PRO B 20 -12.475 -2.483 -1.318 1.00 0.00 H < HETATM 636 CM1 TBS B 21 -2.734 0.114 1.020 1.00 0.00 C < HETATM 637 C1 TBS B 21 -1.321 0.127 0.493 1.00 0.00 C < HETATM 638 C2 TBS B 21 -1.076 0.120 -0.888 1.00 0.00 C < HETATM 639 H1 TBS B 21 -3.387 0.665 0.333 1.00 0.00 H < HETATM 640 H2 TBS B 21 -3.103 -0.917 1.059 1.00 0.00 H < HETATM 641 H3 TBS B 21 -1.915 0.094 -1.581 1.00 0.00 H --- > ATOM 327 N PRO B 1 6.441 1.722 14.373 1.00 0.00 N > ATOM 328 CA PRO B 1 6.120 3.071 14.823 1.00 0.00 C > ATOM 329 C PRO B 1 5.858 3.998 13.643 1.00 0.00 C > ATOM 330 O PRO B 1 5.428 5.138 13.820 1.00 0.00 O > ATOM 331 CB PRO B 1 7.375 3.484 15.599 1.00 0.00 C > ATOM 332 CG PRO B 1 8.011 2.191 15.980 1.00 0.00 C > ATOM 333 CD PRO B 1 7.763 1.290 14.800 1.00 0.00 C > ATOM 334 HA PRO B 1 5.207 3.021 15.417 1.00 0.00 H > ATOM 335 1HB PRO B 1 8.021 4.107 14.963 1.00 0.00 H > ATOM 336 2HB PRO B 1 7.095 4.095 16.469 1.00 0.00 H > ATOM 337 1HG PRO B 1 9.082 2.340 16.182 1.00 0.00 H > ATOM 338 2HG PRO B 1 7.563 1.807 16.908 1.00 0.00 H > ATOM 339 1HD PRO B 1 8.530 1.471 14.032 1.00 0.00 H > ATOM 340 2HD PRO B 1 7.784 0.240 15.129 1.00 0.00 H > ATOM 341 N ILE B 2 6.148 3.434 12.406 1.00 0.00 N > ATOM 342 CA ILE B 2 6.018 4.283 11.228 1.00 0.00 C > ATOM 343 C ILE B 2 4.565 4.672 10.986 1.00 0.00 C > ATOM 344 O ILE B 2 3.700 3.810 10.826 1.00 0.00 O > ATOM 345 CB ILE B 2 6.576 3.578 9.978 1.00 0.00 C > ATOM 346 CG1 ILE B 2 8.032 3.163 10.205 1.00 0.00 C > ATOM 347 CG2 ILE B 2 6.461 4.483 8.761 1.00 0.00 C > ATOM 348 CD1 ILE B 2 8.960 4.321 10.493 1.00 0.00 C > ATOM 349 H ILE B 2 6.440 2.474 12.290 1.00 0.00 H > ATOM 350 HA ILE B 2 6.583 5.198 11.406 1.00 0.00 H > ATOM 351 HB ILE B 2 6.012 2.664 9.794 1.00 0.00 H > ATOM 352 1HG1 ILE B 2 8.085 2.466 11.041 1.00 0.00 H > ATOM 353 2HG1 ILE B 2 8.403 2.641 9.322 1.00 0.00 H > ATOM 354 1HG2 ILE B 2 6.860 3.970 7.887 1.00 0.00 H > ATOM 355 2HG2 ILE B 2 5.414 4.731 8.589 1.00 0.00 H > ATOM 356 3HG2 ILE B 2 7.026 5.399 8.934 1.00 0.00 H > ATOM 357 1HD1 ILE B 2 9.973 3.947 10.642 1.00 0.00 H > ATOM 358 2HD1 ILE B 2 8.949 5.014 9.651 1.00 0.00 H > ATOM 359 3HD1 ILE B 2 8.628 4.837 11.393 1.00 0.00 H > ATOM 360 N PRO B 3 4.201 5.956 10.944 1.00 0.00 N > ATOM 361 CA PRO B 3 2.828 6.404 10.746 1.00 0.00 C > ATOM 362 C PRO B 3 2.244 5.837 9.458 1.00 0.00 C > ATOM 363 O PRO B 3 1.087 5.417 9.423 1.00 0.00 O > ATOM 364 CB PRO B 3 2.969 7.928 10.678 1.00 0.00 C > ATOM 365 CG PRO B 3 4.174 8.221 11.505 1.00 0.00 C > ATOM 366 CD PRO B 3 5.122 7.093 11.198 1.00 0.00 C > ATOM 367 HA PRO B 3 2.227 6.034 11.577 1.00 0.00 H > ATOM 368 1HB PRO B 3 3.082 8.250 9.632 1.00 0.00 H > ATOM 369 2HB PRO B 3 2.059 8.408 11.065 1.00 0.00 H > ATOM 370 1HG PRO B 3 4.587 9.205 11.240 1.00 0.00 H > ATOM 371 2HG PRO B 3 3.902 8.267 12.570 1.00 0.00 H > ATOM 372 1HD PRO B 3 5.716 7.344 10.306 1.00 0.00 H > ATOM 373 2HD PRO B 3 5.778 6.918 12.064 1.00 0.00 H > ATOM 374 N ASP B 4 3.046 5.818 8.377 1.00 0.00 N > ATOM 375 CA ASP B 4 2.696 5.332 7.048 1.00 0.00 C > ATOM 376 C ASP B 4 2.304 3.861 7.085 1.00 0.00 C > ATOM 377 O ASP B 4 1.347 3.447 6.431 1.00 0.00 O > ATOM 378 CB ASP B 4 3.865 5.530 6.079 1.00 0.00 C > ATOM 379 CG ASP B 4 4.053 6.983 5.666 1.00 0.00 C > ATOM 380 OD1 ASP B 4 3.194 7.780 5.962 1.00 0.00 O > ATOM 381 OD2 ASP B 4 5.053 7.283 5.058 1.00 0.00 O > ATOM 382 H ASP B 4 3.990 6.169 8.458 1.00 0.00 H > ATOM 383 HA ASP B 4 1.834 5.899 6.696 1.00 0.00 H > ATOM 384 1HB ASP B 4 4.786 5.177 6.543 1.00 0.00 H > ATOM 385 2HB ASP B 4 3.700 4.931 5.183 1.00 0.00 H > ATOM 386 N ALA B 5 3.137 3.109 7.917 1.00 0.00 N > ATOM 387 CA ALA B 5 2.904 1.675 8.036 1.00 0.00 C > ATOM 388 C ALA B 5 1.591 1.387 8.753 1.00 0.00 C > ATOM 389 O ALA B 5 0.885 0.437 8.417 1.00 0.00 O > ATOM 390 CB ALA B 5 4.062 1.009 8.766 1.00 0.00 C > ATOM 391 H ALA B 5 3.881 3.573 8.417 1.00 0.00 H > ATOM 392 HA ALA B 5 2.834 1.258 7.031 1.00 0.00 H > ATOM 393 1HB ALA B 5 3.873 -0.061 8.848 1.00 0.00 H > ATOM 394 2HB ALA B 5 4.985 1.174 8.211 1.00 0.00 H > ATOM 395 3HB ALA B 5 4.157 1.437 9.763 1.00 0.00 H > ATOM 396 N ARG B 6 1.219 2.202 9.769 1.00 0.00 N > ATOM 397 CA ARG B 6 -0.053 1.992 10.451 1.00 0.00 C > ATOM 398 C ARG B 6 -1.228 2.218 9.508 1.00 0.00 C > ATOM 399 O ARG B 6 -2.196 1.459 9.514 1.00 0.00 O > ATOM 400 CB ARG B 6 -0.179 2.923 11.647 1.00 0.00 C > ATOM 401 CG ARG B 6 0.732 2.588 12.817 1.00 0.00 C > ATOM 402 CD ARG B 6 0.332 3.313 14.050 1.00 0.00 C > ATOM 403 NE ARG B 6 0.534 4.748 13.926 1.00 0.00 N > ATOM 404 CZ ARG B 6 1.692 5.383 14.192 1.00 0.00 C > ATOM 405 NH1 ARG B 6 2.740 4.699 14.595 1.00 0.00 N > ATOM 406 NH2 ARG B 6 1.775 6.694 14.048 1.00 0.00 N > ATOM 407 H ARG B 6 1.832 2.956 10.045 1.00 0.00 H > ATOM 408 HA ARG B 6 -0.089 0.955 10.786 1.00 0.00 H > ATOM 409 1HB ARG B 6 0.042 3.944 11.338 1.00 0.00 H > ATOM 410 2HB ARG B 6 -1.206 2.907 12.014 1.00 0.00 H > ATOM 411 1HG ARG B 6 0.688 1.518 13.019 1.00 0.00 H > ATOM 412 2HG ARG B 6 1.757 2.869 12.572 1.00 0.00 H > ATOM 413 1HD ARG B 6 -0.724 3.134 14.251 1.00 0.00 H > ATOM 414 2HD ARG B 6 0.926 2.957 14.891 1.00 0.00 H > ATOM 415 HE ARG B 6 -0.250 5.308 13.619 1.00 0.00 H > ATOM 416 1HH1 ARG B 6 2.676 3.696 14.705 1.00 0.00 H > ATOM 417 2HH1 ARG B 6 3.607 5.175 14.794 1.00 0.00 H > ATOM 418 1HH2 ARG B 6 0.969 7.220 13.738 1.00 0.00 H > ATOM 419 2HH2 ARG B 6 2.642 7.170 14.247 1.00 0.00 H > ATOM 420 N ARG B 7 -1.214 3.249 8.664 1.00 0.00 N > ATOM 421 CA ARG B 7 -2.186 3.544 7.617 1.00 0.00 C > ATOM 422 C ARG B 7 -2.173 2.472 6.536 1.00 0.00 C > ATOM 423 O ARG B 7 -3.222 2.078 6.026 1.00 0.00 O > ATOM 424 CB ARG B 7 -1.900 4.899 6.988 1.00 0.00 C > ATOM 425 CG ARG B 7 -2.912 5.346 5.945 1.00 0.00 C > ATOM 426 CD ARG B 7 -2.631 6.722 5.461 1.00 0.00 C > ATOM 427 NE ARG B 7 -3.596 7.154 4.463 1.00 0.00 N > ATOM 428 CZ ARG B 7 -3.547 8.332 3.811 1.00 0.00 C > ATOM 429 NH1 ARG B 7 -2.578 9.183 4.062 1.00 0.00 N > ATOM 430 NH2 ARG B 7 -4.475 8.632 2.918 1.00 0.00 N > ATOM 431 H ARG B 7 -0.465 3.924 8.722 1.00 0.00 H > ATOM 432 HA ARG B 7 -3.178 3.551 8.069 1.00 0.00 H > ATOM 433 1HB ARG B 7 -1.869 5.662 7.764 1.00 0.00 H > ATOM 434 2HB ARG B 7 -0.921 4.879 6.509 1.00 0.00 H > ATOM 435 1HG ARG B 7 -2.878 4.669 5.091 1.00 0.00 H > ATOM 436 2HG ARG B 7 -3.912 5.333 6.379 1.00 0.00 H > ATOM 437 1HD ARG B 7 -2.674 7.418 6.299 1.00 0.00 H > ATOM 438 2HD ARG B 7 -1.639 6.755 5.013 1.00 0.00 H > ATOM 439 HE ARG B 7 -4.357 6.525 4.242 1.00 0.00 H > ATOM 440 1HH1 ARG B 7 -1.869 8.954 4.745 1.00 0.00 H > ATOM 441 2HH1 ARG B 7 -2.541 10.066 3.574 1.00 0.00 H > ATOM 442 1HH2 ARG B 7 -5.220 7.977 2.724 1.00 0.00 H > ATOM 443 2HH2 ARG B 7 -4.438 9.514 2.429 1.00 0.00 H > ATOM 444 N ALA B 8 -0.900 2.032 6.227 1.00 0.00 N > ATOM 445 CA ALA B 8 -0.662 1.003 5.222 1.00 0.00 C > ATOM 446 C ALA B 8 -1.396 -0.286 5.569 1.00 0.00 C > ATOM 447 O ALA B 8 -2.103 -0.853 4.735 1.00 0.00 O > ATOM 448 CB ALA B 8 0.830 0.739 5.077 1.00 0.00 C > ATOM 449 H ALA B 8 -0.110 2.433 6.712 1.00 0.00 H > ATOM 450 HA ALA B 8 -1.051 1.363 4.270 1.00 0.00 H > ATOM 451 1HB ALA B 8 0.991 -0.031 4.323 1.00 0.00 H > ATOM 452 2HB ALA B 8 1.333 1.657 4.772 1.00 0.00 H > ATOM 453 3HB ALA B 8 1.234 0.404 6.030 1.00 0.00 H > ATOM 454 N ILE B 9 -1.204 -0.747 6.857 1.00 0.00 N > ATOM 455 CA ILE B 9 -1.910 -1.956 7.261 1.00 0.00 C > ATOM 456 C ILE B 9 -3.414 -1.806 7.071 1.00 0.00 C > ATOM 457 O ILE B 9 -4.090 -2.737 6.633 1.00 0.00 O > ATOM 458 CB ILE B 9 -1.610 -2.301 8.732 1.00 0.00 C > ATOM 459 CG1 ILE B 9 -0.149 -2.729 8.892 1.00 0.00 C > ATOM 460 CG2 ILE B 9 -2.546 -3.395 9.223 1.00 0.00 C > ATOM 461 CD1 ILE B 9 0.314 -2.794 10.330 1.00 0.00 C > ATOM 462 H ILE B 9 -0.587 -0.238 7.474 1.00 0.00 H > ATOM 463 HA ILE B 9 -1.573 -2.774 6.625 1.00 0.00 H > ATOM 464 HB ILE B 9 -1.748 -1.414 9.349 1.00 0.00 H > ATOM 465 1HG1 ILE B 9 -0.006 -3.711 8.443 1.00 0.00 H > ATOM 466 2HG1 ILE B 9 0.496 -2.030 8.359 1.00 0.00 H > ATOM 467 1HG2 ILE B 9 -2.319 -3.627 10.263 1.00 0.00 H > ATOM 468 2HG2 ILE B 9 -3.577 -3.054 9.143 1.00 0.00 H > ATOM 469 3HG2 ILE B 9 -2.411 -4.289 8.614 1.00 0.00 H > ATOM 470 1HD1 ILE B 9 1.359 -3.104 10.362 1.00 0.00 H > ATOM 471 2HD1 ILE B 9 0.213 -1.810 10.790 1.00 0.00 H > ATOM 472 3HD1 ILE B 9 -0.294 -3.514 10.876 1.00 0.00 H > ATOM 473 N ARG B 10 -4.033 -0.667 7.373 1.00 0.00 N > ATOM 474 CA ARG B 10 -5.470 -0.439 7.285 1.00 0.00 C > ATOM 475 C ARG B 10 -5.954 -0.520 5.843 1.00 0.00 C > ATOM 476 O ARG B 10 -6.993 -1.115 5.559 1.00 0.00 O > ATOM 477 CB ARG B 10 -5.834 0.920 7.864 1.00 0.00 C > ATOM 478 CG ARG B 10 -5.681 1.035 9.372 1.00 0.00 C > ATOM 479 CD ARG B 10 -5.964 2.413 9.849 1.00 0.00 C > ATOM 480 NE ARG B 10 -5.821 2.527 11.292 1.00 0.00 N > ATOM 481 CZ ARG B 10 -5.880 3.686 11.977 1.00 0.00 C > ATOM 482 NH1 ARG B 10 -6.079 4.818 11.339 1.00 0.00 N > ATOM 483 NH2 ARG B 10 -5.737 3.685 13.291 1.00 0.00 N > ATOM 484 H ARG B 10 -3.486 0.121 7.692 1.00 0.00 H > ATOM 485 HA ARG B 10 -5.972 -1.225 7.850 1.00 0.00 H > ATOM 486 1HB ARG B 10 -5.209 1.687 7.410 1.00 0.00 H > ATOM 487 2HB ARG B 10 -6.870 1.155 7.619 1.00 0.00 H > ATOM 488 1HG ARG B 10 -6.376 0.353 9.862 1.00 0.00 H > ATOM 489 2HG ARG B 10 -4.659 0.777 9.655 1.00 0.00 H > ATOM 490 1HD ARG B 10 -5.270 3.110 9.381 1.00 0.00 H > ATOM 491 2HD ARG B 10 -6.985 2.686 9.586 1.00 0.00 H > ATOM 492 HE ARG B 10 -5.666 1.678 11.818 1.00 0.00 H > ATOM 493 1HH1 ARG B 10 -6.189 4.819 10.334 1.00 0.00 H > ATOM 494 2HH1 ARG B 10 -6.124 5.686 11.852 1.00 0.00 H > ATOM 495 1HH2 ARG B 10 -5.583 2.814 13.782 1.00 0.00 H > ATOM 496 2HH2 ARG B 10 -5.781 4.553 13.804 1.00 0.00 H > ATOM 497 N CYX B 11 -5.168 0.100 4.926 1.00 0.00 N > ATOM 498 CA CYX B 11 -5.491 0.265 3.514 1.00 0.00 C > ATOM 499 C CYX B 11 -5.300 -1.037 2.749 1.00 0.00 C > ATOM 500 O CYX B 11 -5.997 -1.301 1.769 1.00 0.00 O > ATOM 501 CB CYX B 11 -4.619 1.353 2.887 1.00 0.00 C > ATOM 502 SG CYX B 11 -2.890 0.874 2.661 1.00 0.00 S > ATOM 503 H CYX B 11 -4.294 0.466 5.277 1.00 0.00 H > ATOM 504 HA CYX B 11 -6.536 0.567 3.432 1.00 0.00 H > ATOM 505 1HB CYX B 11 -5.024 1.626 1.912 1.00 0.00 H > ATOM 506 2HB CYX B 11 -4.643 2.245 3.512 1.00 0.00 H > ATOM 507 N VAL B 12 -4.286 -1.837 3.282 1.00 0.00 N > ATOM 508 CA VAL B 12 -4.101 -3.171 2.725 1.00 0.00 C > ATOM 509 C VAL B 12 -5.280 -4.076 3.058 1.00 0.00 C > ATOM 510 O VAL B 12 -5.671 -4.924 2.255 1.00 0.00 O > ATOM 511 CB VAL B 12 -2.804 -3.801 3.267 1.00 0.00 C > ATOM 512 CG1 VAL B 12 -2.762 -5.289 2.951 1.00 0.00 C > ATOM 513 CG2 VAL B 12 -1.596 -3.090 2.677 1.00 0.00 C > ATOM 514 H VAL B 12 -3.684 -1.528 4.032 1.00 0.00 H > ATOM 515 HA VAL B 12 -4.046 -3.080 1.640 1.00 0.00 H > ATOM 516 HB VAL B 12 -2.790 -3.703 4.353 1.00 0.00 H > ATOM 517 1HG1 VAL B 12 -1.839 -5.718 3.342 1.00 0.00 H > ATOM 518 2HG1 VAL B 12 -3.616 -5.784 3.413 1.00 0.00 H > ATOM 519 3HG1 VAL B 12 -2.799 -5.432 1.871 1.00 0.00 H > ATOM 520 1HG2 VAL B 12 -0.683 -3.540 3.066 1.00 0.00 H > ATOM 521 2HG2 VAL B 12 -1.614 -3.183 1.591 1.00 0.00 H > ATOM 522 3HG2 VAL B 12 -1.626 -2.035 2.951 1.00 0.00 H > ATOM 523 N ASP B 13 -5.902 -3.949 4.243 1.00 0.00 N > ATOM 524 CA ASP B 13 -7.122 -4.684 4.553 1.00 0.00 C > ATOM 525 C ASP B 13 -8.225 -4.371 3.550 1.00 0.00 C > ATOM 526 O ASP B 13 -8.980 -5.255 3.147 1.00 0.00 O > ATOM 527 CB ASP B 13 -7.603 -4.353 5.968 1.00 0.00 C > ATOM 528 CG ASP B 13 -6.697 -4.924 7.051 1.00 0.00 C > ATOM 529 OD1 ASP B 13 -5.891 -5.768 6.739 1.00 0.00 O > ATOM 530 OD2 ASP B 13 -6.820 -4.511 8.179 1.00 0.00 O > ATOM 531 H ASP B 13 -5.515 -3.327 4.938 1.00 0.00 H > ATOM 532 HA ASP B 13 -6.902 -5.750 4.486 1.00 0.00 H > ATOM 533 1HB ASP B 13 -7.654 -3.271 6.091 1.00 0.00 H > ATOM 534 2HB ASP B 13 -8.610 -4.747 6.112 1.00 0.00 H > ATOM 535 N LEU B 14 -8.359 -3.114 3.111 1.00 0.00 N > ATOM 536 CA LEU B 14 -9.344 -2.614 2.160 1.00 0.00 C > ATOM 537 C LEU B 14 -9.119 -3.204 0.773 1.00 0.00 C > ATOM 538 O LEU B 14 -10.072 -3.472 0.041 1.00 0.00 O > ATOM 539 CB LEU B 14 -9.281 -1.083 2.088 1.00 0.00 C > ATOM 540 CG LEU B 14 -9.767 -0.338 3.337 1.00 0.00 C > ATOM 541 CD1 LEU B 14 -9.505 1.153 3.173 1.00 0.00 C > ATOM 542 CD2 LEU B 14 -11.248 -0.613 3.549 1.00 0.00 C > ATOM 543 H LEU B 14 -7.728 -2.404 3.453 1.00 0.00 H > ATOM 544 HA LEU B 14 -10.332 -2.926 2.499 1.00 0.00 H > ATOM 545 1HB LEU B 14 -8.250 -0.786 1.905 1.00 0.00 H > ATOM 546 2HB LEU B 14 -9.888 -0.750 1.246 1.00 0.00 H > ATOM 547 HG LEU B 14 -9.206 -0.681 4.207 1.00 0.00 H > ATOM 548 1HD1 LEU B 14 -9.849 1.683 4.062 1.00 0.00 H > ATOM 549 2HD1 LEU B 14 -8.436 1.323 3.043 1.00 0.00 H > ATOM 550 3HD1 LEU B 14 -10.041 1.523 2.300 1.00 0.00 H > ATOM 551 1HD2 LEU B 14 -11.593 -0.083 4.438 1.00 0.00 H > ATOM 552 2HD2 LEU B 14 -11.810 -0.268 2.681 1.00 0.00 H > ATOM 553 3HD2 LEU B 14 -11.404 -1.683 3.681 1.00 0.00 H > ATOM 554 N VAL B 15 -7.771 -3.380 0.484 1.00 0.00 N > ATOM 555 CA VAL B 15 -7.360 -4.039 -0.750 1.00 0.00 C > ATOM 