make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0342' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0342.t06.str2 mkdir -p decoys rm decoys/read-pdb+servers.under cd decoys; shopt -s nullglob ; for x in ../*.ts-submitted* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in *.pdb* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in ../*mer/decoys/*.pdb* ; \ do echo ReadConformPDB $x chain A >> read-pdb+servers.under ; \ y=${x#../} ;\ z=${y/decoys} ;\ a=${z/T0342.} ;\ b=${a%.gz} ;\ c=${b%.pdb} ;\ echo NameConform $c >> read-pdb+servers.under ; \ done cd decoys; shopt -s nullglob ; for x in servers/*.pdb.gz ; do \ echo ReadConformPDB $x >> read-pdb+servers.under ; \ y=${x%.pdb.gz} ; \ z=${y#servers/} ; \ echo NameConform $z >> read-pdb+servers.under ; \ echo SCWRLConform >> read-pdb+servers.under ; \ echo NameConform $z-scwrl >> read-pdb+servers.under ; \ done chgrp protein decoys/read-pdb+servers.under chmod g+w decoys/read-pdb+servers.under rm -f decoys/evaluate.anglevector.rdb sed -e s/XXX0000/T0342/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2i5tA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183425408 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.628 sec, elapsed time= 5.716 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 5.694 sec, elapsed time= 5.809 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0342 numbered 1 through 188 Created new target T0342 from T0342.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2i5tA expands to /projects/compbio/data/pdb/2i5t.pdb.gz 2i5tA:Skipped atom 273, because occupancy 0.5 <= existing 0.500 in 2i5tA Skipped atom 275, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 277, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 279, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 281, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 283, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 285, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 287, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 289, because occupancy 0.500 <= existing 0.500 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 622, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 624, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 626, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 628, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 630, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 632, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 634, because occupancy 0.500 <= existing 0.500 in 2i5tA Skipped atom 636, because occupancy 0.500 <= existing 0.500 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 733, because occupancy 0.350 