556 C VAL B 15 -7.855 -5.479 -0.796 1.00 0.00 C > ATOM 557 O VAL B 15 -8.348 -5.944 -1.823 1.00 0.00 O > ATOM 558 CB VAL B 15 -5.826 -4.022 -0.880 1.00 0.00 C > ATOM 559 CG1 VAL B 15 -5.377 -4.942 -2.006 1.00 0.00 C > ATOM 560 CG2 VAL B 15 -5.342 -2.600 -1.119 1.00 0.00 C > ATOM 561 H VAL B 15 -7.079 -3.045 1.140 1.00 0.00 H > ATOM 562 HA VAL B 15 -7.811 -3.504 -1.586 1.00 0.00 H > ATOM 563 HB VAL B 15 -5.388 -4.406 0.042 1.00 0.00 H > ATOM 564 1HG1 VAL B 15 -4.289 -4.918 -2.084 1.00 0.00 H > ATOM 565 2HG1 VAL B 15 -5.702 -5.960 -1.796 1.00 0.00 H > ATOM 566 3HG1 VAL B 15 -5.814 -4.606 -2.946 1.00 0.00 H > ATOM 567 1HG2 VAL B 15 -4.256 -2.596 -1.210 1.00 0.00 H > ATOM 568 2HG2 VAL B 15 -5.785 -2.215 -2.038 1.00 0.00 H > ATOM 569 3HG2 VAL B 15 -5.639 -1.969 -0.281 1.00 0.00 H > ATOM 570 N ARG B 16 -7.721 -6.213 0.352 1.00 0.00 N > ATOM 571 CA ARG B 16 -8.208 -7.587 0.366 1.00 0.00 C > ATOM 572 C ARG B 16 -9.728 -7.634 0.265 1.00 0.00 C > ATOM 573 O ARG B 16 -10.290 -8.521 -0.378 1.00 0.00 O > ATOM 574 CB ARG B 16 -7.766 -8.300 1.635 1.00 0.00 C > ATOM 575 CG ARG B 16 -6.266 -8.521 1.754 1.00 0.00 C > ATOM 576 CD ARG B 16 -5.941 -9.533 2.792 1.00 0.00 C > ATOM 577 NE ARG B 16 -6.613 -9.254 4.051 1.00 0.00 N > ATOM 578 CZ ARG B 16 -6.164 -8.391 4.983 1.00 0.00 C > ATOM 579 NH1 ARG B 16 -5.044 -7.732 4.784 1.00 0.00 N > ATOM 580 NH2 ARG B 16 -6.849 -8.207 6.098 1.00 0.00 N > ATOM 581 H ARG B 16 -7.290 -5.788 1.161 1.00 0.00 H > ATOM 582 HA ARG B 16 -7.800 -8.100 -0.505 1.00 0.00 H > ATOM 583 1HB ARG B 16 -8.084 -7.726 2.504 1.00 0.00 H > ATOM 584 2HB ARG B 16 -8.248 -9.276 1.692 1.00 0.00 H > ATOM 585 1HG ARG B 16 -5.873 -8.871 0.799 1.00 0.00 H > ATOM 586 2HG ARG B 16 -5.780 -7.583 2.026 1.00 0.00 H > ATOM 587 1HD ARG B 16 -6.254 -10.519 2.450 1.00 0.00 H > ATOM 588 2HD ARG B 16 -4.867 -9.536 2.973 1.00 0.00 H > ATOM 589 HE ARG B 16 -7.478 -9.742 4.240 1.00 0.00 H > ATOM 590 1HH1 ARG B 16 -4.520 -7.873 3.932 1.00 0.00 H > ATOM 591 2HH1 ARG B 16 -4.707 -7.086 5.482 1.00 0.00 H > ATOM 592 1HH2 ARG B 16 -7.711 -8.713 6.251 1.00 0.00 H > ATOM 593 2HH2 ARG B 16 -6.513 -7.560 6.796 1.00 0.00 H > ATOM 594 N ASP B 17 -10.479 -6.717 0.868 1.00 0.00 N > ATOM 595 CA ASP B 17 -11.929 -6.592 0.781 1.00 0.00 C > ATOM 596 C ASP B 17 -12.364 -6.185 -0.621 1.00 0.00 C > ATOM 597 O ASP B 17 -11.591 -5.591 -1.373 1.00 0.00 O > ATOM 598 CB ASP B 17 -12.441 -5.568 1.797 1.00 0.00 C > ATOM 599 CG ASP B 17 -12.371 -6.072 3.233 1.00 0.00 C > ATOM 600 OD1 ASP B 17 -12.147 -7.244 3.420 1.00 0.00 O > ATOM 601 OD2 ASP B 17 -12.541 -5.279 4.128 1.00 0.00 O > ATOM 602 H ASP B 17 -10.035 -6.024 1.452 1.00 0.00 H > ATOM 603 HA ASP B 17 -12.367 -7.566 0.997 1.00 0.00 H > ATOM 604 1HB ASP B 17 -11.854 -4.653 1.719 1.00 0.00 H > ATOM 605 2HB ASP B 17 -13.476 -5.313 1.568 1.00 0.00 H > ATOM 606 N PRO B 18 -13.648 -6.537 -0.935 1.00 0.00 N > ATOM 607 CA PRO B 18 -14.303 -6.185 -2.189 1.00 0.00 C > ATOM 608 C PRO B 18 -14.157 -4.699 -2.489 1.00 0.00 C > ATOM 609 O PRO B 18 -14.584 -3.853 -1.704 1.00 0.00 O > ATOM 610 CB PRO B 18 -15.764 -6.569 -1.935 1.00 0.00 C > ATOM 611 CG PRO B 18 -15.682 -7.701 -0.968 1.00 0.00 C > ATOM 612 CD PRO B 18 -14.555 -7.324 -0.045 1.00 0.00 C > ATOM 613 HA PRO B 18 -13.816 -6.738 -2.993 1.00 0.00 H > ATOM 614 1HB PRO B 18 -16.316 -5.705 -1.534 1.00 0.00 H > ATOM 615 2HB PRO B 18 -16.250 -6.850 -2.881 1.00 0.00 H > ATOM 616 1HG PRO B 18 -16.640 -7.821 -0.441 1.00 0.00 H > ATOM 617 2HG PRO B 18 -15.494 -8.644 -1.503 1.00 0.00 H > ATOM 618 1HD PRO B 18 -14.946 -6.712 0.781 1.00 0.00 H > ATOM 619 2HD PRO B 18 -14.076 -8.236 0.341 1.00 0.00 H > ATOM 620 N ASP B 19 -13.515 -4.430 -3.694 1.00 0.00 N > ATOM 621 CA ASP B 19 -13.261 -3.034 -4.029 1.00 0.00 C > ATOM 622 C ASP B 19 -14.262 -2.112 -3.345 1.00 0.00 C > ATOM 623 O ASP B 19 -15.412 -2.004 -3.770 1.00 0.00 O > ATOM 624 CB ASP B 19 -13.319 -2.826 -5.544 1.00 0.00 C > ATOM 625 CG ASP B 19 -12.901 -1.424 -5.967 1.00 0.00 C > ATOM 626 OD1 ASP B 19 -12.680 -0.606 -5.105 1.00 0.00 O > ATOM 627 OD2 ASP B 19 -12.806 -1.185 -7.147 1.00 0.00 O > ATOM 628 H ASP B 19 -13.249 -5.199 -4.292 1.00 0.00 H > ATOM 629 HA ASP B 19 -12.266 -2.775 -3.666 1.00 0.00 H > ATOM 630 1HB ASP B 19 -12.667 -3.548 -6.036 1.00 0.00 H > ATOM 631 2HB ASP B 19 -14.335 -3.009 -5.898 1.00 0.00 H > ATOM 632 N PRO B 20 -13.907 -1.404 -2.269 1.00 0.00 N > ATOM 633 CA PRO B 20 -14.817 -0.515 -1.555 1.00 0.00 C > ATOM 634 C PRO B 20 -14.931 0.833 -2.254 1.00 0.00 C > ATOM 635 O PRO B 20 -14.369 1.035 -3.330 1.00 0.00 O > ATOM 636 CB PRO B 20 -14.160 -0.383 -0.178 1.00 0.00 C > ATOM 637 CG PRO B 20 -12.698 -0.457 -0.461 1.00 0.00 C > ATOM 638 CD PRO B 20 -12.582 -1.475 -1.564 1.00 0.00 C > ATOM 639 HA PRO B 20 -15.805 -0.974 -1.551 1.00 0.00 H > ATOM 640 1HB PRO B 20 -14.456 0.567 0.291 1.00 0.00 H > ATOM 641 2HB PRO B 20 -14.508 -1.190 0.484 1.00 0.00 H > ATOM 642 1HG PRO B 20 -12.317 0.532 -0.756 1.00 0.00 H > ATOM 643 2HG PRO B 20 -12.150 -0.752 0.446 1.00 0.00 H > ATOM 644 1HD PRO B 20 -11.758 -1.196 -2.237 1.00 0.00 H > ATOM 645 2HD PRO B 20 -12.407 -2.470 -1.129 1.00 0.00 H > HETATM 646 CM1 TBS B 21 -2.763 0.391 0.939 1.00 0.00 C > HETATM 647 C1 TBS B 21 -1.336 0.403 0.454 1.00 0.00 C > HETATM 648 C2 TBS B 21 -1.049 0.396 -0.920 1.00 0.00 C > HETATM 649 H1 TBS B 21 -3.365 1.072 0.326 1.00 0.00 H > HETATM 650 H2 TBS B 21 -3.186 -0.613 0.813 1.00 0.00 H > HETATM 651 H3 TBS B 21 -1.868 0.370 -1.638 1.00 0.00 H 763,1082c773,1097 < ATOM 643 N ASP C 1 -15.566 1.667 -1.705 1.00 0.00 N < ATOM 644 CA ASP C 1 -15.844 3.000 -2.225 1.00 0.00 C < ATOM 645 C ASP C 1 -14.769 3.993 -1.802 1.00 0.00 C < ATOM 646 O ASP C 1 -14.844 5.179 -2.124 1.00 0.00 O < ATOM 647 CB ASP C 1 -17.214 3.488 -1.746 1.00 0.00 C < ATOM 648 CG ASP C 1 -18.364 2.653 -2.293 1.00 0.00 C < ATOM 649 OD1 ASP C 1 -18.218 2.101 -3.358 1.00 0.00 O < ATOM 650 OD2 ASP C 1 -19.378 2.576 -1.641 1.00 0.00 O < ATOM 651 H ASP C 1 -15.654 1.497 -0.713 1.00 0.00 H < ATOM 652 HA ASP C 1 -15.840 2.947 -3.314 1.00 0.00 H < ATOM 653 1HB ASP C 1 -17.250 3.459 -0.657 1.00 0.00 H < ATOM 654 2HB ASP C 1 -17.359 4.524 -2.051 1.00 0.00 H < ATOM 655 N VAL C 2 -13.745 3.430 -1.048 1.00 0.00 N < ATOM 656 CA VAL C 2 -12.712 4.323 -0.537 1.00 0.00 C < ATOM 657 C VAL C 2 -11.731 4.715 -1.635 1.00 0.00 C < ATOM 658 O VAL C 2 -11.123 3.855 -2.273 1.00 0.00 O < ATOM 659 CB VAL C 2 -11.946 3.649 0.616 1.00 0.00 C < ATOM 660 CG1 VAL C 2 -10.840 4.562 1.126 1.00 0.00 C < ATOM 661 CG2 VAL C 2 -12.909 3.290 1.738 1.00 0.00 C < ATOM 662 H VAL C 2 -13.688 2.443 -0.842 1.00 0.00 H < ATOM 663 HA VAL C 2 -13.196 5.233 -0.182 1.00 0.00 H < ATOM 664 HB VAL C 2 -11.468 2.744 0.243 1.00 0.00 H < ATOM 665 1HG1 VAL C 2 -10.309 4.070 1.941 1.00 0.00 H < ATOM 666 2HG1 VAL C 2 -10.143 4.777 0.316 1.00 0.00 H < ATOM 667 3HG1 VAL C 2 -11.275 5.493 1.488 1.00 0.00 H < ATOM 668 1HG2 VAL C 2 -12.360 2.814 2.549 1.00 0.00 H < ATOM 669 2HG2 VAL C 2 -13.391 4.196 2.107 1.00 0.00 H < ATOM 670 3HG2 VAL C 2 -13.667 2.604 1.360 1.00 0.00 H < ATOM 671 N PRO C 3 -11.511 5.999 -1.926 1.00 0.00 N < ATOM 672 CA PRO C 3 -10.605 6.450 -2.975 1.00 0.00 C < ATOM 673 C PRO C 3 -9.214 5.856 -2.795 1.00 0.00 C < ATOM 674 O PRO C 3 -8.581 5.427 -3.760 1.00 0.00 O < ATOM 675 CB PRO C 3 -10.597 7.971 -2.794 1.00 0.00 C < ATOM 676 CG PRO C 3 -11.943 8.279 -2.232 1.00 0.00 C < ATOM 677 CD PRO C 3 -12.224 7.141 -1.288 1.00 0.00 C < ATOM 678 HA PRO C 3 -10.995 6.102 -3.932 1.00 0.00 H < ATOM 679 1HB PRO C 3 -9.776 8.266 -2.123 1.00 0.00 H < ATOM 680 2HB PRO C 3 -10.415 8.464 -3.760 1.00 0.00 H < ATOM 681 1HG PRO C 3 -11.928 9.256 -1.725 1.00 0.00 H < ATOM 682 2HG PRO C 3 -12.685 8.352 -3.041 1.00 0.00 H < ATOM 683 1HD PRO C 3 -11.809 7.375 -0.297 1.00 0.00 H < ATOM 684 2HD PRO C 3 -13.310 6.975 -1.225 1.00 0.00 H < ATOM 685 N ASP C 4 -8.719 5.823 -1.542 1.00 0.00 N < ATOM 686 CA ASP C 4 -7.417 5.305 -1.140 1.00 0.00 C < ATOM 687 C ASP C 4 -7.275 3.832 -1.498 1.00 0.00 C < ATOM 688 O ASP C 4 -6.225 3.396 -1.970 1.00 0.00 O < ATOM 689 CB ASP C 4 -7.206 5.493 0.365 1.00 0.00 C < ATOM 690 CG ASP C 4 -6.922 6.939 0.747 1.00 0.00 C < ATOM 691 OD1 ASP C 4 -6.678 7.729 -0.134 1.00 0.00 O < ATOM 692 OD2 ASP C 4 -6.952 7.240 1.917 1.00 0.00 O < ATOM 693 H ASP C 4 -9.278 6.185 -0.783 1.00 0.00 H < ATOM 694 HA ASP C 4 -6.650 5.857 -1.684 1.00 0.00 H < ATOM 695 1HB ASP C 4 -8.095 5.158 0.901 1.00 0.00 H < ATOM 696 2HB ASP C 4 -6.372 4.874 0.696 1.00 0.00 H < ATOM 697 N ALA C 5 -8.437 3.105 -1.228 1.00 0.00 N < ATOM 698 CA ALA C 5 -8.451 1.672 -1.501 1.00 0.00 C < ATOM 699 C ALA C 5 -8.381 1.395 -2.997 1.00 0.00 C < ATOM 700 O ALA C 5 -7.721 0.452 -3.433 1.00 0.00 O < ATOM 701 CB ALA C 5 -9.694 1.031 -0.902 1.00 0.00 C < ATOM 702 H ALA C 5 -9.241 3.585 -0.851 1.00 0.00 H < ATOM 703 HA ALA C 5 -7.568 1.231 -1.038 1.00 0.00 H < ATOM 704 1HB ALA C 5 -9.690 -0.038 -1.113 1.00 0.00 H < ATOM 705 2HB ALA C 5 -9.700 1.187 0.177 1.00 0.00 H < ATOM 706 3HB ALA C 5 -10.583 1.484 -1.338 1.00 0.00 H < ATOM 707 N ARG C 6 -9.061 2.212 -3.837 1.00 0.00 N < ATOM 708 CA ARG C 6 -9.001 1.998 -5.278 1.00 0.00 C < ATOM 709 C ARG C 6 -7.591 2.218 -5.809 1.00 0.00 C < ATOM 710 O ARG C 6 -7.107 1.456 -6.646 1.00 0.00 O < ATOM 711 CB ARG C 6 -9.963 2.932 -5.998 1.00 0.00 C < ATOM 712 CG ARG C 6 -11.436 2.611 -5.799 1.00 0.00 C < ATOM 713 CD ARG C 6 -12.294 3.350 -6.760 1.00 0.00 C < ATOM 714 NE ARG C 6 -12.263 4.784 -6.524 1.00 0.00 N < ATOM 715 CZ ARG C 6 -13.053 5.432 -5.645 1.00 0.00 C < ATOM 716 NH1 ARG C 6 -13.928 4.761 -4.930 1.00 0.00 N < ATOM 717 NH2 ARG C 6 -12.948 6.741 -5.503 1.00 0.00 N < ATOM 718 H ARG C 6 -9.608 2.969 -3.451 1.00 0.00 H < ATOM 719 HA ARG C 6 -9.276 0.962 -5.478 1.00 0.00 H < ATOM 720 1HB ARG C 6 -9.799 3.954 -5.659 1.00 0.00 H < ATOM 721 2HB ARG C 6 -9.762 2.905 -7.069 1.00 0.00 H < ATOM 722 1HG ARG C 6 -11.599 1.543 -5.944 1.00 0.00 H < ATOM 723 2HG ARG C 6 -11.735 2.890 -4.788 1.00 0.00 H < ATOM 724 1HD ARG C 6 -11.945 3.164 -7.776 1.00 0.00 H < ATOM 725 2HD ARG C 6 -13.324 3.010 -6.663 1.00 0.00 H < ATOM 726 HE ARG C 6 -11.602 5.334 -7.056 1.00 0.00 H < ATOM 727 1HH1 ARG C 6 -14.008 3.760 -5.038 1.00 0.00 H < ATOM 728 2HH1 ARG C 6 -14.520 5.246 -4.272 1.00 0.00 H < ATOM 729 1HH2 ARG C 6 -12.275 7.257 -6.054 1.00 0.00 H < ATOM 730 2HH2 ARG C 6 -13.539 7.227 -4.845 1.00 0.00 H < ATOM 731 N ARG C 7 -6.866 3.245 -5.367 1.00 0.00 N < ATOM 732 CA ARG C 7 -5.471 3.536 -5.675 1.00 0.00 C < ATOM 733 C ARG C 7 -4.548 2.461 -5.114 1.00 0.00 C < ATOM 734 O ARG C 7 -3.573 2.070 -5.755 1.00 0.00 O < ATOM 735 CB ARG C 7 -5.069 4.890 -5.110 1.00 0.00 C < ATOM 736 CG ARG C 7 -3.664 5.344 -5.475 1.00 0.00 C < ATOM 737 CD ARG C 7 -3.396 6.728 -5.008 1.00 0.00 C < ATOM 738 NE ARG C 7 -2.059 7.172 -5.368 1.00 0.00 N < ATOM 739 CZ ARG C 7 -1.538 8.373 -5.045 1.00 0.00 C < ATOM 740 NH1 ARG C 7 -2.253 9.235 -4.358 1.00 0.00 N < ATOM 741 NH2 ARG C 7 -0.309 8.682 -5.420 1.00 0.00 N < ATOM 742 H ARG C 7 -7.294 3.920 -4.749 1.00 0.00 H < ATOM 743 HA ARG C 7 -5.357 3.541 -6.759 1.00 0.00 H < ATOM 744 1HB ARG C 7 -5.763 5.651 -5.463 1.00 0.00 H < ATOM 745 2HB ARG C 7 -5.135 4.865 -4.023 1.00 0.00 H < ATOM 746 1HG ARG C 7 -2.935 4.679 -5.013 1.00 0.00 H < ATOM 747 2HG ARG C 7 -3.544 5.318 -6.559 1.00 0.00 H < ATOM 748 1HD ARG C 7 -4.115 7.411 -5.460 1.00 0.00 H < ATOM 749 2HD ARG C 7 -3.488 6.771 -3.924 1.00 0.00 H < ATOM 750 HE ARG C 7 -1.478 6.535 -5.898 1.00 0.00 H < ATOM 751 1HH1 ARG C 7 -3.192 8.999 -4.071 1.00 0.00 H < ATOM 752 2HH1 ARG C 7 -1.863 10.135 -4.116 1.00 0.00 H < ATOM 753 1HH2 ARG C 7 0.240 8.019 -5.949 1.00 0.00 H < ATOM 754 2HH2 ARG C 7 0.080 9.581 -5.179 1.00 0.00 H < ATOM 755 N ALA C 8 -4.935 2.017 -3.864 1.00 0.00 N < ATOM 756 CA ALA C 8 -4.203 0.974 -3.156 1.00 0.00 C < ATOM 757 C ALA C 8 -4.115 -0.300 -3.987 1.00 0.00 C < ATOM 758 O ALA C 8 -3.030 -0.842 -4.196 1.00 0.00 O < ATOM 759 CB ALA C 8 -4.858 0.685 -1.813 1.00 0.00 C < ATOM 760 H ALA C 8 -5.748 2.425 -3.427 1.00 0.00 H < ATOM 761 HA ALA C 8 -3.187 1.330 -2.983 1.00 0.00 H < ATOM 762 1HB ALA C 8 -4.300 -0.096 -1.296 1.00 0.00 H < ATOM 763 2HB ALA C 8 -4.860 1.591 -1.207 1.00 0.00 H < ATOM 764 3HB ALA C 8 -5.882 0.353 -1.973 1.00 0.00 H < ATOM 765 N ILE C 9 -5.320 -0.774 -4.467 1.00 0.00 N < ATOM 766 CA ILE C 9 -5.299 -1.975 -5.294 1.00 0.00 C < ATOM 767 C ILE C 9 -4.382 -1.801 -6.497 1.00 0.00 C < ATOM 768 O ILE C 9 -3.647 -2.716 -6.868 1.00 0.00 O < ATOM 769 CB ILE C 9 -6.717 -2.335 -5.775 1.00 0.00 C < ATOM 770 CG1 ILE C 9 -7.585 -2.777 -4.595 1.00 0.00 C < ATOM 771 CG2 ILE C 9 -6.658 -3.424 -6.835 1.00 0.00 C < ATOM 772 CD1 ILE C 9 -9.060 -2.860 -4.919 1.00 0.00 C < ATOM 773 H ILE C 9 -6.170 -0.281 -4.236 1.00 0.00 H < ATOM 774 HA ILE C 9 -4.907 -2.794 -4.691 1.00 0.00 H < ATOM 775 HB ILE C 9 -7.191 -1.451 -6.202 1.00 0.00 H < ATOM 776 1HG1 ILE C 9 -7.257 -3.757 -4.249 1.00 0.00 H < ATOM 777 2HG1 ILE C 9 -7.458 -2.079 -3.767 1.00 0.00 H < ATOM 778 1HG2 ILE C 9 -7.668 -3.666 -7.164 1.00 0.00 H < ATOM 779 2HG2 ILE C 9 -6.074 -3.073 -7.685 1.00 0.00 H < ATOM 780 3HG2 ILE C 9 -6.189 -4.314 -6.417 1.00 0.00 H < ATOM 781 1HD1 ILE C 9 -9.610 -3.180 -4.034 1.00 0.00 H < ATOM 782 2HD1 ILE C 9 -9.418 -1.880 -5.235 1.00 0.00 H < ATOM 783 3HD1 ILE C 9 -9.216 -3.580 -5.722 1.00 0.00 H < ATOM 784 N ARG C 10 -4.353 -0.656 -7.177 1.00 0.00 N < ATOM 785 CA ARG C 10 -3.542 -0.399 -8.361 1.00 0.00 C < ATOM 786 C ARG C 10 -2.056 -0.503 -8.044 1.00 0.00 C < ATOM 787 O ARG C 10 -1.293 -1.112 -8.793 1.00 0.00 O < ATOM 788 CB ARG C 10 -3.842 0.981 -8.926 1.00 0.00 C < ATOM 789 CG ARG C 10 -5.213 1.125 -9.568 1.00 0.00 C < ATOM 790 CD ARG C 10 -5.474 2.523 -9.998 1.00 0.00 C < ATOM 791 NE ARG C 10 -6.780 2.664 -10.621 1.00 0.00 N < ATOM 792 CZ ARG C 10 -7.343 3.840 -10.959 1.00 0.00 C < ATOM 793 NH1 ARG C 10 -6.704 4.966 -10.729 1.00 0.00 N < ATOM 794 NH2 ARG C 10 -8.538 3.863 -11.523 1.00 0.00 N < ATOM 795 H ARG C 10 -4.930 0.114 -6.869 1.00 0.00 H < ATOM 796 HA ARG C 10 -3.779 -1.160 -9.105 1.00 0.00 H < ATOM 797 1HB ARG C 10 -3.770 1.723 -8.132 1.00 0.00 H < ATOM 798 2HB ARG C 10 -3.097 1.236 -9.680 1.00 0.00 H < ATOM 799 1HG ARG C 10 -5.274 0.480 -10.444 1.00 0.00 H < ATOM 800 2HG ARG C 10 -5.983 0.838 -8.851 1.00 0.00 H < ATOM 801 1HD ARG C 10 -5.436 3.183 -9.131 1.00 0.00 H < ATOM 802 2HD ARG C 10 -4.717 2.829 -10.719 1.00 0.00 H < ATOM 803 HE ARG C 10 -7.302 1.820 -10.814 1.00 0.00 H < ATOM 804 1HH1 ARG C 10 -5.790 4.949 -10.298 1.00 0.00 H < ATOM 805 2HH1 ARG C 10 -7.126 5.847 -10.983 1.00 0.00 H < ATOM 806 1HH2 ARG C 10 -9.030 2.998 -11.700 1.00 0.00 H < ATOM 807 2HH2 ARG C 10 -8.960 4.744 -11.776 1.00 0.00 H < ATOM 808 N CYX C 11 -1.656 0.113 -6.903 1.00 0.00 N < ATOM 809 CA CYX C 11 -0.272 0.265 -6.468 1.00 0.00 C < ATOM 810 C CYX C 11 0.287 -1.049 -5.940 1.00 0.00 C < ATOM 811 O CYX C 11 1.485 -1.312 -6.045 1.00 0.00 O < ATOM 812 CB CYX C 11 -0.164 1.333 -5.380 1.00 0.00 C < ATOM 813 SG CYX C 11 -0.877 0.843 -3.791 1.00 0.00 S < ATOM 814 H CYX C 11 -2.396 0.487 -6.326 1.00 0.00 H < ATOM 815 HA CYX C 11 0.326 0.579 -7.324 1.00 0.00 H < ATOM 816 1HB CYX C 11 0.884 1.582 -5.217 1.00 0.00 H < ATOM 817 2HB CYX C 11 -0.669 2.241 -5.710 1.00 0.00 H < ATOM 818 N VAL C 12 -0.690 -1.860 -5.357 1.00 0.00 N < ATOM 819 CA VAL C 12 -0.306 -3.203 -4.941 1.00 0.00 C < ATOM 820 C VAL C 12 -0.004 -4.088 -6.143 1.00 0.00 C < ATOM 821 O VAL C 12 0.904 -4.918 -6.103 1.00 0.00 O < ATOM 822 CB VAL C 12 -1.430 -3.845 -4.105 1.00 0.00 C < ATOM 823 CG1 VAL C 12 -1.169 -5.331 -3.913 1.00 0.00 C < ATOM 824 CG2 VAL C 12 -1.543 -3.140 -2.762 1.00 0.00 C < ATOM 825 H VAL C 12 -1.641 -1.554 -5.215 1.00 0.00 H < ATOM 826 HA VAL C 12 0.604 -3.127 -4.346 1.00 0.00 H < ATOM 827 HB VAL C 12 -2.371 -3.751 -4.646 1.00 0.00 H < ATOM 828 1HG1 VAL C 12 -1.973 -5.769 -3.321 1.00 0.00 H < ATOM 829 2HG1 VAL C 12 -1.127 -5.822 -4.886 1.00 0.00 H < ATOM 830 3HG1 VAL C 12 -0.220 -5.470 -3.395 1.00 0.00 H < ATOM 831 1HG2 VAL C 12 -2.340 -3.598 -2.177 1.00 0.00 H < ATOM 832 2HG2 VAL C 12 -0.599 -3.228 -2.224 1.00 0.00 H < ATOM 833 3HG2 VAL C 12 -1.771 -2.086 -2.923 1.00 0.00 H < ATOM 834 N ASP C 13 -0.737 -3.961 -7.263 1.00 0.00 N < ATOM 835 CA ASP C 13 -0.394 -4.670 -8.491 1.00 0.00 C < ATOM 836 C ASP C 13 1.032 -4.358 -8.927 1.00 0.00 C < ATOM 837 O ASP C 13 1.759 -5.240 -9.382 1.00 0.00 O < ATOM 838 CB ASP C 13 -1.368 -4.302 -9.612 1.00 0.00 C < ATOM 839 CG ASP C 13 -2.768 -4.859 -9.387 1.00 0.00 C < ATOM 840 OD1 ASP C 13 -2.922 -5.698 -8.531 1.00 0.00 O < ATOM 841 OD2 ASP C 13 -3.669 -4.440 -10.073 1.00 0.00 O < ATOM 842 H ASP C 13 -1.547 -3.359 -7.255 1.00 0.00 H < ATOM 843 HA ASP C 13 -0.456 -5.740 -8.293 1.00 0.00 H < ATOM 844 1HB ASP C 13 -1.434 -3.217 -9.697 1.00 0.00 H < ATOM 845 2HB ASP C 13 -0.991 -4.683 -10.562 1.00 0.00 H < ATOM 846 N LEU C 14 1.483 -3.104 -8.807 1.00 0.00 N < ATOM 847 CA LEU C 14 2.805 -2.605 -9.165 1.00 0.00 C < ATOM 848 C LEU C 14 3.885 -3.226 -8.288 1.00 0.00 C < ATOM 849 O LEU C 14 4.990 -3.507 -8.752 1.00 0.00 O < ATOM 850 CB LEU C 14 2.849 -1.078 -9.036 1.00 0.00 C < ATOM 851 CG LEU C 14 2.016 -0.299 -10.062 1.00 0.00 C < ATOM 852 CD1 LEU C 14 2.027 1.182 -9.708 1.00 0.00 C < ATOM 853 CD2 LEU C 14 2.580 -0.532 -11.456 1.00 0.00 C < ATOM 854 H LEU C 14 0.870 -2.395 -8.430 1.00 0.00 H < ATOM 855 HA LEU C 14 3.007 -2.893 -10.197 1.00 0.00 H < ATOM 856 1HB LEU C 14 2.494 -0.803 -8.044 1.00 0.00 H < ATOM 857 2HB LEU C 14 3.884 -0.750 -9.132 1.00 0.00 H < ATOM 858 HG LEU C 14 0.981 -0.643 -10.027 1.00 0.00 H < ATOM 859 1HD1 LEU C 14 1.435 1.735 -10.437 1.00 0.00 H < ATOM 860 2HD1 LEU C 14 1.600 1.321 -8.715 1.00 0.00 H < ATOM 861 3HD1 LEU C 14 3.052 1.550 -9.719 1.00 0.00 H < ATOM 862 1HD2 LEU C 14 1.987 0.020 -12.186 1.00 0.00 H < ATOM 863 2HD2 LEU C 14 3.613 -0.188 -11.493 1.00 0.00 H < ATOM 864 3HD2 LEU C 14 2.543 -1.596 -11.690 1.00 0.00 H < ATOM 865 N VAL C 15 3.460 -3.413 -6.977 1.00 0.00 N < ATOM 866 CA VAL C 15 4.320 -4.087 -6.011 1.00 0.00 C < ATOM 867 C VAL C 15 4.598 -5.525 -6.430 1.00 0.00 C < ATOM 868 O VAL C 15 5.733 -5.994 -6.358 1.00 0.00 O < ATOM 869 CB VAL C 15 3.667 -4.078 -4.617 1.00 0.00 C < ATOM 870 CG1 VAL C 15 4.413 -5.009 -3.673 1.00 0.00 C < ATOM 871 CG2 VAL C 15 3.640 -2.660 -4.066 1.00 0.00 C < ATOM 872 H VAL C 15 2.548 -3.077 -6.703 1.00 0.00 H < ATOM 873 HA VAL C 15 5.273 -3.558 -5.980 1.00 0.00 H < ATOM 874 HB VAL C 15 2.647 -4.455 -4.700 1.00 0.00 H < ATOM 875 1HG1 VAL C 15 3.938 -4.991 -2.692 1.00 0.00 H < ATOM 876 2HG1 VAL C 15 4.389 -6.024 -4.069 1.00 0.00 H < ATOM 877 3HG1 VAL C 15 5.448 -4.680 -3.580 1.00 0.00 H < ATOM 878 1HG2 VAL C 15 3.176 -2.661 -3.080 1.00 0.00 H < ATOM 879 2HG2 VAL C 15 4.659 -2.281 -3.988 1.00 0.00 H < ATOM 880 3HG2 VAL C 15 3.066 -2.021 -4.736 1.00 0.00 H < ATOM 881 N ARG C 16 3.529 -6.252 -6.882 1.00 0.00 N < ATOM 882 CA ARG C 16 3.754 -7.621 -7.331 1.00 0.00 C < ATOM 883 C ARG C 16 4.618 -7.655 -8.585 1.00 0.00 C < ATOM 884 O ARG C 16 5.459 -8.539 -8.747 1.00 0.00 O < ATOM 885 CB ARG C 16 2.429 -8.316 -7.612 1.00 0.00 C < ATOM 886 CG ARG C 16 1.576 -8.588 -6.384 1.00 0.00 C < ATOM 887 CD ARG C 16 0.511 -9.585 -6.664 1.00 0.00 C < ATOM 888 NE ARG C 16 -0.289 -9.213 -7.820 1.00 0.00 N < ATOM 889 CZ ARG C 16 -1.354 -8.389 -7.780 1.00 0.00 C < ATOM 890 NH1 ARG C 16 -1.734 -7.861 -6.638 1.00 0.00 N < ATOM 891 NH2 ARG C 16 -2.017 -8.113 -8.889 1.00 0.00 N < ATOM 892 H ARG C 16 2.614 -5.825 -6.895 1.00 0.00 H < ATOM 893 HA ARG C 16 4.287 -8.152 -6.543 1.00 0.00 H < ATOM 894 1HB ARG C 16 1.838 -7.708 -8.296 1.00 0.00 H < ATOM 895 2HB ARG C 16 2.617 -9.271 -8.102 1.00 0.00 H < ATOM 896 1HG ARG C 16 2.206 -8.975 -5.582 1.00 0.00 H < ATOM 897 2HG ARG C 16 1.102 -7.661 -6.058 1.00 0.00 H < ATOM 898 1HD ARG C 16 0.965 -10.555 -6.862 1.00 0.00 H < ATOM 899 2HD ARG C 16 -0.150 -9.662 -5.802 1.00 0.00 H < ATOM 900 HE ARG C 16 -0.027 -9.600 -8.717 1.00 0.00 H < ATOM 901 1HH1 ARG C 16 -1.227 -8.073 -5.790 1.00 0.00 H < ATOM 902 2HH1 ARG C 16 -2.533 -7.244 -6.608 1.00 0.00 H < ATOM 903 1HH2 ARG C 16 -1.725 -8.519 -9.768 1.00 0.00 H < ATOM 904 2HH2 ARG C 16 -2.815 -7.496 -8.859 1.00 0.00 H < ATOM 905 N ASP C 17 4.482 -6.730 -9.532 1.00 0.00 N < ATOM 906 CA ASP C 17 5.285 -6.604 -10.742 1.00 0.00 C < ATOM 907 C ASP C 17 6.724 -6.228 -10.412 1.00 0.00 C < ATOM 908 O ASP C 17 6.996 -5.635 -9.368 1.00 0.00 O < ATOM 909 CB ASP C 17 4.680 -5.558 -11.681 1.00 0.00 C < ATOM 910 CG ASP C 17 3.389 -6.027 -12.337 1.00 0.00 C < ATOM 911 OD1 ASP C 17 3.090 -7.194 -12.249 1.00 0.00 O < ATOM 912 OD2 ASP C 17 2.713 -5.213 -12.921 1.00 0.00 O < ATOM 913 H ASP C 17 3.761 -6.029 -9.435 1.00 0.00 H < ATOM 914 HA ASP C 17 5.299 -7.574 -11.241 1.00 0.00 H < ATOM 915 1HB ASP C 17 4.476 -4.643 -11.124 1.00 0.00 H < ATOM 916 2HB ASP C 17 5.399 -5.312 -12.463 1.00 0.00 H < ATOM 917 N PRO C 18 7.635 -6.606 -11.361 1.00 0.00 N < ATOM 918 CA PRO C 18 9.059 -6.302 -11.285 1.00 0.00 C < ATOM 919 C PRO C 18 9.293 -4.822 -11.013 1.00 0.00 C < ATOM 920 O PRO C 18 8.817 -3.962 -11.755 1.00 0.00 O < ATOM 921 CB PRO C 18 9.572 -6.711 -12.670 1.00 0.00 C < ATOM 922 CG PRO C 18 8.662 -7.816 -13.086 1.00 0.00 C < ATOM 923 CD PRO C 18 7.306 -7.391 -12.588 1.00 0.00 C < ATOM 924 HA PRO C 18 9.481 -6.866 -10.453 1.00 0.00 H < ATOM 925 1HB PRO C 18 9.537 -5.849 -13.353 1.00 0.00 H < ATOM 926 2HB PRO C 18 10.624 -7.026 -12.603 1.00 0.00 H < ATOM 927 1HG PRO C 18 8.692 -7.941 -14.178 1.00 0.00 H < ATOM 928 2HG PRO C 18 8.995 -8.768 -12.647 1.00 0.00 H < ATOM 929 1HD PRO C 18 6.814 -6.768 -13.349 1.00 0.00 H < ATOM 930 2HD PRO C 18 6.701 -8.283 -12.366 1.00 0.00 H < ATOM 931 N ASP C 19 10.070 -4.575 -9.885 1.00 0.00 N < ATOM 932 CA ASP C 19 10.317 -3.183 -9.526 1.00 0.00 C < ATOM 933 C ASP C 19 10.221 -2.274 -10.744 1.00 0.00 C < ATOM 934 O ASP C 19 11.136 -2.223 -11.566 1.00 0.00 O < ATOM 935 CB ASP C 19 11.695 -3.034 -8.877 1.00 0.00 C < ATOM 936 CG ASP C 19 11.934 -1.642 -8.308 1.00 0.00 C < ATOM 937 OD1 ASP C 19 11.094 -0.794 -8.492 1.00 0.00 O < ATOM 938 OD2 ASP C 19 12.955 -1.440 -7.694 1.00 0.00 O < ATOM 939 H ASP C 19 10.433 -5.355 -9.357 1.00 0.00 H < ATOM 940 HA ASP C 19 9.548 -2.875 -8.817 1.00 0.00 H < ATOM 941 1HB ASP C 19 11.800 -3.762 -8.073 1.00 0.00 H < ATOM 942 2HB ASP C 19 12.470 -3.247 -9.615 1.00 0.00 H < ATOM 943 N PRO C 20 9.139 -1.514 -10.941 1.00 0.00 N < ATOM 944 CA PRO C 20 8.968 -0.643 -12.097 1.00 0.00 C < ATOM 945 C PRO C 20 9.741 0.658 -11.926 1.00 0.00 C < ATOM 946 O PRO C 20 10.725 0.714 -11.188 1.00 0.00 O < ATOM 947 CB PRO C 20 7.455 -0.401 -12.125 1.00 0.00 C < ATOM 948 CG PRO C 20 7.052 -0.439 -10.690 1.00 0.00 C < ATOM 949 CD PRO C 20 7.909 -1.521 -10.089 1.00 0.00 C < ATOM 950 HA PRO C 20 9.368 -1.157 -12.971 1.00 0.00 H < ATOM 951 1HB PRO C 20 7.237 0.565 -12.605 1.00 0.00 H < ATOM 952 2HB PRO C 20 6.961 -1.178 -12.728 1.00 0.00 H < ATOM 953 1HG PRO C 20 7.220 0.543 -10.223 1.00 0.00 H < ATOM 954 2HG PRO C 20 5.977 -0.652 -10.603 1.00 0.00 H < ATOM 955 1HD PRO C 20 8.142 -1.266 -9.045 1.00 0.00 H < ATOM 956 2HD PRO C 20 7.379 -2.483 -10.145 1.00 0.00 H < HETATM 957 CM1 TBS C 21 0.483 0.114 -2.877 1.00 0.00 C < HETATM 958 C1 TBS C 21 0.234 0.127 -1.391 1.00 0.00 C < HETATM 959 C2 TBS C 21 1.307 0.120 -0.488 1.00 0.00 C < HETATM 960 H1 TBS C 21 1.405 0.665 -3.100 1.00 0.00 H < HETATM 961 H2 TBS C 21 0.635 -0.917 -3.217 1.00 0.00 H < HETATM 962 H3 TBS C 21 2.327 0.094 -0.868 1.00 0.00 H --- > ATOM 653 N PRO C 1 -15.668 1.722 -1.608 1.00 0.00 N > ATOM 654 CA PRO C 1 -15.897 3.071 -2.112 1.00 0.00 C > ATOM 655 C PRO C 1 -14.744 3.998 -1.748 1.00 0.00 C > ATOM 656 O PRO C 1 -14.682 5.138 -2.209 1.00 0.00 O > ATOM 657 CB PRO C 1 -17.196 3.484 -1.413 1.00 0.00 C > ATOM 658 CG PRO C 1 -17.845 2.191 -1.052 1.00 0.00 C > ATOM 659 CD PRO C 1 -16.699 1.290 -0.677 1.00 0.00 C > ATOM 660 HA PRO C 1 -15.955 3.021 -3.199 1.00 0.00 H > ATOM 661 1HB PRO C 1 -16.969 4.107 -0.535 1.00 0.00 H > ATOM 662 2HB PRO C 1 -17.810 4.095 -2.091 1.00 0.00 H > ATOM 663 1HG PRO C 1 -18.555 2.340 -0.226 1.00 0.00 H > ATOM 664 2HG PRO C 1 -18.424 1.807 -1.905 1.00 0.00 H > ATOM 665 1HD PRO C 1 -16.418 1.471 0.371 1.00 0.00 H > ATOM 666 2HD PRO C 1 -16.994 0.240 -0.823 1.00 0.00 H > ATOM 667 N ILE C 2 -13.817 3.434 -0.879 1.00 0.00 N > ATOM 668 CA ILE C 2 -12.732 4.283 -0.402 1.00 0.00 C > ATOM 669 C ILE C 2 -11.797 4.672 -1.540 1.00 0.00 C > ATOM 670 O ILE C 2 -11.226 3.810 -2.208 1.00 0.00 O > ATOM 671 CB ILE C 2 -11.929 3.578 0.706 1.00 0.00 C > ATOM 672 CG1 ILE C 2 -12.853 3.163 1.853 1.00 0.00 C > ATOM 673 CG2 ILE C 2 -10.818 4.483 1.215 1.00 0.00 C > ATOM 674 CD1 ILE C 2 -13.567 4.321 2.513 1.00 0.00 C > ATOM 675 H ILE C 2 -13.864 2.474 -0.568 1.00 0.00 H > ATOM 676 HA ILE C 2 -13.169 5.198 -0.002 1.00 0.00 H > ATOM 677 HB ILE C 2 -11.488 2.664 0.310 1.00 0.00 H > ATOM 678 1HG1 ILE C 2 -13.604 2.466 1.481 1.00 0.00 H > ATOM 679 2HG1 ILE C 2 -12.275 2.641 2.616 1.00 0.00 H > ATOM 680 1HG2 ILE C 2 -10.260 3.970 1.998 1.00 0.00 H > ATOM 681 2HG2 ILE C 2 -10.146 4.731 0.394 1.00 0.00 H > ATOM 682 3HG2 ILE C 2 -11.250 5.399 1.618 1.00 0.00 H > ATOM 683 1HD1 ILE C 2 -14.202 3.947 3.316 1.00 0.00 H > ATOM 684 2HD1 ILE C 2 -12.832 5.014 2.924 1.00 0.00 H > ATOM 685 3HD1 ILE C 2 -14.180 4.837 1.776 1.00 0.00 H > ATOM 686 N PRO C 3 -11.578 5.956 -1.834 1.00 0.00 N > ATOM 687 CA PRO C 3 -10.720 6.404 -2.924 1.00 0.00 C > ATOM 688 C PRO C 3 -9.313 5.837 -2.786 1.00 0.00 C > ATOM 689 O PRO C 3 -8.704 5.417 -3.770 1.00 0.00 O > ATOM 690 CB PRO C 3 -10.732 7.928 -2.767 1.00 0.00 C > ATOM 691 CG PRO C 3 -12.051 8.221 -2.138 1.00 0.00 C > ATOM 692 CD PRO C 3 -12.259 7.093 -1.163 1.00 0.00 C > ATOM 693 HA PRO C 3 -11.139 6.034 -3.859 1.00 0.00 H > ATOM 694 1HB PRO C 3 -9.882 8.250 -2.147 1.00 0.00 H > ATOM 695 2HB PRO C 3 -10.612 8.408 -3.750 1.00 