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 734, because occupancy 0.300 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 736, because occupancy 0.350 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 737, because occupancy 0.300 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 739, because occupancy 0.350 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 740, because occupancy 0.300 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 742, because occupancy 0.350 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 743, because occupancy 0.300 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 745, because occupancy 0.350 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 746, because occupancy 0.300 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 748, because occupancy 0.350 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 749, because occupancy 0.300 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 751, because occupancy 0.350 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 752, because occupancy 0.300 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 754, because occupancy 0.350 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 755, because occupancy 0.300 <= existing 0.350 in 2i5tA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 169 residues and 1343 atoms. # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 8.159 sec, elapsed time= 9.034 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 170 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -52.959 # GDT_score(maxd=8.000,maxw=2.900)= -54.552 # GDT_score(maxd=8.000,maxw=3.200)= -51.764 # GDT_score(maxd=8.000,maxw=3.500)= -49.020 # GDT_score(maxd=10.000,maxw=3.800)= -51.633 # GDT_score(maxd=10.000,maxw=4.000)= -49.893 # GDT_score(maxd=10.000,maxw=4.200)= -48.181 # GDT_score(maxd=12.000,maxw=4.300)= -51.609 # GDT_score(maxd=12.000,maxw=4.500)= -49.907 # GDT_score(maxd=12.000,maxw=4.700)= -48.253 # GDT_score(maxd=14.000,maxw=5.200)= -47.954 # GDT_score(maxd=14.000,maxw=5.500)= -45.720 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0342.model1-real.pdb for output Error: Couldn't open file T0342.model1-real.pdb for output superimposing iter= 0 total_weight= 2019.000 rmsd (weighted)= 8.752 (unweighted)= 23.730 superimposing iter= 1 total_weight= 5793.882 rmsd (weighted)= 3.516 (unweighted)= 23.942 superimposing iter= 2 total_weight= 3580.569 rmsd (weighted)= 1.969 (unweighted)= 23.996 superimposing iter= 3 total_weight= 2391.722 rmsd (weighted)= 1.437 (unweighted)= 23.996 superimposing iter= 4 total_weight= 1665.872 rmsd (weighted)= 1.275 (unweighted)= 23.994 superimposing iter= 5 total_weight= 1424.120 rmsd (weighted)= 