0.00 H > ATOM 696 1HG PRO C 3 -12.028 9.205 -1.647 1.00 0.00 H > ATOM 697 2HG PRO C 3 -12.837 8.267 -2.906 1.00 0.00 H > ATOM 698 1HD PRO C 3 -11.783 7.344 -0.203 1.00 0.00 H > ATOM 699 2HD PRO C 3 -13.337 6.918 -1.028 1.00 0.00 H > ATOM 700 N ASP C 4 -8.778 5.818 -1.550 1.00 0.00 N > ATOM 701 CA ASP C 4 -7.452 5.332 -1.189 1.00 0.00 C > ATOM 702 C ASP C 4 -7.288 3.861 -1.548 1.00 0.00 C > ATOM 703 O ASP C 4 -6.242 3.447 -2.049 1.00 0.00 O > ATOM 704 CB ASP C 4 -7.197 5.530 0.308 1.00 0.00 C > ATOM 705 CG ASP C 4 -6.933 6.983 0.677 1.00 0.00 C > ATOM 706 OD1 ASP C 4 -6.760 7.780 -0.215 1.00 0.00 O > ATOM 707 OD2 ASP C 4 -6.907 7.283 1.847 1.00 0.00 O > ATOM 708 H ASP C 4 -9.320 6.169 -0.773 1.00 0.00 H > ATOM 709 HA ASP C 4 -6.716 5.899 -1.759 1.00 0.00 H > ATOM 710 1HB ASP C 4 -8.060 5.177 0.873 1.00 0.00 H > ATOM 711 2HB ASP C 4 -6.338 4.931 0.613 1.00 0.00 H > ATOM 712 N ALA C 5 -8.424 3.109 -1.242 1.00 0.00 N > ATOM 713 CA ALA C 5 -8.412 1.675 -1.503 1.00 0.00 C > ATOM 714 C ALA C 5 -8.376 1.387 -2.998 1.00 0.00 C > ATOM 715 O ALA C 5 -7.732 0.437 -3.442 1.00 0.00 O > ATOM 716 CB ALA C 5 -9.623 1.009 -0.866 1.00 0.00 C > ATOM 717 H ALA C 5 -9.230 3.573 -0.847 1.00 0.00 H > ATOM 718 HA ALA C 5 -7.506 1.258 -1.061 1.00 0.00 H > ATOM 719 1HB ALA C 5 -9.599 -0.061 -1.069 1.00 0.00 H > ATOM 720 2HB ALA C 5 -9.603 1.174 0.212 1.00 0.00 H > ATOM 721 3HB ALA C 5 -10.533 1.437 -1.281 1.00 0.00 H > ATOM 722 N ARG C 6 -9.069 2.202 -3.829 1.00 0.00 N > ATOM 723 CA ARG C 6 -9.024 1.992 -5.271 1.00 0.00 C > ATOM 724 C ARG C 6 -7.620 2.218 -5.817 1.00 0.00 C > ATOM 725 O ARG C 6 -7.142 1.459 -6.659 1.00 0.00 O > ATOM 726 CB ARG C 6 -9.997 2.923 -5.979 1.00 0.00 C > ATOM 727 CG ARG C 6 -11.466 2.588 -5.774 1.00 0.00 C > ATOM 728 CD ARG C 6 -12.334 3.313 -6.738 1.00 0.00 C > ATOM 729 NE ARG C 6 -12.327 4.748 -6.501 1.00 0.00 N > ATOM 730 CZ ARG C 6 -13.137 5.383 -5.631 1.00 0.00 C > ATOM 731 NH1 ARG C 6 -14.009 4.699 -4.925 1.00 0.00 N > ATOM 732 NH2 ARG C 6 -13.053 6.694 -5.487 1.00 0.00 N > ATOM 733 H ARG C 6 -9.616 2.956 -3.436 1.00 0.00 H > ATOM 734 HA ARG C 6 -9.297 0.955 -5.470 1.00 0.00 H > ATOM 735 1HB ARG C 6 -9.840 3.944 -5.633 1.00 0.00 H > ATOM 736 2HB ARG C 6 -9.801 2.907 -7.051 1.00 0.00 H > ATOM 737 1HG ARG C 6 -11.619 1.518 -5.913 1.00 0.00 H > ATOM 738 2HG ARG C 6 -11.766 2.869 -4.764 1.00 0.00 H > ATOM 739 1HD ARG C 6 -11.979 3.134 -7.752 1.00 0.00 H > ATOM 740 2HD ARG C 6 -13.359 2.957 -6.643 1.00 0.00 H > ATOM 741 HE ARG C 6 -11.669 5.308 -7.026 1.00 0.00 H > ATOM 742 1HH1 ARG C 6 -14.073 3.696 -5.035 1.00 0.00 H > ATOM 743 2HH1 ARG C 6 -14.616 5.175 -4.273 1.00 0.00 H > ATOM 744 1HH2 ARG C 6 -12.382 7.220 -6.030 1.00 0.00 H > ATOM 745 2HH2 ARG C 6 -13.659 7.170 -4.836 1.00 0.00 H > ATOM 746 N ARG C 7 -6.896 3.249 -5.383 1.00 0.00 N > ATOM 747 CA ARG C 7 -5.504 3.544 -5.702 1.00 0.00 C > ATOM 748 C ARG C 7 -4.573 2.472 -5.150 1.00 0.00 C > ATOM 749 O ARG C 7 -3.607 2.078 -5.803 1.00 0.00 O > ATOM 750 CB ARG C 7 -5.101 4.899 -5.139 1.00 0.00 C > ATOM 751 CG ARG C 7 -3.692 5.346 -5.494 1.00 0.00 C > ATOM 752 CD ARG C 7 -3.414 6.722 -5.009 1.00 0.00 C > ATOM 753 NE ARG C 7 -2.067 7.154 -5.346 1.00 0.00 N > ATOM 754 CZ ARG C 7 -1.526 8.332 -4.977 1.00 0.00 C > ATOM 755 NH1 ARG C 7 -2.229 9.183 -4.264 1.00 0.00 N > ATOM 756 NH2 ARG C 7 -0.290 8.632 -5.334 1.00 0.00 N > ATOM 757 H ARG C 7 -7.322 3.924 -4.763 1.00 0.00 H > ATOM 758 HA ARG C 7 -5.399 3.551 -6.787 1.00 0.00 H > ATOM 759 1HB ARG C 7 -5.790 5.662 -5.500 1.00 0.00 H > ATOM 760 2HB ARG C 7 -5.177 4.879 -4.052 1.00 0.00 H > ATOM 761 1HG ARG C 7 -2.970 4.669 -5.038 1.00 0.00 H > ATOM 762 2HG ARG C 7 -3.568 5.333 -6.578 1.00 0.00 H > ATOM 763 1HD ARG C 7 -4.118 7.418 -5.465 1.00 0.00 H > ATOM 764 2HD ARG C 7 -3.522 6.755 -3.926 1.00 0.00 H > ATOM 765 HE ARG C 7 -1.495 6.525 -5.894 1.00 0.00 H > ATOM 766 1HH1 ARG C 7 -3.175 8.954 -3.991 1.00 0.00 H > ATOM 767 2HH1 ARG C 7 -1.824 10.066 -3.988 1.00 0.00 H > ATOM 768 1HH2 ARG C 7 0.251 7.977 -5.883 1.00 0.00 H > ATOM 769 2HH2 ARG C 7 0.115 9.514 -5.058 1.00 0.00 H > ATOM 770 N ALA C 8 -4.943 2.032 -3.893 1.00 0.00 N > ATOM 771 CA ALA C 8 -4.192 1.003 -3.184 1.00 0.00 C > ATOM 772 C ALA C 8 -4.125 -0.286 -3.993 1.00 0.00 C > ATOM 773 O ALA C 8 -3.050 -0.853 -4.189 1.00 0.00 O > ATOM 774 CB ALA C 8 -4.812 0.739 -1.820 1.00 0.00 C > ATOM 775 H ALA C 8 -5.758 2.433 -3.451 1.00 0.00 H > ATOM 776 HA ALA C 8 -3.172 1.363 -3.046 1.00 0.00 H > ATOM 777 1HB ALA C 8 -4.239 -0.031 -1.303 1.00 0.00 H > ATOM 778 2HB ALA C 8 -4.799 1.657 -1.231 1.00 0.00 H > ATOM 779 3HB ALA C 8 -5.840 0.404 -1.946 1.00 0.00 H > ATOM 780 N ILE C 9 -5.336 -0.747 -4.471 1.00 0.00 N > ATOM 781 CA ILE C 9 -5.334 -1.956 -5.285 1.00 0.00 C > ATOM 782 C ILE C 9 -4.417 -1.806 -6.492 1.00 0.00 C > ATOM 783 O ILE C 9 -3.699 -2.737 -6.858 1.00 0.00 O > ATOM 784 CB ILE C 9 -6.757 -2.301 -5.760 1.00 0.00 C > ATOM 785 CG1 ILE C 9 -7.626 -2.729 -4.575 1.00 0.00 C > ATOM 786 CG2 ILE C 9 -6.714 -3.395 -6.816 1.00 0.00 C > ATOM 787 CD1 ILE C 9 -9.103 -2.794 -4.893 1.00 0.00 C > ATOM 788 H ILE C 9 -6.179 -0.238 -4.245 1.00 0.00 H > ATOM 789 HA ILE C 9 -4.951 -2.774 -4.675 1.00 0.00 H > ATOM 790 HB ILE C 9 -7.222 -1.414 -6.188 1.00 0.00 H > ATOM 791 1HG1 ILE C 9 -7.309 -3.711 -4.227 1.00 0.00 H > ATOM 792 2HG1 ILE C 9 -7.487 -2.030 -3.750 1.00 0.00 H > ATOM 793 1HG2 ILE C 9 -7.729 -3.627 -7.140 1.00 0.00 H > ATOM 794 2HG2 ILE C 9 -6.130 -3.054 -7.669 1.00 0.00 H > ATOM 795 3HG2 ILE C 9 -6.255 -4.289 -6.395 1.00 0.00 H > ATOM 796 1HD1 ILE C 9 -9.653 -3.104 -4.004 1.00 0.00 H > ATOM 797 2HD1 ILE C 9 -9.450 -1.810 -5.211 1.00 0.00 H > ATOM 798 3HD1 ILE C 9 -9.271 -3.514 -5.693 1.00 0.00 H > ATOM 799 N ARG C 10 -4.369 -0.667 -7.179 1.00 0.00 N > ATOM 800 CA ARG C 10 -3.574 -0.439 -8.380 1.00 0.00 C > ATOM 801 C ARG C 10 -2.084 -0.520 -8.078 1.00 0.00 C > ATOM 802 O ARG C 10 -1.318 -1.115 -8.836 1.00 0.00 O > ATOM 803 CB ARG C 10 -3.893 0.920 -8.984 1.00 0.00 C > ATOM 804 CG ARG C 10 -5.276 1.035 -9.606 1.00 0.00 C > ATOM 805 CD ARG C 10 -5.548 2.413 -10.090 1.00 0.00 C > ATOM 806 NE ARG C 10 -6.869 2.527 -10.687 1.00 0.00 N > ATOM 807 CZ ARG C 10 -7.433 3.686 -11.080 1.00 0.00 C > ATOM 808 NH1 ARG C 10 -6.780 4.818 -10.934 1.00 0.00 N > ATOM 809 NH2 ARG C 10 -8.642 3.685 -11.614 1.00 0.00 N > ATOM 810 H ARG C 10 -4.918 0.121 -6.865 1.00 0.00 H > ATOM 811 HA ARG C 10 -3.812 -1.225 -9.097 1.00 0.00 H > ATOM 812 1HB ARG C 10 -3.813 1.687 -8.215 1.00 0.00 H > ATOM 813 2HB ARG C 10 -3.163 1.155 -9.759 1.00 0.00 H > ATOM 814 1HG ARG C 10 -5.352 0.353 -10.453 1.00 0.00 H > ATOM 815 2HG ARG C 10 -6.032 0.777 -8.863 1.00 0.00 H > ATOM 816 1HD ARG C 10 -5.490 3.110 -9.254 1.00 0.00 H > ATOM 817 2HD ARG C 10 -4.809 2.686 -10.842 1.00 0.00 H > ATOM 818 HE ARG C 10 -7.402 1.678 -10.815 1.00 0.00 H > ATOM 819 1HH1 ARG C 10 -5.855 4.819 -10.527 1.00 0.00 H > ATOM 820 2HH1 ARG C 10 -7.202 5.686 -11.229 1.00 0.00 H > ATOM 821 1HH2 ARG C 10 -9.144 2.814 -11.726 1.00 0.00 H > ATOM 822 2HH2 ARG C 10 -9.064 4.553 -11.909 1.00 0.00 H > ATOM 823 N CYX C 11 -1.682 0.100 -6.939 1.00 0.00 N > ATOM 824 CA CYX C 11 -0.298 0.265 -6.513 1.00 0.00 C > ATOM 825 C CYX C 11 0.269 -1.037 -5.964 1.00 0.00 C > ATOM 826 O CYX C 11 1.466 -1.301 -6.078 1.00 0.00 O > ATOM 827 CB CYX C 11 -0.190 1.353 -5.444 1.00 0.00 C > ATOM 828 SG CYX C 11 -0.860 0.874 -3.833 1.00 0.00 S > ATOM 829 H CYX C 11 -2.423 0.466 -6.358 1.00 0.00 H > ATOM 830 HA CYX C 11 0.296 0.567 -7.376 1.00 0.00 H > ATOM 831 1HB CYX C 11 0.856 1.626 -5.306 1.00 0.00 H > ATOM 832 2HB CYX C 11 -0.720 2.245 -5.777 1.00 0.00 H > ATOM 833 N VAL C 12 -0.699 -1.837 -5.353 1.00 0.00 N > ATOM 834 CA VAL C 12 -0.309 -3.171 -4.914 1.00 0.00 C > ATOM 835 C VAL C 12 -0.009 -4.076 -6.102 1.00 0.00 C > ATOM 836 O VAL C 12 0.882 -4.924 -6.039 1.00 0.00 O > ATOM 837 CB VAL C 12 -1.428 -3.801 -4.062 1.00 0.00 C > ATOM 838 CG1 VAL C 12 -1.174 -5.289 -3.868 1.00 0.00 C > ATOM 839 CG2 VAL C 12 -1.520 -3.090 -2.721 1.00 0.00 C > ATOM 840 H VAL C 12 -1.650 -1.528 -5.206 1.00 0.00 H > ATOM 841 HA VAL C 12 0.602 -3.080 -4.324 1.00 0.00 H > ATOM 842 HB VAL C 12 -2.375 -3.703 -4.593 1.00 0.00 H > ATOM 843 1HG1 VAL C 12 -1.974 -5.718 -3.264 1.00 0.00 H > ATOM 844 2HG1 VAL C 12 -1.148 -5.784 -4.838 1.00 0.00 H > ATOM 845 3HG1 VAL C 12 -0.221 -5.432 -3.360 1.00 0.00 H > ATOM 846 1HG2 VAL C 12 -2.313 -3.540 -2.125 1.00 0.00 H > ATOM 847 2HG2 VAL C 12 -0.571 -3.183 -2.193 1.00 0.00 H > ATOM 848 3HG2 VAL C 12 -1.743 -2.035 -2.883 1.00 0.00 H > ATOM 849 N ASP C 13 -0.723 -3.949 -7.233 1.00 0.00 N > ATOM 850 CA ASP C 13 -0.382 -4.684 -8.445 1.00 0.00 C > ATOM 851 C ASP C 13 1.038 -4.371 -8.898 1.00 0.00 C > ATOM 852 O ASP C 13 1.765 -5.255 -9.351 1.00 0.00 O > ATOM 853 CB ASP C 13 -1.367 -4.353 -9.569 1.00 0.00 C > ATOM 854 CG ASP C 13 -2.758 -4.924 -9.325 1.00 0.00 C > ATOM 855 OD1 ASP C 13 -2.891 -5.768 -8.471 1.00 0.00 O > ATOM 856 OD2 ASP C 13 -3.673 -4.511 -9.996 1.00 0.00 O > ATOM 857 H ASP C 13 -1.519 -3.327 -7.245 1.00 0.00 H > ATOM 858 HA ASP C 13 -0.434 -5.750 -8.220 1.00 0.00 H > ATOM 859 1HB ASP C 13 -1.448 -3.271 -9.675 1.00 0.00 H > ATOM 860 2HB ASP C 13 -0.989 -4.747 -10.512 1.00 0.00 H > ATOM 861 N LEU C 14 1.485 -3.114 -8.795 1.00 0.00 N > ATOM 862 CA LEU C 14 2.801 -2.614 -9.172 1.00 0.00 C > ATOM 863 C LEU C 14 3.890 -3.204 -8.284 1.00 0.00 C > ATOM 864 O LEU C 14 5.001 -3.472 -8.743 1.00 0.00 O > ATOM 865 CB LEU C 14 2.833 -1.083 -9.081 1.00 0.00 C > ATOM 866 CG LEU C 14 1.993 -0.338 -10.127 1.00 0.00 C > ATOM 867 CD1 LEU C 14 2.004 1.153 -9.818 1.00 0.00 C > ATOM 868 CD2 LEU C 14 2.550 -0.613 -11.516 1.00 0.00 C > ATOM 869 H LEU C 14 0.873 -2.404 -8.419 1.00 0.00 H > ATOM 870 HA LEU C 14 3.001 -2.926 -10.197 1.00 0.00 H > ATOM 871 1HB LEU C 14 2.475 -0.786 -8.097 1.00 0.00 H > ATOM 872 2HB LEU C 14 3.865 -0.750 -9.186 1.00 0.00 H > ATOM 873 HG LEU C 14 0.960 -0.681 -10.076 1.00 0.00 H > ATOM 874 1HD1 LEU C 14 1.407 1.683 -10.561 1.00 0.00 H > ATOM 875 2HD1 LEU C 14 1.582 1.323 -8.827 1.00 0.00 H > ATOM 876 3HD1 LEU C 14 3.028 1.523 -9.845 1.00 0.00 H > ATOM 877 1HD2 LEU C 14 1.953 -0.083 -12.259 1.00 0.00 H > ATOM 878 2HD2 LEU C 14 3.583 -0.268 -11.568 1.00 0.00 H > ATOM 879 3HD2 LEU C 14 2.514 -1.683 -11.717 1.00 0.00 H > ATOM 880 N VAL C 15 3.466 -3.380 -6.972 1.00 0.00 N > ATOM 881 CA VAL C 15 4.330 -4.039 -5.999 1.00 0.00 C > ATOM 882 C VAL C 15 4.617 -5.479 -6.405 1.00 0.00 C > ATOM 883 O VAL C 15 5.753 -5.944 -6.318 1.00 0.00 O > ATOM 884 CB VAL C 15 3.675 -4.022 -4.605 1.00 0.00 C > ATOM 885 CG1 VAL C 15 4.426 -4.942 -3.653 1.00 0.00 C > ATOM 886 CG2 VAL C 15 3.640 -2.600 -4.067 1.00 0.00 C > ATOM 887 H VAL C 15 2.553 -3.045 -6.700 1.00 0.00 H > ATOM 888 HA VAL C 15 5.279 -3.504 -5.972 1.00 0.00 H > ATOM 889 HB VAL C 15 2.658 -4.406 -4.687 1.00 0.00 H > ATOM 890 1HG1 VAL C 15 3.949 -4.918 -2.673 1.00 0.00 H > ATOM 891 2HG1 VAL C 15 4.407 -5.960 -4.040 1.00 0.00 H > ATOM 892 3HG1 VAL C 15 5.459 -4.606 -3.562 1.00 0.00 H > ATOM 893 1HG2 VAL C 15 3.176 -2.596 -3.081 1.00 0.00 H > ATOM 894 2HG2 VAL C 15 4.657 -2.215 -3.991 1.00 0.00 H > ATOM 895 3HG2 VAL C 15 3.063 -1.969 -4.743 1.00 0.00 H > ATOM 896 N ARG C 16 3.555 -6.213 -6.863 1.00 0.00 N > ATOM 897 CA ARG C 16 3.787 -7.587 -7.292 1.00 0.00 C > ATOM 898 C ARG C 16 4.635 -7.634 -8.557 1.00 0.00 C > ATOM 899 O ARG C 16 5.472 -8.521 -8.722 1.00 0.00 O > ATOM 900 CB ARG C 16 2.467 -8.300 -7.543 1.00 0.00 C > ATOM 901 CG ARG C 16 1.614 -8.521 -6.304 1.00 0.00 C > ATOM 902 CD ARG C 16 0.553 -9.533 -6.541 1.00 0.00 C > ATOM 903 NE ARG C 16 -0.202 -9.254 -7.752 1.00 0.00 N > ATOM 904 CZ ARG C 16 -1.234 -8.391 -7.830 1.00 0.00 C > ATOM 905 NH1 ARG C 16 -1.621 -7.732 -6.760 1.00 0.00 N > ATOM 906 NH2 ARG C 16 -1.856 -8.207 -8.981 1.00 0.00 N > ATOM 907 H ARG C 16 2.640 -5.788 -6.893 1.00 0.00 H > ATOM 908 HA ARG C 16 4.337 -8.100 -6.502 1.00 0.00 H > ATOM 909 1HB ARG C 16 1.873 -7.726 -8.253 1.00 0.00 H > ATOM 910 2HB ARG C 16 2.659 -9.276 -7.989 1.00 0.00 H > ATOM 911 1HG ARG C 16 2.244 -8.871 -5.486 1.00 0.00 H > ATOM 912 2HG ARG C 16 1.136 -7.583 -6.019 1.00 0.00 H > ATOM 913 1HD ARG C 16 1.006 -10.519 -6.641 1.00 0.00 H > ATOM 914 2HD ARG C 16 -0.141 -9.536 -5.701 1.00 0.00 H > ATOM 915 HE ARG C 16 0.067 -9.742 -8.596 1.00 0.00 H > ATOM 916 1HH1 ARG C 16 -1.145 -7.873 -5.880 1.00 0.00 H > ATOM 917 2HH1 ARG C 16 -2.394 -7.086 -6.818 1.00 0.00 H > ATOM 918 1HH2 ARG C 16 -1.558 -8.713 -9.803 1.00 0.00 H > ATOM 919 2HH2 ARG C 16 -2.629 -7.560 -9.038 1.00 0.00 H > ATOM 920 N ASP C 17 4.488 -6.717 -9.509 1.00 0.00 N > ATOM 921 CA ASP C 17 5.288 -6.592 -10.722 1.00 0.00 C > ATOM 922 C ASP C 17 6.720 -6.185 -10.397 1.00 0.00 C > ATOM 923 O ASP C 17 6.985 -5.591 -9.351 1.00 0.00 O > ATOM 924 CB ASP C 17 4.664 -5.568 -11.673 1.00 0.00 C > ATOM 925 CG ASP C 17 3.386 -6.072 -12.330 1.00 0.00 C > ATOM 926 OD1 ASP C 17 3.112 -7.244 -12.230 1.00 0.00 O > ATOM 927 OD2 ASP C 17 2.695 -5.279 -12.924 1.00 0.00 O > ATOM 928 H ASP C 17 3.760 -6.024 -9.417 1.00 0.00 H > ATOM 929 HA ASP C 17 5.320 -7.566 -11.209 1.00 0.00 H > ATOM 930 1HB ASP C 17 4.438 -4.653 -11.125 1.00 0.00 H > ATOM 931 2HB ASP C 17 5.381 -5.313 -12.455 1.00 0.00 H > ATOM 932 N PRO C 18 7.634 -6.537 -11.352 1.00 0.00 N > ATOM 933 CA PRO C 18 9.048 -6.185 -11.292 1.00 0.00 C > ATOM 934 C PRO C 18 9.234 -4.699 -11.016 1.00 0.00 C > ATOM 935 O PRO C 18 8.768 -3.853 -11.778 1.00 0.00 O > ATOM 936 CB PRO C 18 9.558 -6.569 -12.685 1.00 0.00 C > ATOM 937 CG PRO C 18 8.680 -7.701 -13.097 1.00 0.00 C > ATOM 938 CD PRO C 18 7.316 -7.324 -12.582 1.00 0.00 C > ATOM 939 HA PRO C 18 9.500 -6.738 -10.468 1.00 0.00 H > ATOM 940 1HB PRO C 18 9.486 -5.705 -13.363 1.00 0.00 H > ATOM 941 2HB PRO C 18 10.620 -6.850 -12.633 1.00 0.00 H > ATOM 942 1HG PRO C 18 8.702 -7.821 -14.190 1.00 0.00 H > ATOM 943 2HG PRO C 18 9.049 -8.644 -12.667 1.00 0.00 H > ATOM 944 1HD PRO C 18 6.797 -6.712 -13.334 1.00 0.00 H > ATOM 945 2HD PRO C 18 6.742 -8.236 -12.361 1.00 0.00 H > ATOM 946 N ASP C 19 9.957 -4.430 -9.857 1.00 0.00 N > ATOM 947 CA ASP C 19 10.119 -3.034 -9.470 1.00 0.00 C > ATOM 948 C ASP C 19 10.028 -2.112 -10.679 1.00 0.00 C > ATOM 949 O ASP C 19 10.971 -2.004 -11.462 1.00 0.00 O > ATOM 950 CB ASP C 19 11.461 -2.826 -8.763 1.00 0.00 C > ATOM 951 CG ASP C 19 11.618 -1.424 -8.189 1.00 0.00 C > ATOM 952 OD1 ASP C 19 10.761 -0.606 -8.429 1.00 0.00 O > ATOM 953 OD2 ASP C 19 12.592 -1.185 -7.517 1.00 0.00 O > ATOM 954 H ASP C 19 10.342 -5.199 -9.328 1.00 0.00 H > ATOM 955 HA ASP C 19 9.308 -2.775 -8.790 1.00 0.00 H > ATOM 956 1HB ASP C 19 11.561 -3.548 -7.952 1.00 0.00 H > ATOM 957 2HB ASP C 19 12.275 -3.009 -9.465 1.00 0.00 H > ATOM 958 N PRO C 20 8.918 -1.404 -10.910 1.00 0.00 N > ATOM 959 CA PRO C 20 8.755 -0.515 -12.054 1.00 0.00 C > ATOM 960 C PRO C 20 9.418 0.833 -11.804 1.00 0.00 C > ATOM 961 O PRO C 20 10.068 1.035 -10.778 1.00 0.00 O > ATOM 962 CB PRO C 20 7.234 -0.383 -12.174 1.00 0.00 C > ATOM 963 CG PRO C 20 6.748 -0.457 -10.766 1.00 0.00 C > ATOM 964 CD PRO C 20 7.646 -1.475 -10.114 1.00 0.00 C > ATOM 965 HA PRO C 20 9.246 -0.974 -12.912 1.00 0.00 H > ATOM 966 1HB PRO C 20 6.976 0.567 -12.664 1.00 0.00 H > ATOM 967 2HB PRO C 20 6.834 -1.190 -12.806 1.00 0.00 H > ATOM 968 1HG PRO C 20 6.813 0.532 -10.289 1.00 0.00 H > ATOM 969 2HG PRO C 20 5.689 -0.752 -10.745 1.00 0.00 H > ATOM 970 1HD PRO C 20 7.816 -1.196 -9.064 1.00 0.00 H > ATOM 971 2HD PRO C 20 7.181 -2.470 -10.181 1.00 0.00 H > HETATM 972 CM1 TBS C 21 0.569 0.391 -2.862 1.00 0.00 C > HETATM 973 C1 TBS C 21 0.275 0.403 -1.383 1.00 0.00 C > HETATM 974 C2 TBS C 21 1.321 0.396 -0.449 1.00 0.00 C > HETATM 975 H1 TBS C 21 1.400 1.072 -3.077 1.00 0.00 H > HETATM 976 H2 TBS C 21 0.889 -0.613 -3.165 1.00 0.00 H > HETATM 977 H3 TBS C 21 2.352 0.370 -0.799 1.00 0.00 H 1084,1086c1099,1101 < CONECT 1 2 9 945 < CONECT 2 1 3 5 10 < CONECT 3 2 4 13 --- > CONECT 1 2 7 960 > CONECT 2 1 3 5 8 > CONECT 3 2 4 15 1088,1123c1103,1138 < CONECT 5 2 6 11 12 < CONECT 6 5 7 8 < CONECT 7 6 < CONECT 8 6 < CONECT 9 1 < CONECT 10 2 < CONECT 11 5 < CONECT 12 5 < CONECT 13 3 14 20 < CONECT 14 13 15 17 21 < CONECT 15 14 16 29 < CONECT 16 15 < CONECT 17 14 18 19 22 < CONECT 18 17 23 24 25 < CONECT 19 17 26 27 28 < CONECT 20 13 < CONECT 21 14 < CONECT 22 17 < CONECT 23 18 < CONECT 24 18 < CONECT 25 18 < CONECT 26 19 < CONECT 27 19 < CONECT 28 19 < CONECT 29 15 30 35 < CONECT 30 29 31 33 36 < CONECT 31 30 32 43 < CONECT 32 31 < CONECT 33 30 34 37 38 < CONECT 34 33 35 39 40 < CONECT 35 29 34 41 42 < CONECT 36 30 < CONECT 37 33 < CONECT 38 33 < CONECT 39 34 < CONECT 40 34 --- > CONECT 5 2 6 9 10 > CONECT 6 5 7 11 12 > CONECT 7 1 6 13 14 > CONECT 8 2 > CONECT 9 5 > CONECT 10 5 > CONECT 11 6 > CONECT 12 6 > CONECT 13 7 > CONECT 14 7 > CONECT 15 3 16 23 > CONECT 16 15 17 19 24 > CONECT 17 16 18 34 > CONECT 18 17 > CONECT 19 16 20 21 25 > CONECT 20 19 22 26 27 > CONECT 21 19 28 29 30 > CONECT 22 20 31 32 33 > CONECT 23 15 > CONECT 24 16 > CONECT 25 19 > CONECT 26 20 > CONECT 27 20 > CONECT 28 21 > CONECT 29 21 > CONECT 30 21 > CONECT 31 22 > CONECT 32 22 > CONECT 33 22 > CONECT 34 17 35 40 > CONECT 35 34 36 38 41 > CONECT 36 35 37 48 > CONECT 37 36 > CONECT 38 35 39 42 43 > CONECT 39 38 40 44 45 > CONECT 40 34 39 46 47 1125,1163c1140,1178 < CONECT 42 35 < CONECT 43 31 44 51 < CONECT 44 43 45 47 52 < CONECT 45 44 46 55 < CONECT 46 45 < CONECT 47 44 48 53 54 < CONECT 48 47 49 50 < CONECT 49 48 < CONECT 50 48 < CONECT 51 43 < CONECT 52 44 < CONECT 53 47 < CONECT 54 47 < CONECT 55 45 56 60 < CONECT 56 55 57 59 61 < CONECT 57 56 58 65 < CONECT 58 57 < CONECT 59 56 62 63 64 < CONECT 60 55 < CONECT 61 56 < CONECT 62 59 < CONECT 63 59 < CONECT 64 59 < CONECT 65 57 66 76 < CONECT 66 65 67 69 77 < CONECT 67 66 68 89 < CONECT 68 67 < CONECT 69 66 70 78 79 < CONECT 70 69 71 80 81 < CONECT 71 70 72 82 83 < CONECT 72 71 73 84 < CONECT 73 72 74 75 < CONECT 74 73 85 86 < CONECT 75 73 87 88 < CONECT 76 65 < CONECT 77 66 < CONECT 78 69 < CONECT 79 69 < CONECT 80 70 --- > CONECT 42 38 > CONECT 43 38 > CONECT 44 39 > CONECT 45 39 > CONECT 46 40 > CONECT 47 40 > CONECT 48 36 49 56 > CONECT 49 48 50 52 57 > CONECT 50 49 51 60 > CONECT 51 50 > CONECT 52 49 53 58 59 > CONECT 53 52 54 55 > CONECT 54 53 > CONECT 55 53 > CONECT 56 48 > CONECT 57 49 > CONECT 58 52 > CONECT 59 52 > CONECT 60 50 61 65 > CONECT 61 60 62 64 66 > CONECT 62 61 63 70 > CONECT 63 62 > CONECT 64 61 67 68 69 > CONECT 65 60 > CONECT 66 61 > CONECT 67 64 > CONECT 68 64 > CONECT 69 64 > CONECT 70 62 71 81 > CONECT 71 70 72 74 82 > CONECT 72 71 73 94 > CONECT 73 72 > CONECT 74 71 75 83 84 > CONECT 75 74 76 85 86 > CONECT 76 75 77 87 88 > CONECT 77 76 78 89 > CONECT 78 77 79 80 > CONECT 79 78 90 91 > CONECT 80 78 92 93 1166,1187c1181,1202 < CONECT 83 71 < CONECT 84 72 < CONECT 85 74 < CONECT 86 74 < CONECT 87 75 < CONECT 88 75 < CONECT 89 67 90 100 < CONECT 90 89 91 93 101 < CONECT 91 90 92 113 < CONECT 92 91 < CONECT 93 90 94 102 103 < CONECT 94 93 95 104 105 < CONECT 95 94 96 106 107 < CONECT 96 95 97 108 < CONECT 97 96 98 99 < CONECT 98 97 109 110 < CONECT 99 97 111 112 < CONECT 100 89 < CONECT 101 90 < CONECT 102 93 < CONECT 103 93 < CONECT 104 94 --- > CONECT 83 74 > CONECT 84 74 > CONECT 85 75 > CONECT 86 75 > CONECT 87 76 > CONECT 88 76 > CONECT 89 77 > CONECT 90 79 > CONECT 91 79 > CONECT 92 80 > CONECT 93 80 > CONECT 94 72 95 105 > CONECT 95 94 96 98 106 > CONECT 96 95 97 118 > CONECT 97 96 > CONECT 98 95 99 107 108 > CONECT 99 98 100 109 110 > CONECT 100 99 101 111 112 > CONECT 101 100 102 113 > CONECT 102 101 103 104 > CONECT 103 102 114 115 > CONECT 104 102 116 117 1190,1219c1205,1234 < CONECT 107 95 < CONECT 108 96 < CONECT 109 98 < CONECT 110 98 < CONECT 111 99 < CONECT 112 99 < CONECT 113 91 114 118 < CONECT 114 113 115 117 119 < CONECT 115 114 116 123 < CONECT 116 115 < CONECT 117 114 120 121 122 < CONECT 118 113 < CONECT 119 114 < CONECT 120 117 < CONECT 121 117 < CONECT 122 117 < CONECT 123 115 124 131 < CONECT 124 123 125 127 132 < CONECT 125 124 126 142 < CONECT 126 125 < CONECT 127 124 128 129 133 < CONECT 128 127 130 134 135 < CONECT 129 127 136 137 138 < CONECT 130 128 139 140 141 < CONECT 131 123 < CONECT 132 124 < CONECT 133 127 < CONECT 134 128 < CONECT 135 128 < CONECT 136 129 --- > CONECT 107 98 > CONECT 108 98 > CONECT 109 99 > CONECT 110 99 > CONECT 111 100 > CONECT 112 100 > CONECT 113 101 > CONECT 114 103 > CONECT 115 103 > CONECT 116 104 > CONECT 117 104 > CONECT 118 96 119 123 > CONECT 119 118 120 122 124 > CONECT 120 119 121 128 > CONECT 121 120 > CONECT 122 119 125 126 127 > CONECT 123 118 > CONECT 124 119 > CONECT 125 122 > CONECT 126 122 > CONECT 127 122 > CONECT 128 120 129 136 > CONECT 129 128 130 132 137 > CONECT 130 129 131 147 > CONECT 131 130 > CONECT 132 129 133 134 138 > CONECT 133 132 135 139 140 > CONECT 134 132 141 142 143 > CONECT 135 133 144 145 146 > CONECT 136 128 1221,1240c1236,1255 < CONECT 138 129 < CONECT 139 130 < CONECT 140 130 < CONECT 141 130 < CONECT 142 125 143 153 < CONECT 143 142 144 146 154 < CONECT 144 143 145 166 < CONECT 145 144 < CONECT 146 143 147 155 156 < CONECT 147 146 148 157 158 < CONECT 148 147 149 159 160 < CONECT 149 148 150 161 < CONECT 150 149 151 152 < CONECT 151 150 162 163 < CONECT 152 150 164 165 < CONECT 153 142 < CONECT 154 143 < CONECT 155 146 < CONECT 156 146 < CONECT 157 147 --- > CONECT 138 132 > CONECT 139 133 > CONECT 140 133 > CONECT 141 134 > CONECT 142 134 > CONECT 143 134 > CONECT 144 135 > CONECT 145 135 > CONECT 146 135 > CONECT 147 130 148 158 > CONECT 148 147 149 151 159 > CONECT 149 148 150 171 > CONECT 150 149 > CONECT 151 148 152 160 161 > CONECT 152 151 153 162 163 > CONECT 153 152 154 164 165 > CONECT 154 153 155 166 > CONECT 155 154 156 157 > CONECT 156 155 167 168 > CONECT 157 155 169 170 1243,1270c1258,1285 < CONECT 160 148 < CONECT 161 149 < CONECT 162 151 < CONECT 163 151 < CONECT 164 152 < CONECT 165 152 < CONECT 166 144 167 172 < CONECT 167 166 168 170 173 < CONECT 168 167 169 176 < CONECT 169 168 < CONECT 170 167 171 174 175 < CONECT 171 170 315 < CONECT 172 166 < CONECT 173 167 < CONECT 174 170 < CONECT 175 170 < CONECT 176 168 177 183 < CONECT 177 176 178 180 184 < CONECT 178 177 179 192 < CONECT 179 178 < CONECT 180 177 181 182 185 < CONECT 181 180 186 187 188 < CONECT 182 180 189 190 191 < CONECT 183 176 < CONECT 184 177 < CONECT 185 180 < CONECT 186 181 < CONECT 187 181 --- > CONECT 160 151 > CONECT 161 151 > CONECT 162 152 > CONECT 163 152 > CONECT 164 153 > CONECT 165 153 > CONECT 166 154 > CONECT 167 156 > CONECT 168 156 > CONECT 169 157 > CONECT 170 157 > CONECT 171 149 172 177 > CONECT 172 171 173 175 178 > CONECT 173 172 174 181 > CONECT 174 173 > CONECT 175 172 176 179 180 > CONECT 176 175 320 > CONECT 177 171 > CONECT 178 172 > CONECT 179 175 > CONECT 180 175 > CONECT 181 173 182 188 > CONECT 182 181 183 185 189 > CONECT 183 182 184 197 > CONECT 184 183 > CONECT 185 182 186 187 190 > CONECT 186 185 191 192 193 > CONECT 187 185 194 195 196 1273,1300c1288,1315 < CONECT 190 182 < CONECT 191 182 < CONECT 192 178 193 200 < CONECT 193 192 194 196 201 < CONECT 194 193 195 204 < CONECT 195 194 < CONECT 196 193 197 202 203 < CONECT 197 196 198 199 < CONECT 198 197 < CONECT 199 197 < CONECT 200 192 < CONECT 201 193 < CONECT 202 196 < CONECT 203 196 < CONECT 204 194 205 212 < CONECT 205 204 206 208 213 < CONECT 206 205 207 223 < CONECT 207 206 < CONECT 208 205 209 214 215 < CONECT 209 208 210 211 216 < CONECT 210 209 217 218 219 < CONECT 211 209 220 221 222 < CONECT 212 204 < CONECT 213 205 < CONECT 214 208 < CONECT 215 208 < CONECT 216 209 < CONECT 217 210 --- > CONECT 190 185 > CONECT 191 186 > CONECT 192 186 > CONECT 193 186 > CONECT 194 187 > CONECT 195 187 > CONECT 196 187 > CONECT 197 183 198 205 > CONECT 198 197 199 201 206 > CONECT 199 198 200 209 > CONECT 200 199 > CONECT 201 198 202 207 208 > CONECT 202 201 203 204 > CONECT 203 202 > CONECT 204 202 > CONECT 205 197 > CONECT 206 198 > CONECT 207 201 > CONECT 208 201 > CONECT 209 199 210 217 > CONECT 210 209 211 213 218 > CONECT 211 210 212 228 > CONECT 212 211 > CONECT 213 210 214 219 220 > CONECT 214 213 215 216 221 > CONECT 215 214 222 223 224 > CONECT 216 214 225 226 227 > CONECT 217 209 1302,1317c1317,1332 < CONECT 219 210 < CONECT 220 211 < CONECT 221 211 < CONECT 222 211 < CONECT 223 206 224 230 < CONECT 224 223 225 227 231 < CONECT 225 224 226 239 < CONECT 226 225 < CONECT 227 224 228 229 232 < CONECT 228 227 233 234 235 < CONECT 229 227 236 237 238 < CONECT 230 223 < CONECT 231 224 < CONECT 232 227 < CONECT 233 228 < CONECT 234 228 --- > CONECT 219 213 > CONECT 220 213 > CONECT 221 214 > CONECT 222 215 > CONECT 223 215 > CONECT 224 215 > CONECT 225 216 > CONECT 226 216 > CONECT 227 216 > CONECT 228 211 229 235 > CONECT 229 228 230 232 236 > CONECT 230 229 231 244 > CONECT 231 230 > CONECT 232 229 233 234 237 > CONECT 233 232 238 239 240 > CONECT 234 232 241 242 243 1320,1337c1335,1352 < CONECT 237 229 < CONECT 238 229 < CONECT 239 225 240 250 < CONECT 240 239 241 243 251 < CONECT 241 240 242 263 < CONECT 242 241 < CONECT 243 240 244 252 253 < CONECT 244 243 245 254 255 < CONECT 245 244 246 256 257 < CONECT 246 245 247 258 < CONECT 247 246 248 249 < CONECT 248 247 259 260 < CONECT 249 247 261 262 < CONECT 250 239 < CONECT 251 240 < CONECT 252 243 < CONECT 253 243 < CONECT 254 244 --- > CONECT 237 232 > CONECT 238 233 > CONECT 239 233 > CONECT 240 233 > CONECT 241 234 > CONECT 242 234 > CONECT 243 234 > CONECT 244 230 245 255 > CONECT 245 244 246 248 256 > CONECT 246 245 247 268 > CONECT 247 246 > CONECT 248 245 249 257 258 > CONECT 249 248 250 259 260 > CONECT 250 249 251 261 262 > CONECT 251 250 252 263 > CONECT 252 251 253 254 > CONECT 253 252 264 265 > CONECT 254 252 266 267 1340,1369c1355,1384 < CONECT 257 245 < CONECT 258 246 < CONECT 259 248 < CONECT 260 248 < CONECT 261 249 < CONECT 262 249 < CONECT 263 241 264 271 < CONECT 264 263 265 267 272 < CONECT 265 264 266 275 < CONECT 266 265 < CONECT 267 264 268 273 274 < CONECT 268 267 269 270 < CONECT 269 268 < CONECT 270 268 < CONECT 271 263 < CONECT 272 264 < CONECT 273 267 < CONECT 274 267 < CONECT 275 265 276 281 < CONECT 276 275 277 279 282 < CONECT 277 276 278 289 < CONECT 278 277 < CONECT 279 276 280 283 284 < CONECT 280 279 281 285 286 < CONECT 281 275 280 287 288 < CONECT 282 276 < CONECT 283 279 < CONECT 284 279 < CONECT 285 280 < CONECT 286 280 --- > CONECT 257 248 > CONECT 258 248 > CONECT 259 249 > CONECT 260 249 > CONECT 261 250 > CONECT 262 250 > CONECT 263 251 > CONECT 264 253 > CONECT 265 253 > CONECT 266 254 > CONECT 267 254 > CONECT 268 246 269 276 > CONECT 269 268 270 272 277 > CONECT 270 269 271 280 > CONECT 271 270 > CONECT 272 269 273 278 279 > CONECT 273 272 274 275 > CONECT 274 273 > CONECT 275 273 > CONECT 276 268 > CONECT 277 269 > CONECT 278 272 > CONECT 279 272 > CONECT 280 270 281 286 > CONECT 281 280 282 284 287 > CONECT 282 281 283 294 > CONECT 283 282 > CONECT 284 281 285 288 289 > CONECT 285 284 286 290 291 > CONECT 286 280 285 292 293 1371,1395c1386,1410 < CONECT 288 281 < CONECT 289 277 290 297 < CONECT 290 289 291 293 298 < CONECT 291 290 292 301 < CONECT 292 291 < CONECT 293 290 294 299 300 < CONECT 294 293 295 296 < CONECT 295 294 < CONECT 296 294 < CONECT 297 289 < CONECT 298 290 < CONECT 299 293 < CONECT 300 293 < CONECT 301 291 302 307 < CONECT 302 301 303 305 308 < CONECT 303 302 304 322 < CONECT 304 303 < CONECT 305 302 306 309 310 < CONECT 306 305 307 311 312 < CONECT 307 301 306 313 314 < CONECT 308 302 < CONECT 309 305 < CONECT 310 305 < CONECT 311 306 < CONECT 312 306 --- > CONECT 288 284 > CONECT 289 284 > CONECT 290 285 > CONECT 291 285 > CONECT 292 286 > CONECT 293 286 > CONECT 294 282 295 302 > CONECT 295 294 296 298 303 > CONECT 296 295 297 306 > CONECT 297 296 > CONECT 298 295 299 304 305 > CONECT 299 298 300 301 > CONECT 300 299 > CONECT 301 299 > CONECT 302 294 > CONECT 303 295 > CONECT 304 298 > CONECT 305 298 > CONECT 306 296 307 312 > CONECT 307 306 308 310 313 > CONECT 308 307 309 327 > CONECT 309 308 > CONECT 310 307 311 314 315 > CONECT 311 310 312 316 317 > CONECT 312 306 311 318 319 1397,1470c1412,1485 < CONECT 314 307 < CONECT 315 171 316 318 319 < CONECT 316 315 317 959 < CONECT 317 316 320 637 < CONECT 318 315 < CONECT 319 315 < CONECT 320 317 < CONECT 322 303 323 330 < CONECT 323 322 324 326 331 < CONECT 324 323 325 334 < CONECT 325 324 < CONECT 326 323 327 332 333 < CONECT 327 326 328 329 < CONECT 328 327 < CONECT 329 327 < CONECT 330 322 < CONECT 331 323 < CONECT 332 326 < CONECT 333 326 < CONECT 334 324 335 341 < CONECT 335 334 336 338 342 < CONECT 336 335 337 350 < CONECT 337 336 < CONECT 338 335 339 340 343 < CONECT 339 338 344 345 346 < CONECT 340 338 347 348 349 < CONECT 341 334 < CONECT 342 335 < CONECT 343 338 < CONECT 344 339 < CONECT 345 339 < CONECT 346 339 < CONECT 347 340 < CONECT 348 340 < CONECT 349 340 < CONECT 350 336 351 356 < CONECT 351 350 352 354 357 < CONECT 352 351 353 364 < CONECT 353 352 < CONECT 354 351 355 358 359 < CONECT 355 354 356 360 361 < CONECT 356 350 355 362 363 < CONECT 357 351 < CONECT 358 354 < CONECT 359 354 < CONECT 360 355 < CONECT 361 355 < CONECT 362 356 < CONECT 363 356 < CONECT 364 352 365 372 < CONECT 365 364 366 368 373 < CONECT 366 365 367 376 < CONECT 367 366 < CONECT 368 365 369 374 375 < CONECT 369 368 370 371 < CONECT 370 369 < CONECT 371 369 < CONECT 372 364 < CONECT 373 365 < CONECT 374 368 < CONECT 375 368 < CONECT 376 366 377 381 < CONECT 377 376 378 380 382 < CONECT 378 377 379 386 < CONECT 379 378 < CONECT 380 377 383 384 385 < CONECT 381 376 < CONECT 382 377 < CONECT 383 380 < CONECT 384 380 < CONECT 385 380 < CONECT 386 378 387 397 < CONECT 387 386 388 390 398 < CONECT 388 387 389 410 --- > CONECT 314 310 > CONECT 315 310 > CONECT 316 311 > CONECT 317 311 > CONECT 318 312 > CONECT 319 312 > CONECT 320 176 321 323 324 > CONECT 321 320 322 974 > CONECT 322 321 325 647 > CONECT 323 320 > CONECT 324 320 > CONECT 325 322 > CONECT 327 308 328 333 > CONECT 328 327 329 331 334 > CONECT 329 328 330 341 > CONECT 330 329 > CONECT 331 328 332 335 336 > CONECT 332 331 333 337 338 > CONECT 333 327 332 339 340 > CONECT 334 328 > CONECT 335 331 > CONECT 336 331 > CONECT 337 332 > CONECT 338 332 > CONECT 339 333 > CONECT 340 333 > CONECT 341 329 342 349 > CONECT 342 341 343 345 350 > CONECT 343 342 344 360 > CONECT 344 343 > CONECT 345 342 346 347 351 > CONECT 346 345 348 352 353 > CONECT 347 345 354 355 356 > CONECT 348 346 357 358 359 > CONECT 349 341 > CONECT 350 342 > CONECT 351 345 > CONECT 352 346 > CONECT 353 346 > CONECT 354 347 > CONECT 355 347 > CONECT 356 347 > CONECT 357 348 > CONECT 358 348 > CONECT 359 348 > CONECT 360 343 361 366 > CONECT 361 360 362 364 367 > CONECT 362 361 363 374 > CONECT 363 362 > CONECT 364 361 365 368 369 > CONECT 365 364 366 370 371 > CONECT 366 360 365 372 373 > CONECT 367 361 > CONECT 368 364 > CONECT 369 364 > CONECT 370 365 > CONECT 371 365 > CONECT 372 366 > CONECT 373 366 > CONECT 374 362 375 382 > CONECT 375 374 376 378 383 > CONECT 376 375 377 386 > CONECT 377 376 > CONECT 378 375 379 384 385 > CONECT 379 378 380 381 > CONECT 380 379 > CONECT 381 379 > CONECT 382 374 > CONECT 383 375 > CONECT 384 378 > CONECT 385 378 > CONECT 386 376 387 391 > CONECT 387 386 388 390 392 > CONECT 388 387 389 396 1472,1528c1487,1543 < CONECT 390 387 391 399 400 < CONECT 391 390 392 401 402 < CONECT 392 391 393 403 404 < CONECT 393 392 394 405 < CONECT 394 393 395 396 < CONECT 395 394 406 407 < CONECT 396 394 408 409 < CONECT 397 386 < CONECT 398 387 < CONECT 399 390 < CONECT 400 390 < CONECT 401 391 < CONECT 402 391 < CONECT 403 392 < CONECT 404 392 < CONECT 405 393 < CONECT 406 395 < CONECT 407 395 < CONECT 408 396 < CONECT 409 396 < CONECT 410 388 411 421 < CONECT 411 410 412 414 422 < CONECT 412 411 413 434 < CONECT 413 412 < CONECT 414 411 415 423 424 < CONECT 415 414 416 425 426 < CONECT 416 415 417 427 428 < CONECT 417 416 418 429 < CONECT 418 417 419 420 < CONECT 419 418 430 431 < CONECT 420 418 432 433 < CONECT 421 410 < CONECT 422 411 < CONECT 423 414 < CONECT 424 414 < CONECT 425 415 < CONECT 426 415 < CONECT 427 416 < CONECT 428 416 < CONECT 429 417 < CONECT 430 419 < CONECT 431 419 < CONECT 432 420 < CONECT 433 420 < CONECT 434 412 435 439 < CONECT 435 434 436 438 440 < CONECT 436 435 437 444 < CONECT 437 436 < CONECT 438 435 441 442 443 < CONECT 439 434 < CONECT 440 435 < CONECT 441 438 < CONECT 442 438 < CONECT 443 438 < CONECT 444 436 445 452 < CONECT 445 444 446 448 453 < CONECT 446 445 447 463 --- > CONECT 390 387 393 394 395 > CONECT 391 386 > CONECT 392 387 > CONECT 393 390 > CONECT 394 390 > CONECT 395 390 > CONECT 396 388 397 407 > CONECT 397 396 398 400 408 > CONECT 398 397 399 420 > CONECT 399 398 > CONECT 400 397 401 409 410 > CONECT 401 400 402 411 412 > CONECT 402 401 403 413 414 > CONECT 403 402 404 415 > CONECT 404 403 405 406 > CONECT 405 404 416 417 > CONECT 406 404 418 419 > CONECT 407 396 > CONECT 408 397 > CONECT 409 400 > CONECT 410 400 > CONECT 411 401 > CONECT 412 401 > CONECT 413 402 > CONECT 414 402 > CONECT 415 403 > CONECT 416 405 > CONECT 417 405 > CONECT 418 406 > CONECT 419 406 > CONECT 420 398 421 431 > CONECT 421 420 422 424 432 > CONECT 422 421 423 444 > CONECT 423 422 > CONECT 424 421 425 433 434 > CONECT 425 424 426 435 436 > CONECT 426 425 427 437 438 > CONECT 427 426 428 439 > CONECT 428 427 429 430 > CONECT 429 428 440 441 > CONECT 430 428 442 443 > CONECT 431 420 > CONECT 432 421 > CONECT 433 424 > CONECT 434 424 > CONECT 435 425 > CONECT 436 425 > CONECT 437 426 > CONECT 438 426 > CONECT 439 427 > CONECT 440 429 > CONECT 441 429 > CONECT 442 430 > CONECT 443 430 > CONECT 444 422 445 449 > CONECT 445 444 446 448 450 > CONECT 446 445 447 454 1530,1581c1545,1596 < CONECT 448 445 449 450 454 < CONECT 449 448 451 455 456 < CONECT 450 448 457 458 459 < CONECT 451 449 460 461 462 < CONECT 452 444 < CONECT 453 445 < CONECT 454 448 < CONECT 455 449 < CONECT 456 449 < CONECT 457 450 < CONECT 458 450 < CONECT 459 450 < CONECT 460 451 < CONECT 461 451 < CONECT 462 451 < CONECT 463 446 464 474 < CONECT 464 463 465 467 475 < CONECT 465 464 466 487 < CONECT 466 465 < CONECT 467 464 468 476 477 < CONECT 468 467 469 478 479 < CONECT 469 468 470 480 481 < CONECT 470 469 471 482 < CONECT 471 470 472 473 < CONECT 472 471 483 484 < CONECT 473 471 485 486 < CONECT 474 463 < CONECT 475 464 < CONECT 476 467 < CONECT 477 467 < CONECT 478 468 < CONECT 479 468 < CONECT 480 469 < CONECT 481 469 < CONECT 482 470 < CONECT 483 472 < CONECT 484 472 < CONECT 485 473 < CONECT 486 473 < CONECT 487 465 488 493 < CONECT 488 487 489 491 494 < CONECT 489 488 490 497 < CONECT 490 489 < CONECT 491 488 492 495 496 < CONECT 492 491 636 < CONECT 493 487 < CONECT 494 488 < CONECT 495 491 < CONECT 496 491 < CONECT 497 489 498 504 < CONECT 498 497 499 501 505 < CONECT 499 498 500 513 --- > CONECT 448 445 451 452 453 > CONECT 449 444 > CONECT 450 445 > CONECT 451 448 > CONECT 452 448 > CONECT 453 448 > CONECT 454 446 455 462 > CONECT 455 454 456 458 463 > CONECT 456 455 457 473 > CONECT 457 456 > CONECT 458 455 459 460 464 > CONECT 459 458 461 465 466 > CONECT 460 458 467 468 469 > CONECT 461 459 470 471 472 > CONECT 462 454 > CONECT 463 455 > CONECT 464 458 > CONECT 465 459 > CONECT 466 459 > CONECT 467 460 > CONECT 468 460 > CONECT 469 460 > CONECT 470 461 > CONECT 471 461 > CONECT 472 461 > CONECT 473 456 474 484 > CONECT 474 473 475 477 485 > CONECT 475 474 476 497 > CONECT 476 475 > CONECT 477 474 478 486 487 > CONECT 478 477 479 488 489 > CONECT 479 478 480 490 491 > CONECT 480 479 481 492 > CONECT 481 480 482 483 > CONECT 482 481 493 494 > CONECT 483 481 495 496 > CONECT 484 473 > CONECT 485 474 > CONECT 486 477 > CONECT 487 477 > CONECT 488 478 > CONECT 489 478 > CONECT 490 479 > CONECT 491 479 > CONECT 492 480 > CONECT 493 482 > CONECT 494 482 > CONECT 495 483 > CONECT 496 483 > CONECT 497 475 498 503 > CONECT 498 497 499 501 504 > CONECT 499 498 500 507 1583,1587c1598,1602 < CONECT 501 498 502 503 506 < CONECT 502 501 507 508 509 < CONECT 503 501 510 511 512 < CONECT 504 497 < CONECT 505 498 --- > CONECT 501 498 502 505 506 > CONECT 502 501 646 > CONECT 503 497 > CONECT 504 498 > CONECT 505 501 1589,1602c1604,1617 < CONECT 507 502 < CONECT 508 502 < CONECT 509 502 < CONECT 510 503 < CONECT 511 503 < CONECT 512 503 < CONECT 513 499 514 521 < CONECT 514 513 515 517 522 < CONECT 515 514 516 525 < CONECT 516 515 < CONECT 517 514 518 523 524 < CONECT 518 517 519 520 < CONECT 519 518 < CONECT 520 518 --- > CONECT 507 499 508 514 > CONECT 508 507 509 511 515 > CONECT 509 508 510 523 > CONECT 510 509 > CONECT 511 508 512 513 516 > CONECT 512 511 517 518 519 > CONECT 513 511 520 521 522 > CONECT 514 507 > CONECT 515 508 > CONECT 516 511 > CONECT 517 512 > CONECT 518 512 > CONECT 519 512 > CONECT 520 513 1604,1721c1619,1736 < CONECT 522 514 < CONECT 523 517 < CONECT 524 517 < CONECT 525 515 526 533 < CONECT 526 525 527 529 534 < CONECT 527 526 528 544 < CONECT 528 527 < CONECT 529 526 530 535 536 < CONECT 530 529 531 532 537 < CONECT 531 530 538 539 540 < CONECT 532 530 541 542 543 < CONECT 533 525 < CONECT 534 526 < CONECT 535 529 < CONECT 536 529 < CONECT 537 530 < CONECT 538 531 < CONECT 539 531 < CONECT 540 531 < CONECT 541 532 < CONECT 542 532 < CONECT 543 532 < CONECT 544 527 545 551 < CONECT 545 544 546 548 552 < CONECT 546 545 547 560 < CONECT 547 546 < CONECT 548 545 549 550 553 < CONECT 549 548 554 555 556 < CONECT 550 548 557 558 559 < CONECT 551 544 < CONECT 552 545 < CONECT 553 548 < CONECT 554 549 < CONECT 555 549 < CONECT 556 549 < CONECT 557 550 < CONECT 558 550 < CONECT 559 550 < CONECT 560 546 561 571 < CONECT 561 560 562 564 572 < CONECT 562 561 563 584 < CONECT 563 562 < CONECT 564 561 565 573 574 < CONECT 565 564 566 575 576 < CONECT 566 565 567 577 578 < CONECT 567 566 568 579 < CONECT 568 567 569 570 < CONECT 569 568 580 581 < CONECT 570 568 582 583 < CONECT 571 560 < CONECT 572 561 < CONECT 573 564 < CONECT 574 564 < CONECT 575 565 < CONECT 576 565 < CONECT 577 566 < CONECT 578 566 < CONECT 579 567 < CONECT 580 569 < CONECT 581 569 < CONECT 582 570 < CONECT 583 570 < CONECT 584 562 585 592 < CONECT 585 584 586 588 593 < CONECT 586 585 587 596 < CONECT 587 586 < CONECT 588 585 589 594 595 < CONECT 589 588 590 591 < CONECT 590 589 < CONECT 591 589 < CONECT 592 584 < CONECT 593 585 < CONECT 594 588 < CONECT 595 588 < CONECT 596 586 597 602 < CONECT 597 596 598 600 603 < CONECT 598 597 599 610 < CONECT 599 598 < CONECT 600 597 601 604 605 < CONECT 601 600 602 606 