1.228 (unweighted)= 23.993 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N SER A 1 17.668 72.546 -6.324 1.00 0.00 ATOM 2 CA SER A 1 16.859 72.006 -5.217 1.00 0.00 ATOM 3 CB SER A 1 17.724 71.514 -4.133 1.00 0.00 ATOM 4 OG SER A 1 18.420 72.563 -3.438 1.00 0.00 ATOM 5 O SER A 1 15.039 73.333 -5.751 1.00 0.00 ATOM 6 C SER A 1 15.873 73.065 -4.858 1.00 0.00 ATOM 7 N ALA A 2 15.963 73.689 -3.732 1.00 0.00 ATOM 8 CA ALA A 2 15.033 74.755 -3.391 1.00 0.00 ATOM 9 CB ALA A 2 15.397 75.410 -2.099 1.00 0.00 ATOM 10 O ALA A 2 14.323 76.550 -4.815 1.00 0.00 ATOM 11 C ALA A 2 15.271 75.928 -4.332 1.00 0.00 ATOM 12 N ASN A 3 16.517 76.186 -4.569 1.00 0.00 ATOM 13 CA ASN A 3 16.903 77.276 -5.477 1.00 0.00 ATOM 14 CB ASN A 3 18.420 77.578 -5.448 1.00 0.00 ATOM 15 CG ASN A 3 18.850 78.542 -6.539 1.00 0.00 ATOM 16 ND2 ASN A 3 19.786 78.114 -7.364 1.00 0.00 ATOM 17 OD1 ASN A 3 18.385 79.680 -6.606 1.00 0.00 ATOM 18 O ASN A 3 15.899 77.851 -7.566 1.00 0.00 ATOM 19 C ASN A 3 16.402 76.971 -6.903 1.00 0.00 ATOM 20 N SER A 4 16.577 75.760 -7.435 1.00 0.00 ATOM 21 CA SER A 4 16.116 75.458 -8.781 1.00 0.00 ATOM 22 CB SER A 4 16.288 74.094 -9.249 1.00 0.00 ATOM 23 OG SER A 4 15.652 73.183 -8.381 1.00 0.00 ATOM 24 O SER A 4 14.053 76.181 -9.793 1.00 0.00 ATOM 25 C SER A 4 14.611 75.621 -8.839 1.00 0.00 ATOM 26 N GLY A 5 13.920 75.050 -7.842 1.00 0.00 ATOM 27 CA GLY A 5 12.477 75.131 -7.772 1.00 0.00 ATOM 28 O GLY A 5 11.022 76.958 -8.297 1.00 0.00 ATOM 29 C GLY A 5 12.026 76.577 -7.684 1.00 0.00 ATOM 30 N CYS A 6 12.777 77.416 -6.960 1.00 0.00 ATOM 31 CA CYS A 6 12.398 78.827 -6.829 1.00 0.00 ATOM 32 CB CYS A 6 13.226 79.545 -5.885 1.00 0.00 ATOM 33 SG CYS A 6 12.605 81.225 -5.570 1.00 0.00 ATOM 34 O CYS A 6 11.560 80.239 -8.590 1.00 0.00 ATOM 35 C CYS A 6 12.505 79.573 -8.173 1.00 0.00 ATOM 36 N LYS A 7 13.630 79.453 -8.794 1.00 0.00 ATOM 37 CA LYS A 7 13.878 80.104 -10.088 1.00 0.00 ATOM 38 CB LYS A 7 15.323 79.913 -10.572 1.00 0.00 ATOM 39 CG LYS A 7 15.518 78.695 -11.466 1.00 0.00 ATOM 40 CD LYS A 7 16.905 78.649 -12.093 1.00 0.00 ATOM 41 CE LYS A 7 16.962 77.625 -13.225 1.00 0.00 ATOM 42 NZ LYS A 7 16.559 76.260 -12.778 1.00 0.00 ATOM 43 O LYS A 7 12.400 80.466 -11.949 1.00 0.00 ATOM 44 C LYS A 7 12.890 79.654 -11.164 1.00 0.00 ATOM 45 N ASP A 8 12.541 78.371 -11.161 1.00 0.00 ATOM 46 CA ASP A 8 11.634 77.853 -12.174 1.00 0.00 ATOM 47 CB ASP A 8 11.352 76.398 -12.057 1.00 0.00 ATOM 48 CG ASP A 8 12.506 75.561 -12.578 1.00 0.00 ATOM 49 OD1 ASP A 8 13.164 75.987 -13.548 1.00 0.00 ATOM 50 OD2 ASP A 8 12.739 74.466 -12.021 1.00 0.00 ATOM 51 O ASP A 8 9.697 78.948 -13.113 1.00 0.00 ATOM 52 C ASP A 8 10.243 78.504 -12.107 1.00 0.00 ATOM 53 N VAL A 9 9.558 78.557 -10.895 1.00 0.00 ATOM 54 CA VAL A 9 8.207 79.127 -10.760 1.00 0.00 ATOM 55 CB VAL A 9 7.466 78.679 -9.467 1.00 0.00 ATOM 56 CG1 VAL A 9 7.188 77.183 -9.527 1.00 0.00 ATOM 57 CG2 VAL A 9 8.282 79.018 -8.237 1.00 0.00 ATOM 58 O VAL A 9 7.163 81.261 -11.086 1.00 0.00 ATOM 59 C VAL A 9 8.208 80.651 -10.846 1.00 0.00 ATOM 60 N THR A 10 9.370 81.274 -10.669 1.00 0.00 ATOM 61 CA THR A 10 9.448 82.729 -10.728 1.00 0.00 ATOM 62 CB THR A 10 10.814 83.239 -10.234 1.00 0.00 ATOM 63 CG2 THR A 10 10.887 84.739 -10.390 1.00 0.00 ATOM 64 OG1 THR A 10 10.954 82.891 -8.855 1.00 0.00 ATOM 65 O THR A 10 8.514 84.239 -12.338 1.00 0.00 ATOM 66 C THR A 10 9.191 83.232 -12.149 1.00 0.00 ATOM 67 N GLY A 11 9.731 82.531 -13.150 1.00 0.00 ATOM 68 CA GLY A 11 9.522 82.960 -14.525 1.00 0.00 ATOM 69 O GLY A 11 7.480 83.843 -15.454 1.00 0.00 ATOM 70 C GLY A 11 8.033 82.900 -14.869 1.00 0.00 ATOM 71 N PRO A 12 7.394 81.789 -14.508 1.00 0.00 ATOM 72 CA PRO A 12 5.965 81.613 -14.789 1.00 0.00 ATOM 73 CB PRO A 12 5.714 80.245 -15.245 1.00 0.00 ATOM 74 CG PRO A 12 6.938 79.473 -14.836 1.00 0.00 ATOM 75 CD PRO A 12 8.099 80.464 -14.890 1.00 0.00 ATOM 76 O PRO A 12 4.263 81.946 -13.125 1.00 0.00 ATOM 77 C PRO A 12 5.042 82.465 -13.923 1.00 0.00 ATOM 78 N ASP A 13 5.254 83.843 -14.008 1.00 0.00 ATOM 79 CA ASP A 13 4.582 84.791 -13.128 1.00 0.00 ATOM 80 CB ASP A 13 5.071 86.199 -13.424 1.00 0.00 ATOM 81 CG ASP A 13 4.575 87.185 -12.423 1.00 0.00 ATOM 82 OD1 ASP A 13 4.912 87.037 -11.240 1.00 0.00 ATOM 83 OD2 ASP A 13 3.826 88.130 -12.707 1.00 0.00 ATOM 84 O ASP A 13 2.368 85.005 -12.220 1.00 0.00 ATOM 85 C ASP A 13 3.059 84.822 -13.227 1.00 0.00 ATOM 86 N GLU A 14 2.532 84.659 -14.432 1.00 0.00 ATOM 87 CA GLU A 14 1.095 84.762 -14.632 1.00 0.00 ATOM 88 CB GLU A 14 0.746 85.020 -16.076 1.00 0.00 ATOM 89 CG GLU A 14 1.243 86.408 -16.503 1.00 0.00 ATOM 90 CD GLU A 14 1.098 86.686 -17.994 1.00 0.00 ATOM 91 OE1 GLU A 14 0.535 85.810 -18.702 1.00 0.00 ATOM 92 OE2 GLU A 14 1.555 87.777 -18.450 1.00 0.00 ATOM 93 O GLU A 14 -0.628 83.514 -13.516 1.00 0.00 ATOM 94 C GLU A 14 0.420 83.478 -14.160 1.00 0.00 ATOM 95 N GLU A 15 1.007 82.343 -14.479 1.00 0.00 ATOM 96 CA GLU A 15 0.455 81.049 -14.105 1.00 0.00 ATOM 97 CB GLU A 15 0.869 80.011 -15.208 1.00 0.00 ATOM 98 CG GLU A 15 0.401 80.306 -16.624 1.00 0.00 ATOM 99 CD GLU A 15 -1.098 80.507 -16.732 1.00 0.00 ATOM 100 OE1 GLU A 15 -1.854 79.617 -16.291 1.00 0.00 ATOM 101 OE2 GLU A 15 -1.540 81.550 -17.265 1.00 0.00 ATOM 102 O GLU A 15 -0.092 79.919 -12.045 1.00 0.00 ATOM 103 C GLU A 15 0.640 80.740 -12.613 1.00 0.00 ATOM 104 N SER A 16 1.633 81.360 -11.996 1.00 0.00 ATOM 105 CA SER A 16 1.939 81.197 -10.574 1.00 0.00 ATOM 106 CB SER A 16 3.024 80.139 -10.321 1.00 0.00 ATOM 107 OG SER A 16 4.288 80.443 -10.944 1.00 0.00 ATOM 108 O SER A 16 3.192 83.224 -10.692 1.00 0.00 ATOM 109 C SER A 16 2.406 82.544 -10.033 1.00 0.00 ATOM 110 N PHE A 17 1.962 82.922 -8.852 1.00 0.00 ATOM 111 CA PHE A 17 2.363 84.174 -8.261 1.00 0.00 ATOM 112 CB PHE A 17 1.100 84.935 -7.854 1.00 0.00 ATOM 113 CG PHE A 17 0.195 85.270 -9.004 1.00 0.00 ATOM 114 CD1 PHE A 17 -0.852 84.431 -9.346 1.00 0.00 ATOM 115 CD2 PHE A 17 0.390 86.421 -9.745 1.00 0.00 ATOM 116 CE1 PHE A 17 -1.686 84.739 -10.406 1.00 0.00 ATOM 117 CE2 PHE A 17 -0.443 86.729 -10.805 1.00 0.00 ATOM 118 CZ PHE A 17 -1.477 85.893 -11.136 1.00 0.00 ATOM 119 O PHE A 17 3.089 83.020 -6.284 1.00 0.00 ATOM 120 C PHE A 17 3.168 84.041 -6.979 1.00 0.00 ATOM 121 N LEU A 18 3.869 85.083 -6.691 1.00 0.00 ATOM 122 CA LEU A 18 4.716 85.112 -5.496 1.00 0.00 ATOM 123 CB LEU A 18 6.204 85.081 -5.856 1.00 0.00 ATOM 124 CG LEU A 18 7.181 84.979 -4.682 1.00 0.00 ATOM 125 CD1 LEU A 18 8.527 84.451 -5.149 1.00 0.00 ATOM 126 CD2 LEU A 18 7.400 86.344 -4.047 1.00 0.00 ATOM 127 O LEU A 18 4.468 87.483 -5.224 1.00 0.00 ATOM 128 C LEU A 18 4.419 86.372 -4.694 1.00 0.00 ATOM 129 N TYR A 19 4.121 86.185 -3.410 1.00 0.00 ATOM 130 CA TYR A 19 3.809 87.287 -2.502 1.00 0.00 ATOM 131 CB TYR A 19 2.401 87.170 -1.957 1.00 0.00 ATOM 132 CG TYR A 19 1.317 87.676 -2.898 1.00 0.00 ATOM 133 CD1 TYR A 19 0.564 88.792 -2.565 1.00 0.00 ATOM 134 CD2 TYR A 19 1.028 87.007 -4.084 1.00 0.00 ATOM 135 CE1 TYR A 19 -0.427 89.256 -3.420 1.00 0.00 ATOM 136 CE2 TYR A 19 0.013 87.474 -4.951 1.00 0.00 ATOM 137 CZ TYR A 19 -0.697 88.594 -4.578 1.00 0.00 ATOM 138 OH TYR A 19 -1.728 89.071 -5.423 1.00 0.00 ATOM 139 O TYR A 19 4.914 86.198 -0.688 1.00 0.00 ATOM 140 C TYR A 19 4.650 87.260 -1.230 1.00 0.00 ATOM 141 N PHE A 20 5.021 88.421 -0.755 1.00 0.00 ATOM 142 CA PHE A 20 5.773 88.562 0.469 1.00 0.00 ATOM 143 CB PHE A 20 6.710 89.768 0.381 1.00 0.00 ATOM 144 CG PHE A 20 7.585 89.945 1.588 1.00 0.00 ATOM 145 CD1 PHE A 20 8.697 89.140 1.777 1.00 0.00 ATOM 146 CD2 PHE A 20 7.301 90.911 2.535 1.00 0.00 ATOM 147 CE1 PHE A 20 9.506 89.305 2.884 1.00 0.00 ATOM 148 CE2 PHE A 20 8.106 91.073 3.643 1.00 0.00 ATOM 149 CZ PHE A 20 9.205 90.275 3.823 1.00 0.00 ATOM 150 O PHE A 20 3.959 89.677 1.578 1.00 0.00 ATOM 151 C PHE A 20 4.786 88.752 1.607 1.00 0.00 ATOM 152 N ALA A 21 4.858 87.890 2.590 1.00 0.00 ATOM 153 CA ALA A 21 3.924 87.913 3.686 1.00 0.00 ATOM 154 CB ALA A 21 3.572 86.497 4.114 1.00 0.00 ATOM 155 O ALA A 21 5.700 88.829 5.020 1.00 0.00 ATOM 156 C ALA A 21 4.480 88.645 4.883 1.00 0.00 ATOM 157 N TYR A 22 3.598 89.017 5.782 1.00 0.00 ATOM 158 CA TYR A 22 3.967 89.861 6.881 1.00 0.00 ATOM 159 CB TYR A 22 3.706 91.335 