607 < CONECT 602 596 601 608 609 < CONECT 603 597 < CONECT 604 600 < CONECT 605 600 < CONECT 606 601 < CONECT 607 601 < CONECT 608 602 < CONECT 609 602 < CONECT 610 598 611 618 < CONECT 611 610 612 614 619 < CONECT 612 611 613 622 < CONECT 613 612 < CONECT 614 611 615 620 621 < CONECT 615 614 616 617 < CONECT 616 615 < CONECT 617 615 < CONECT 618 610 < CONECT 619 611 < CONECT 620 614 < CONECT 621 614 < CONECT 622 612 623 628 < CONECT 623 622 624 626 629 < CONECT 624 623 625 643 < CONECT 625 624 < CONECT 626 623 627 630 631 < CONECT 627 626 628 632 633 < CONECT 628 622 627 634 635 < CONECT 629 623 < CONECT 630 626 < CONECT 631 626 < CONECT 632 627 < CONECT 633 627 < CONECT 634 628 < CONECT 635 628 < CONECT 636 492 637 639 640 < CONECT 637 317 636 638 < CONECT 638 637 641 958 < CONECT 639 636 --- > CONECT 522 513 > CONECT 523 509 524 531 > CONECT 524 523 525 527 532 > CONECT 525 524 526 535 > CONECT 526 525 > CONECT 527 524 528 533 534 > CONECT 528 527 529 530 > CONECT 529 528 > CONECT 530 528 > CONECT 531 523 > CONECT 532 524 > CONECT 533 527 > CONECT 534 527 > CONECT 535 525 536 543 > CONECT 536 535 537 539 544 > CONECT 537 536 538 554 > CONECT 538 537 > CONECT 539 536 540 545 546 > CONECT 540 539 541 542 547 > CONECT 541 540 548 549 550 > CONECT 542 540 551 552 553 > CONECT 543 535 > CONECT 544 536 > CONECT 545 539 > CONECT 546 539 > CONECT 547 540 > CONECT 548 541 > CONECT 549 541 > CONECT 550 541 > CONECT 551 542 > CONECT 552 542 > CONECT 553 542 > CONECT 554 537 555 561 > CONECT 555 554 556 558 562 > CONECT 556 555 557 570 > CONECT 557 556 > CONECT 558 555 559 560 563 > CONECT 559 558 564 565 566 > CONECT 560 558 567 568 569 > CONECT 561 554 > CONECT 562 555 > CONECT 563 558 > CONECT 564 559 > CONECT 565 559 > CONECT 566 559 > CONECT 567 560 > CONECT 568 560 > CONECT 569 560 > CONECT 570 556 571 581 > CONECT 571 570 572 574 582 > CONECT 572 571 573 594 > CONECT 573 572 > CONECT 574 571 575 583 584 > CONECT 575 574 576 585 586 > CONECT 576 575 577 587 588 > CONECT 577 576 578 589 > CONECT 578 577 579 580 > CONECT 579 578 590 591 > CONECT 580 578 592 593 > CONECT 581 570 > CONECT 582 571 > CONECT 583 574 > CONECT 584 574 > CONECT 585 575 > CONECT 586 575 > CONECT 587 576 > CONECT 588 576 > CONECT 589 577 > CONECT 590 579 > CONECT 591 579 > CONECT 592 580 > CONECT 593 580 > CONECT 594 572 595 602 > CONECT 595 594 596 598 603 > CONECT 596 595 597 606 > CONECT 597 596 > CONECT 598 595 599 604 605 > CONECT 599 598 600 601 > CONECT 600 599 > CONECT 601 599 > CONECT 602 594 > CONECT 603 595 > CONECT 604 598 > CONECT 605 598 > CONECT 606 596 607 612 > CONECT 607 606 608 610 613 > CONECT 608 607 609 620 > CONECT 609 608 > CONECT 610 607 611 614 615 > CONECT 611 610 612 616 617 > CONECT 612 606 611 618 619 > CONECT 613 607 > CONECT 614 610 > CONECT 615 610 > CONECT 616 611 > CONECT 617 611 > CONECT 618 612 > CONECT 619 612 > CONECT 620 608 621 628 > CONECT 621 620 622 624 629 > CONECT 622 621 623 632 > CONECT 623 622 > CONECT 624 621 625 630 631 > CONECT 625 624 626 627 > CONECT 626 625 > CONECT 627 625 > CONECT 628 620 > CONECT 629 621 > CONECT 630 624 > CONECT 631 624 > CONECT 632 622 633 638 > CONECT 633 632 634 636 639 > CONECT 634 633 635 653 > CONECT 635 634 > CONECT 636 633 637 640 641 > CONECT 637 636 638 642 643 > CONECT 638 632 637 644 645 > CONECT 639 633 1723,1758c1738,1773 < CONECT 641 638 < CONECT 643 624 644 651 < CONECT 644 643 645 647 652 < CONECT 645 644 646 655 < CONECT 646 645 < CONECT 647 644 648 653 654 < CONECT 648 647 649 650 < CONECT 649 648 < CONECT 650 648 < CONECT 651 643 < CONECT 652 644 < CONECT 653 647 < CONECT 654 647 < CONECT 655 645 656 662 < CONECT 656 655 657 659 663 < CONECT 657 656 658 671 < CONECT 658 657 < CONECT 659 656 660 661 664 < CONECT 660 659 665 666 667 < CONECT 661 659 668 669 670 < CONECT 662 655 < CONECT 663 656 < CONECT 664 659 < CONECT 665 660 < CONECT 666 660 < CONECT 667 660 < CONECT 668 661 < CONECT 669 661 < CONECT 670 661 < CONECT 671 657 672 677 < CONECT 672 671 673 675 678 < CONECT 673 672 674 685 < CONECT 674 673 < CONECT 675 672 676 679 680 < CONECT 676 675 677 681 682 < CONECT 677 671 676 683 684 --- > CONECT 641 636 > CONECT 642 637 > CONECT 643 637 > CONECT 644 638 > CONECT 645 638 > CONECT 646 502 647 649 650 > CONECT 647 322 646 648 > CONECT 648 647 651 973 > CONECT 649 646 > CONECT 650 646 > CONECT 651 648 > CONECT 653 634 654 659 > CONECT 654 653 655 657 660 > CONECT 655 654 656 667 > CONECT 656 655 > CONECT 657 654 658 661 662 > CONECT 658 657 659 663 664 > CONECT 659 653 658 665 666 > CONECT 660 654 > CONECT 661 657 > CONECT 662 657 > CONECT 663 658 > CONECT 664 658 > CONECT 665 659 > CONECT 666 659 > CONECT 667 655 668 675 > CONECT 668 667 669 671 676 > CONECT 669 668 670 686 > CONECT 670 669 > CONECT 671 668 672 673 677 > CONECT 672 671 674 678 679 > CONECT 673 671 680 681 682 > CONECT 674 672 683 684 685 > CONECT 675 667 > CONECT 676 668 > CONECT 677 671 1760,1822c1775,1837 < CONECT 679 675 < CONECT 680 675 < CONECT 681 676 < CONECT 682 676 < CONECT 683 677 < CONECT 684 677 < CONECT 685 673 686 693 < CONECT 686 685 687 689 694 < CONECT 687 686 688 697 < CONECT 688 687 < CONECT 689 686 690 695 696 < CONECT 690 689 691 692 < CONECT 691 690 < CONECT 692 690 < CONECT 693 685 < CONECT 694 686 < CONECT 695 689 < CONECT 696 689 < CONECT 697 687 698 702 < CONECT 698 697 699 701 703 < CONECT 699 698 700 707 < CONECT 700 699 < CONECT 701 698 704 705 706 < CONECT 702 697 < CONECT 703 698 < CONECT 704 701 < CONECT 705 701 < CONECT 706 701 < CONECT 707 699 708 718 < CONECT 708 707 709 711 719 < CONECT 709 708 710 731 < CONECT 710 709 < CONECT 711 708 712 720 721 < CONECT 712 711 713 722 723 < CONECT 713 712 714 724 725 < CONECT 714 713 715 726 < CONECT 715 714 716 717 < CONECT 716 715 727 728 < CONECT 717 715 729 730 < CONECT 718 707 < CONECT 719 708 < CONECT 720 711 < CONECT 721 711 < CONECT 722 712 < CONECT 723 712 < CONECT 724 713 < CONECT 725 713 < CONECT 726 714 < CONECT 727 716 < CONECT 728 716 < CONECT 729 717 < CONECT 730 717 < CONECT 731 709 732 742 < CONECT 732 731 733 735 743 < CONECT 733 732 734 755 < CONECT 734 733 < CONECT 735 732 736 744 745 < CONECT 736 735 737 746 747 < CONECT 737 736 738 748 749 < CONECT 738 737 739 750 < CONECT 739 738 740 741 < CONECT 740 739 751 752 < CONECT 741 739 753 754 --- > CONECT 679 672 > CONECT 680 673 > CONECT 681 673 > CONECT 682 673 > CONECT 683 674 > CONECT 684 674 > CONECT 685 674 > CONECT 686 669 687 692 > CONECT 687 686 688 690 693 > CONECT 688 687 689 700 > CONECT 689 688 > CONECT 690 687 691 694 695 > CONECT 691 690 692 696 697 > CONECT 692 686 691 698 699 > CONECT 693 687 > CONECT 694 690 > CONECT 695 690 > CONECT 696 691 > CONECT 697 691 > CONECT 698 692 > CONECT 699 692 > CONECT 700 688 701 708 > CONECT 701 700 702 704 709 > CONECT 702 701 703 712 > CONECT 703 702 > CONECT 704 701 705 710 711 > CONECT 705 704 706 707 > CONECT 706 705 > CONECT 707 705 > CONECT 708 700 > CONECT 709 701 > CONECT 710 704 > CONECT 711 704 > CONECT 712 702 713 717 > CONECT 713 712 714 716 718 > CONECT 714 713 715 722 > CONECT 715 714 > CONECT 716 713 719 720 721 > CONECT 717 712 > CONECT 718 713 > CONECT 719 716 > CONECT 720 716 > CONECT 721 716 > CONECT 722 714 723 733 > CONECT 723 722 724 726 734 > CONECT 724 723 725 746 > CONECT 725 724 > CONECT 726 723 727 735 736 > CONECT 727 726 728 737 738 > CONECT 728 727 729 739 740 > CONECT 729 728 730 741 > CONECT 730 729 731 732 > CONECT 731 730 742 743 > CONECT 732 730 744 745 > CONECT 733 722 > CONECT 734 723 > CONECT 735 726 > CONECT 736 726 > CONECT 737 727 > CONECT 738 727 > CONECT 739 728 > CONECT 740 728 > CONECT 741 729 1824,1909c1839,1924 < CONECT 743 732 < CONECT 744 735 < CONECT 745 735 < CONECT 746 736 < CONECT 747 736 < CONECT 748 737 < CONECT 749 737 < CONECT 750 738 < CONECT 751 740 < CONECT 752 740 < CONECT 753 741 < CONECT 754 741 < CONECT 755 733 756 760 < CONECT 756 755 757 759 761 < CONECT 757 756 758 765 < CONECT 758 757 < CONECT 759 756 762 763 764 < CONECT 760 755 < CONECT 761 756 < CONECT 762 759 < CONECT 763 759 < CONECT 764 759 < CONECT 765 757 766 773 < CONECT 766 765 767 769 774 < CONECT 767 766 768 784 < CONECT 768 767 < CONECT 769 766 770 771 775 < CONECT 770 769 772 776 777 < CONECT 771 769 778 779 780 < CONECT 772 770 781 782 783 < CONECT 773 765 < CONECT 774 766 < CONECT 775 769 < CONECT 776 770 < CONECT 777 770 < CONECT 778 771 < CONECT 779 771 < CONECT 780 771 < CONECT 781 772 < CONECT 782 772 < CONECT 783 772 < CONECT 784 767 785 795 < CONECT 785 784 786 788 796 < CONECT 786 785 787 808 < CONECT 787 786 < CONECT 788 785 789 797 798 < CONECT 789 788 790 799 800 < CONECT 790 789 791 801 802 < CONECT 791 790 792 803 < CONECT 792 791 793 794 < CONECT 793 792 804 805 < CONECT 794 792 806 807 < CONECT 795 784 < CONECT 796 785 < CONECT 797 788 < CONECT 798 788 < CONECT 799 789 < CONECT 800 789 < CONECT 801 790 < CONECT 802 790 < CONECT 803 791 < CONECT 804 793 < CONECT 805 793 < CONECT 806 794 < CONECT 807 794 < CONECT 808 786 809 814 < CONECT 809 808 810 812 815 < CONECT 810 809 811 818 < CONECT 811 810 < CONECT 812 809 813 816 817 < CONECT 813 812 957 < CONECT 814 808 < CONECT 815 809 < CONECT 816 812 < CONECT 817 812 < CONECT 818 810 819 825 < CONECT 819 818 820 822 826 < CONECT 820 819 821 834 < CONECT 821 820 < CONECT 822 819 823 824 827 < CONECT 823 822 828 829 830 < CONECT 824 822 831 832 833 < CONECT 825 818 < CONECT 826 819 < CONECT 827 822 < CONECT 828 823 --- > CONECT 743 731 > CONECT 744 732 > CONECT 745 732 > CONECT 746 724 747 757 > CONECT 747 746 748 750 758 > CONECT 748 747 749 770 > CONECT 749 748 > CONECT 750 747 751 759 760 > CONECT 751 750 752 761 762 > CONECT 752 751 753 763 764 > CONECT 753 752 754 765 > CONECT 754 753 755 756 > CONECT 755 754 766 767 > CONECT 756 754 768 769 > CONECT 757 746 > CONECT 758 747 > CONECT 759 750 > CONECT 760 750 > CONECT 761 751 > CONECT 762 751 > CONECT 763 752 > CONECT 764 752 > CONECT 765 753 > CONECT 766 755 > CONECT 767 755 > CONECT 768 756 > CONECT 769 756 > CONECT 770 748 771 775 > CONECT 771 770 772 774 776 > CONECT 772 771 773 780 > CONECT 773 772 > CONECT 774 771 777 778 779 > CONECT 775 770 > CONECT 776 771 > CONECT 777 774 > CONECT 778 774 > CONECT 779 774 > CONECT 780 772 781 788 > CONECT 781 780 782 784 789 > CONECT 782 781 783 799 > CONECT 783 782 > CONECT 784 781 785 786 790 > CONECT 785 784 787 791 792 > CONECT 786 784 793 794 795 > CONECT 787 785 796 797 798 > CONECT 788 780 > CONECT 789 781 > CONECT 790 784 > CONECT 791 785 > CONECT 792 785 > CONECT 793 786 > CONECT 794 786 > CONECT 795 786 > CONECT 796 787 > CONECT 797 787 > CONECT 798 787 > CONECT 799 782 800 810 > CONECT 800 799 801 803 811 > CONECT 801 800 802 823 > CONECT 802 801 > CONECT 803 800 804 812 813 > CONECT 804 803 805 814 815 > CONECT 805 804 806 816 817 > CONECT 806 805 807 818 > CONECT 807 806 808 809 > CONECT 808 807 819 820 > CONECT 809 807 821 822 > CONECT 810 799 > CONECT 811 800 > CONECT 812 803 > CONECT 813 803 > CONECT 814 804 > CONECT 815 804 > CONECT 816 805 > CONECT 817 805 > CONECT 818 806 > CONECT 819 808 > CONECT 820 808 > CONECT 821 809 > CONECT 822 809 > CONECT 823 801 824 829 > CONECT 824 823 825 827 830 > CONECT 825 824 826 833 > CONECT 826 825 > CONECT 827 824 828 831 832 > CONECT 828 827 972 1911,1924c1926,1939 < CONECT 830 823 < CONECT 831 824 < CONECT 832 824 < CONECT 833 824 < CONECT 834 820 835 842 < CONECT 835 834 836 838 843 < CONECT 836 835 837 846 < CONECT 837 836 < CONECT 838 835 839 844 845 < CONECT 839 838 840 841 < CONECT 840 839 < CONECT 841 839 < CONECT 842 834 < CONECT 843 835 --- > CONECT 830 824 > CONECT 831 827 > CONECT 832 827 > CONECT 833 825 834 840 > CONECT 834 833 835 837 841 > CONECT 835 834 836 849 > CONECT 836 835 > CONECT 837 834 838 839 842 > CONECT 838 837 843 844 845 > CONECT 839 837 846 847 848 > CONECT 840 833 > CONECT 841 834 > CONECT 842 837 > CONECT 843 838 1927,1952c1942,1967 < CONECT 846 836 847 854 < CONECT 847 846 848 850 855 < CONECT 848 847 849 865 < CONECT 849 848 < CONECT 850 847 851 856 857 < CONECT 851 850 852 853 858 < CONECT 852 851 859 860 861 < CONECT 853 851 862 863 864 < CONECT 854 846 < CONECT 855 847 < CONECT 856 850 < CONECT 857 850 < CONECT 858 851 < CONECT 859 852 < CONECT 860 852 < CONECT 861 852 < CONECT 862 853 < CONECT 863 853 < CONECT 864 853 < CONECT 865 848 866 872 < CONECT 866 865 867 869 873 < CONECT 867 866 868 881 < CONECT 868 867 < CONECT 869 866 870 871 874 < CONECT 870 869 875 876 877 < CONECT 871 869 878 879 880 --- > CONECT 846 839 > CONECT 847 839 > CONECT 848 839 > CONECT 849 835 850 857 > CONECT 850 849 851 853 858 > CONECT 851 850 852 861 > CONECT 852 851 > CONECT 853 850 854 859 860 > CONECT 854 853 855 856 > CONECT 855 854 > CONECT 856 854 > CONECT 857 849 > CONECT 858 850 > CONECT 859 853 > CONECT 860 853 > CONECT 861 851 862 869 > CONECT 862 861 863 865 870 > CONECT 863 862 864 880 > CONECT 864 863 > CONECT 865 862 866 871 872 > CONECT 866 865 867 868 873 > CONECT 867 866 874 875 876 > CONECT 868 866 877 878 879 > CONECT 869 861 > CONECT 870 862 > CONECT 871 865 1955,2043c1970,2073 < CONECT 874 869 < CONECT 875 870 < CONECT 876 870 < CONECT 877 870 < CONECT 878 871 < CONECT 879 871 < CONECT 880 871 < CONECT 881 867 882 892 < CONECT 882 881 883 885 893 < CONECT 883 882 884 905 < CONECT 884 883 < CONECT 885 882 886 894 895 < CONECT 886 885 887 896 897 < CONECT 887 886 888 898 899 < CONECT 888 887 889 900 < CONECT 889 888 890 891 < CONECT 890 889 901 902 < CONECT 891 889 903 904 < CONECT 892 881 < CONECT 893 882 < CONECT 894 885 < CONECT 895 885 < CONECT 896 886 < CONECT 897 886 < CONECT 898 887 < CONECT 899 887 < CONECT 900 888 < CONECT 901 890 < CONECT 902 890 < CONECT 903 891 < CONECT 904 891 < CONECT 905 883 906 913 < CONECT 906 905 907 909 914 < CONECT 907 906 908 917 < CONECT 908 907 < CONECT 909 906 910 915 916 < CONECT 910 909 911 912 < CONECT 911 910 < CONECT 912 910 < CONECT 913 905 < CONECT 914 906 < CONECT 915 909 < CONECT 916 909 < CONECT 917 907 918 923 < CONECT 918 917 919 921 924 < CONECT 919 918 920 931 < CONECT 920 919 < CONECT 921 918 922 925 926 < CONECT 922 921 923 927 928 < CONECT 923 917 922 929 930 < CONECT 924 918 < CONECT 925 921 < CONECT 926 921 < CONECT 927 922 < CONECT 928 922 < CONECT 929 923 < CONECT 930 923 < CONECT 931 919 932 939 < CONECT 932 931 933 935 940 < CONECT 933 932 934 943 < CONECT 934 933 < CONECT 935 932 936 941 942 < CONECT 936 935 937 938 < CONECT 937 936 < CONECT 938 936 < CONECT 939 931 < CONECT 940 932 < CONECT 941 935 < CONECT 942 935 < CONECT 943 933 944 949 < CONECT 944 943 945 947 950 < CONECT 945 1 944 946 < CONECT 946 945 < CONECT 947 944 948 951 952 < CONECT 948 947 949 953 954 < CONECT 949 943 948 955 956 < CONECT 950 944 < CONECT 951 947 < CONECT 952 947 < CONECT 953 948 < CONECT 954 948 < CONECT 955 949 < CONECT 956 949 < CONECT 957 813 958 960 961 < CONECT 958 638 957 959 < CONECT 959 316 958 962 < CONECT 960 957 < CONECT 961 957 < CONECT 962 959 --- > CONECT 874 867 > CONECT 875 867 > CONECT 876 867 > CONECT 877 868 > CONECT 878 868 > CONECT 879 868 > CONECT 880 863 881 887 > CONECT 881 880 882 884 888 > CONECT 882 881 883 896 > CONECT 883 882 > CONECT 884 881 885 886 889 > CONECT 885 884 890 891 892 > CONECT 886 884 893 894 895 > CONECT 887 880 > CONECT 888 881 > CONECT 889 884 > CONECT 890 885 > CONECT 891 885 > CONECT 892 885 > CONECT 893 886 > CONECT 894 886 > CONECT 895 886 > CONECT 896 882 897 907 > CONECT 897 896 898 900 908 > CONECT 898 897 899 920 > CONECT 899 898 > CONECT 900 897 901 909 910 > CONECT 901 900 902 911 912 > CONECT 902 901 903 913 914 > CONECT 903 902 904 915 > CONECT 904 903 905 906 > CONECT 905 904 916 917 > CONECT 906 904 918 919 > CONECT 907 896 > CONECT 908 897 > CONECT 909 900 > CONECT 910 900 > CONECT 911 901 > CONECT 912 901 > CONECT 913 902 > CONECT 914 902 > CONECT 915 903 > CONECT 916 905 > CONECT 917 905 > CONECT 918 906 > CONECT 919 906 > CONECT 920 898 921 928 > CONECT 921 920 922 924 929 > CONECT 922 921 923 932 > CONECT 923 922 > CONECT 924 921 925 930 931 > CONECT 925 924 926 927 > CONECT 926 925 > CONECT 927 925 > CONECT 928 920 > CONECT 929 921 > CONECT 930 924 > CONECT 931 924 > CONECT 932 922 933 938 > CONECT 933 932 934 936 939 > CONECT 934 933 935 946 > CONECT 935 934 > CONECT 936 933 937 940 941 > CONECT 937 936 938 942 943 > CONECT 938 932 937 944 945 > CONECT 939 933 > CONECT 940 936 > CONECT 941 936 > CONECT 942 937 > CONECT 943 937 > CONECT 944 938 > CONECT 945 938 > CONECT 946 934 947 954 > CONECT 947 946 948 950 955 > CONECT 948 947 949 958 > CONECT 949 948 > CONECT 950 947 951 956 957 > CONECT 951 950 952 953 > CONECT 952 951 > CONECT 953 951 > CONECT 954 946 > CONECT 955 947 > CONECT 956 950 > CONECT 957 950 > CONECT 958 948 959 964 > CONECT 959 958 960 962 965 > CONECT 960 1 959 961 > CONECT 961 960 > CONECT 962 959 963 966 967 > CONECT 963 962 964 968 969 > CONECT 964 958 963 970 971 > CONECT 965 959 > CONECT 966 962 > CONECT 967 962 > CONECT 968 963 > CONECT 969 963 > CONECT 970 964 > CONECT 971 964 > CONECT 972 828 973 975 976 > CONECT 973 648 972 974 > CONECT 974 321 973 977 > CONECT 975 972 > CONECT 976 972 > CONECT 977 974 2048,2081c2078,2111 < pose -265.348 57.8125 152.872 0.55392 -14.7363 0.69423 -26.1044 0 -0.17344 -2.03796 0 -2.50658 4.44655 58.8984 -8.01634 0 -8.78117 -52.4263 < ASP_1 -3.84438 0.39363 2.93092 0.01223 -0.02087 0 0 0 -0.08672 0 0 -0.38876 0.20701 6.58298 -0.50195 0 -4.89006 0.39402 < VAL_2 -11.0249 2.04073 5.59858 0.04801 -0.0192 0.00818 0 0 0 0 0 -0.97165 0.01991 0.20831 -0.69599 0 2.93893 -1.84911 < PRO_3 -11.6069 1.43584 6.60706 0.00349 -0.75944 0.0953 0 0 0 0 0 0.19167 0.00045 0.23288 -0.19713 0 -5.25145 -9.24825 < ASP_4 -9.18628 1.60964 5.40872 0.01313 -0.65583 0 0 0 0 0 0 -0.38631 0.0141 4.95775 0.1711 0 -4.89006 -2.94405 < ALA_5 -11.7238 1.52785 5.93084 0.00253 -0.10564 0 0 0 0 0 0 -0.69993 0.02452 0 -0.51966 0 9.82123 4.25791 < ARG_6 -16.9171 1.04185 11.8927 0.04004 -1.19949 0 0 0 -0.08672 0 0 -0.70957 0.64269 4.99943 -0.31019 0 -0.97308 -1.57941 < ARG_7 -12.4967 0.60929 8.30304 0.03561 -3.02053 0 0 0 0 -0.96331 0 -0.79634 0.02045 6.37835 -0.34216 0 -0.97308 -3.24538 < ALA_8 -13.9448 4.97717 8.12117 0.00275 -0.875 0 0 0 0 0 0 0.05438 0.02874 0 -0.27878 0 9.82123 7.9068 < ILE_9 -12.1115 0.7568 7.79276 0.07738 -0.24459 0 0 0 0 0 0 0.03443 0.06142 0.57609 -0.00466 0 3.2418 0.1799 < ARG_10 -12.5354 1.18133 7.83998 0.02915 -0.65512 0 0 0 0 0 0 -0.56892 0.82961 4.83086 -0.28809 0 -0.97308 -0.30971 < CYX_11 -15.0028 4.28491 8.56829 0.00624 -0.78318 0 0 0 0 0 0 -0.48889 0.75067 4.30758 0.62643 0 1.33138 3.6006 < VAL_12 -16.3057 2.45903 9.66846 0.06889 -1.60165 0 0 0 0 0 0 -0.31584 0.97357 1.15837 0.10378 0 2.93893 -0.85215 < ASP_13 -17.4272 1.65522 14.1766 0.0121 -3.11697 0 0 0 0 -0.05568 0 -0.26143 4e-05 4.85099 0.12546 0 -4.89006 -4.93095 < LEU_14 -15.6625 2.10846 6.49592 0.02593 0.69167 0 0 0 0 0 0 -0.4895 0.38745 0.57844 -0.47151 0 2.28338 -4.05223 < VAL_15 -14.7408 2.481 5.20871 0.06444 0.34448 0 0 0 0 0 0 -0.05738 0.06001 0.39954 -0.07215 0 2.93893 -3.37317 < ARG_16 -12.801 1.0892 10.2981 0.04423 -3.47682 0 0 0 0 -0.05568 0 -0.83091 0.21153 6.44237 -0.35964 0 -0.97308 -0.41165 < ASP_17 -10.6593 2.01511 7.87805 0.01286 0.74993 0.00079 0 0 0 0 0 -0.68916 0.13242 5.45304 0.18333 0 -4.89006 0.18696 < PRO_18 -5.03712 5.81731 2.95181 0.00554 0.82809 0.14405 0 0 0 0 0 -0.34343 0.04856 0.27072 -1.88408 0 -5.25145 -2.44999 < ASP_19 -6.26957 3.76728 5.66833 0.03818 1.17285 0.00635 0 0 0 0 0 2.85067 0.03341 6.40196 -2.06596 0 -4.89006 6.71343 < PRO_20 -11.0299 4.82872 5.62698 0.00964 1.13605 0.43957 0 0 0 0 0 2.36029 0 0.2687 -1.23448 0 -5.25145 -2.84592 < TBMBSYMM_21 -6.06681 4.9495 0.66331 0.00154 -0.00809 0 0 0 0 0 0 0 0 0 0 0 0 -0.46055 < ASP_22 -1.81661 1.32688 1.38195 0 -0.1712 0 0 0 0 0 0 0 0 0 0 0 0 0.72101 < VAL_23 -2.98139 0.07955 0.29966 0 0.18622 0 0 0 0 0 0 0 0 0 0 0 0 -2.41596 < PRO_24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 < ASP_25 -1.38335 0.01346 1.74282 0 -2.32809 0 0 0 0 -0.96331 0 0 0 0 0 0 0 -2.91848 < ALA_26 -2.61619 0.82131 -0.13015 0 0.02903 0 0 0 0 0 0 0 0 0 0 0 0 -1.896 < ARG_27 -1.16261 6e-05 1.59273 0 -0.83617 0 0 0 0 0 0 0 0 0 0 0 0 -0.40598 < ARG_28 -0.00207 0 0.00197 0 -0.00244 0 0 0 0 0 0 0 0 0 0 0 0 -0.00254 < ALA_29 -3.01208 1.31312 -0.03518 0 0.04866 0 0 0 0 0 0 0 0 0 0 0 0 -1.68548 < ILE_30 -3.40208 0.04069 0.54029 0 -0.09301 0 0 0 0 0 0 0 0 0 0 0 0 -2.91411 < ARG_31 0 0 0 0 6e-05 0 0 0 0 0 0 0 0 0 0 0 0 6e-05 < CYX_32 -0.55778 2.04383 0.2824 0 0.01566 0 0 0 0 0 0 0 0 0 0 0 0 1.78412 < VAL_33 -1.53001 0.02385 -0.44543 0 0.04247 0 0 0 0 0 0 0 0 0 0 0 0 -1.90912 --- > pose -268.698 57.1653 151.94 0.58759 -16.4026 47.2988 -24.8416 0 -0.43109 -2.39849 0 -3.6646 5.18071 63.1637 -6.20527 0 -8.8397 -6.14524 > PRO_1 -4.59655 0.48711 2.81018 0.0046 -0.59081 0.44432 0 0 -0.21554 0 0 0.13182 0.34527 6.02332 0.2277 0 -5.25145 -0.18004 > ILE_2 -11.2553 1.77742 5.10383 0.07603 -0.57185 0.00014 0 0 0 0 0 -0.85282 0.03265 3.42583 -0.27933 0 3.2418 0.69835 > PRO_3 -11.7165 1.44349 6.64837 0.00358 -0.73024 0.0447 0 0 0 0 0 0.09357 0.00363 0.2456 0.20485 0 -5.25145 -9.01041 > ASP_4 -9.1996 1.37769 5.42119 0.01313 -0.70711 0 0 0 0 0 0 -0.39314 0.02835 5.02243 0.16923 0 -4.89006 -3.1579 > ALA_5 -11.6677 1.39295 5.89851 0.00256 -0.13277 0 0 0 0 0 0 -0.77726 0.08658 0 -0.51319 0 9.82123 4.11093 > ARG_6 -16.6395 1.06941 11.7318 0.03998 -1.10037 0 0 0 -0.21554 0 0 -0.70454 0.69151 5.05174 -0.30825 0 -0.97308 -1.35682 > ARG_7 -12.305 0.53372 8.15904 0.03641 -2.97783 0 0 0 0 -0.87294 0 -0.78585 0.00152 6.3218 -0.33743 0 -0.97308 -3.19965 > ALA_8 -13.8308 4.45365 8.02535 0.00276 -0.92298 0 0 0 0 0 0 -0.10191 0.05506 0 -0.35711 0 9.82123 7.14523 > ILE_9 -12.1044 0.74245 7.75167 0.0782 -0.24992 0 0 0 0 0 0 0.01293 0.1584 0.59896 0.00104 0 3.2418 0.23109 > ARG_10 -12.2078 1.02094 7.62874 0.02904 -0.66646 0 0 0 0 0 0 -0.67111 0.72853 4.64333 -0.29409 0 -0.97308 -0.76199 > CYX_11 -14.8275 3.46506 8.48999 0.00647 -0.7902 0 0 0 0 0 0 -0.45188 0.75884 4.55377 0.62832 0 1.33138 3.16427 > VAL_12 -15.9843 2.11616 9.51388 0.07255 -1.57574 0 0 0 0 0 0 -0.35132 0.88456 1.69145 0.19238 0 2.93893 -0.50141 > ASP_13 -17.5797 1.49628 14.327 0.01207 -3.27768 0 0 0 0 -0.3263 0 -0.38837 0.00013 4.8029 0.12831 0 -4.89006 -5.69538 > LEU_14 -15.9977 1.97939 6.49402 0.0265 0.68719 0 0 0 0 0 0 -0.50566 0.5282 0.55002 -0.47673 0 2.28338 -4.43134 > VAL_15 -14.8279 2.29467 5.21227 0.06474 0.32213 0 0 0 0 0 0 -0.07528 0.03595 0.41457 -0.03755 0 2.93893 -3.6575 > ARG_16 -13.0568 0.97865 10.5504 0.04603 -3.6451 0 0 0 0 -0.3263 0 -0.82403 0.35794 7.61424 -0.38072 0 -0.97308 0.34117 > ASP_17 -10.7296 1.99944 7.85326 0.01289 0.73078 0.00123 0 0 0 0 0 -0.65714 0.24713 5.51166 0.17503 0 -4.89006 0.25462 > PRO_18 -5.03863 5.79514 2.94253 0.00582 0.78988 0.14227 0 0 0 0 0 -0.1178 0.22571 0.26136 -1.81164 0 -5.25145 -2.05682 > ASP_19 -7.20844 3.43835 6.28477 0.04202 0.87755 0.00826 0 0 0 0 0 2.83267 0.01056 6.29848 -1.93741 0 -4.89006 5.75674 > PRO_20 -11.8294 5.45154 5.10579 0.01086 1.32065 23.7115 0 0 0 0 0 0.92253 0.00018 0.13228 -1.19869 0 -5.25145 18.3759 > TBMBSYMM_21 -5.73003 5.1768 0.58803 0.00136 0.00264 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 > PRO_22 -1.57719 1.75274 0.22507 0 0.01429 22.9463 0 0 0 0 0 0 0 0 0 0 0 23.3612 > ILE_23 -3.62038 0.67557 0.66579 0 0.28162 0 0 0 0 0 0 0 0 0 0 0 0 -1.9974 > PRO_24 -0.00095 0 0.00025 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 > ASP_25 -1.32183 0.00939 1.71085 0 -2.28482 0 0 0 0 -0.87294 0 0 0 0 0 0 0 -2.75935 > ALA_26 -2.76404 0.89099 0.01402 0 -0.04266 0 0 0 0 0 0 0 0 0 0 0 0 -1.90168 > ARG_27 -1.76602 0.04753 2.28754 0 -1.18114 0 0 0 0 0 0 0 0 0 0 0 0 -0.61209 > ARG_28 -0.00407 0 0.00278 0 -0.0022 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 > ALA_29 -3.03819 1.44043 -0.02787 0 0.05491 0 0 0 0 0 0 0 0 0 0 0 0 -1.57072 > ILE_30 -3.72191 0.04142 0.67771 0 -0.08034 0 0 0 0 0 0 0 0 0 0 0 0 -3.08312 > ARG_31 0 0 0 0 0.00014 0 0 0 0 0 0 0 0 0 0 0 0 0.00014 > CYX_32 -0.56671 2.69666 0.28795 0 0.01321 0 0 0 0 0 0 0 0 0 0 0 0 2.43112 > VAL_33 -1.50792 0.00194 -0.45545 0 0.04014 0 0 0 0 0 0 0 0 0 0 0 0 -1.92129 2085c2115 < ARG_37 0 0 0 0 0.00075 0 0 0 0 0 0 0 0 0 0 0 0 0.00075 --- > ARG_37 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2090,2092c2120,2122 < TBMBSYMM_42 -0.48882 1.11986 0.01059 0 -0.00888 0 0 0 0 0 0 0 0 0 0 0 0 0.63275 < ASP_43 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 < VAL_44 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 --- > TBMBSYMM_42 -0.47618 1.11835 0.0112 0 -0.00753 0 0 0 0 0 0 0 0 0 0 0 0 0.64585 > PRO_43 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 > ILE_44 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2117c2147 < bad_linker_filter 3.64013 --- > bad_linker_filter 3.91229 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/score_sorted.sc /home/benchmark/working_dir/commits:20478/threefold_symm_peptide_design/score_sorted.sc 3,4c3,4 < SCORE: -52.426 3.640 0.000 -265.348 58.898 -14.736 0.554 57.812 152.872 0.000 -0.173 0.000 -2.038 -26.104 139.199 4.447 -8.016 0.694 -2.507 -8.781 0.000 S_0003 < SCORE: -114.963 3.480 0.000 -279.715 74.313 -33.231 0.528 30.569 156.293 0.000 -1.632 0.000 -4.680 -27.852 121.794 5.276 -6.914 0.147 -5.561 -22.504 0.000 S_0001 --- > SCORE: -6.145 3.912 0.000 -268.698 63.164 -16.403 0.588 57.165 151.940 0.000 -0.431 0.000 -2.398 -24.842 139.199 5.181 -6.205 47.299 -3.665 -8.840 0.000 S_0003 > SCORE: -115.079 3.460 0.000 -279.936 72.219 -31.266 0.546 30.605 156.265 0.000 -1.645 0.000 -3.640 -27.929 121.794 4.716 -6.899 0.148 -5.759 -22.504 0.000 S_0001