6.554 1.00 0.00 ATOM 160 CG TYR A 22 2.287 91.621 6.118 1.00 0.00 ATOM 161 CD1 TYR A 22 1.338 92.058 7.034 1.00 0.00 ATOM 162 CD2 TYR A 22 1.901 91.458 4.795 1.00 0.00 ATOM 163 CE1 TYR A 22 0.038 92.323 6.647 1.00 0.00 ATOM 164 CE2 TYR A 22 0.607 91.719 4.388 1.00 0.00 ATOM 165 CZ TYR A 22 -0.325 92.154 5.327 1.00 0.00 ATOM 166 OH TYR A 22 -1.620 92.421 4.939 1.00 0.00 ATOM 167 O TYR A 22 3.796 89.384 9.228 1.00 0.00 ATOM 168 C TYR A 22 3.191 89.555 8.174 1.00 0.00 ATOM 169 N GLY A 23 1.802 89.575 8.075 1.00 0.00 ATOM 170 CA GLY A 23 0.979 89.388 9.234 1.00 0.00 ATOM 171 O GLY A 23 0.996 87.042 9.619 1.00 0.00 ATOM 172 C GLY A 23 0.342 88.030 9.293 1.00 0.00 ATOM 173 N SER A 24 -0.919 87.989 8.934 1.00 0.00 ATOM 174 CA SER A 24 -1.751 86.806 9.043 1.00 0.00 ATOM 175 CB SER A 24 -3.184 87.095 8.699 1.00 0.00 ATOM 176 OG SER A 24 -3.317 87.501 7.347 1.00 0.00 ATOM 177 O SER A 24 -1.627 84.514 8.512 1.00 0.00 ATOM 178 C SER A 24 -1.253 85.644 8.211 1.00 0.00 ATOM 179 N ASN A 25 -0.529 85.887 7.127 1.00 0.00 ATOM 180 CA ASN A 25 -0.144 84.824 6.205 1.00 0.00 ATOM 181 CB ASN A 25 -0.276 85.227 4.737 1.00 0.00 ATOM 182 CG ASN A 25 -1.720 85.339 4.292 1.00 0.00 ATOM 183 ND2 ASN A 25 -2.141 86.555 3.951 1.00 0.00 ATOM 184 OD1 ASN A 25 -2.447 84.348 4.256 1.00 0.00 ATOM 185 O ASN A 25 1.836 83.578 5.666 1.00 0.00 ATOM 186 C ASN A 25 1.299 84.400 6.431 1.00 0.00 ATOM 187 N LEU A 26 1.948 84.934 7.442 1.00 0.00 ATOM 188 CA LEU A 26 3.295 84.547 7.797 1.00 0.00 ATOM 189 CB LEU A 26 3.839 85.624 8.816 1.00 0.00 ATOM 190 CG LEU A 26 5.335 85.525 9.068 1.00 0.00 ATOM 191 CD1 LEU A 26 6.108 86.676 8.453 1.00 0.00 ATOM 192 CD2 LEU A 26 5.558 85.497 10.568 1.00 0.00 ATOM 193 O LEU A 26 4.395 82.461 8.153 1.00 0.00 ATOM 194 C LEU A 26 3.326 83.077 8.147 1.00 0.00 ATOM 195 N LEU A 27 2.089 82.538 8.505 1.00 0.00 ATOM 196 CA LEU A 27 2.007 81.152 8.947 1.00 0.00 ATOM 197 CB LEU A 27 1.114 81.038 10.199 1.00 0.00 ATOM 198 CG LEU A 27 1.309 82.037 11.349 1.00 0.00 ATOM 199 CD1 LEU A 27 0.159 81.941 12.328 1.00 0.00 ATOM 200 CD2 LEU A 27 2.648 81.808 12.050 1.00 0.00 ATOM 201 O LEU A 27 0.458 80.413 7.305 1.00 0.00 ATOM 202 C LEU A 27 1.495 80.183 7.887 1.00 0.00 ATOM 203 N THR A 28 2.216 79.081 7.623 1.00 0.00 ATOM 204 CA THR A 28 1.812 78.115 6.592 1.00 0.00 ATOM 205 CB THR A 28 2.927 77.087 6.313 1.00 0.00 ATOM 206 CG2 THR A 28 4.185 77.787 5.824 1.00 0.00 ATOM 207 OG1 THR A 28 3.232 76.373 7.516 1.00 0.00 ATOM 208 O THR A 28 -0.162 76.936 6.041 1.00 0.00 ATOM 209 C THR A 28 0.568 77.327 6.948 1.00 0.00 ATOM 210 N GLU A 29 0.331 77.129 8.241 1.00 0.00 ATOM 211 CA GLU A 29 -0.832 76.369 8.692 1.00 0.00 ATOM 212 CB GLU A 29 -0.809 76.186 10.209 1.00 0.00 ATOM 213 CG GLU A 29 0.286 75.254 10.706 1.00 0.00 ATOM 214 CD GLU A 29 0.356 75.193 12.218 1.00 0.00 ATOM 215 OE1 GLU A 29 -0.402 75.934 12.878 1.00 0.00 ATOM 216 OE2 GLU A 29 1.170 74.404 12.742 1.00 0.00 ATOM 217 O GLU A 29 -3.028 76.484 7.719 1.00 0.00 ATOM 218 C GLU A 29 -2.103 77.097 8.260 1.00 0.00 ATOM 219 N ARG A 30 -2.114 78.382 8.455 1.00 0.00 ATOM 220 CA ARG A 30 -3.286 79.160 8.068 1.00 0.00 ATOM 221 CB ARG A 30 -3.223 80.537 8.778 1.00 0.00 ATOM 222 CG ARG A 30 -3.358 80.446 10.306 1.00 0.00 ATOM 223 CD ARG A 30 -3.120 81.791 10.962 1.00 0.00 ATOM 224 NE ARG A 30 -4.094 82.789 10.534 1.00 0.00 ATOM 225 CZ ARG A 30 -3.935 84.099 10.689 1.00 0.00 ATOM 226 NH1 ARG A 30 -2.835 84.575 11.260 1.00 0.00 ATOM 227 NH2 ARG A 30 -4.872 84.934 10.271 1.00 0.00 ATOM 228 O ARG A 30 -4.554 79.379 6.042 1.00 0.00 ATOM 229 C ARG A 30 -3.451 79.186 6.549 1.00 0.00 ATOM 230 N ILE A 31 -2.335 78.975 5.848 1.00 0.00 ATOM 231 CA ILE A 31 -2.366 78.952 4.392 1.00 0.00 ATOM 232 CB ILE A 31 -0.987 78.951 3.771 1.00 0.00 ATOM 233 CG1 ILE A 31 -0.246 80.209 4.233 1.00 0.00 ATOM 234 CG2 ILE A 31 -1.077 78.911 2.251 1.00 0.00 ATOM 235 CD1 ILE A 31 -1.034 81.504 4.035 1.00 0.00 ATOM 236 O ILE A 31 -3.867 77.667 2.986 1.00 0.00 ATOM 237 C ILE A 31 -3.033 77.668 3.888 1.00 0.00 ATOM 238 N HIS A 32 -2.703 76.500 4.504 1.00 0.00 ATOM 239 CA HIS A 32 -3.328 75.243 4.143 1.00 0.00 ATOM 240 CB HIS A 32 -2.766 74.115 5.014 1.00 0.00 ATOM 241 CG HIS A 32 -1.371 73.711 4.650 1.00 0.00 ATOM 242 CD2 HIS A 32 -0.076 73.736 5.313 1.00 0.00 ATOM 243 ND1 HIS A 32 -1.051 73.160 3.427 1.00 0.00 ATOM 244 CE1 HIS A 32 0.269 72.903 3.396 1.00 0.00 ATOM 245 NE2 HIS A 32 0.861 73.246 4.524 1.00 0.00 ATOM 246 O HIS A 32 -5.619 74.844 3.529 1.00 0.00 ATOM 247 C HIS A 32 -4.839 75.335 4.347 1.00 0.00 ATOM 248 N LEU A 33 -5.245 75.987 5.433 1.00 0.00 ATOM 249 CA LEU A 33 -6.658 76.138 5.756 1.00 0.00 ATOM 250 CB LEU A 33 -6.835 76.558 7.217 1.00 0.00 ATOM 251 CG LEU A 33 -6.358 75.559 8.274 1.00 0.00 ATOM 252 CD1 LEU A 33 -6.451 76.163 9.666 1.00 0.00 ATOM 253 CD2 LEU A 33 -7.213 74.299 8.244 1.00 0.00 ATOM 254 O LEU A 33 -8.414 76.850 4.270 1.00 0.00 ATOM 255 C LEU A 33 -7.376 77.159 4.870 1.00 0.00 ATOM 256 N ARG A 34 -6.811 78.359 4.763 1.00 0.00 ATOM 257 CA ARG A 34 -7.458 79.450 4.042 1.00 0.00 ATOM 258 CB ARG A 34 -6.682 80.735 4.267 1.00 0.00 ATOM 259 CG ARG A 34 -7.295 81.975 3.645 1.00 0.00 ATOM 260 CD ARG A 34 -6.484 83.185 4.010 1.00 0.00 ATOM 261 NE ARG A 34 -6.801 83.645 5.355 1.00 0.00 ATOM 262 CZ ARG A 34 -5.951 83.689 6.374 1.00 0.00 ATOM 263 NH1 ARG A 34 -4.686 83.308 6.213 1.00 0.00 ATOM 264 NH2 ARG A 34 -6.374 84.091 7.561 1.00 0.00 ATOM 265 O ARG A 34 -8.696 79.352 1.993 1.00 0.00 ATOM 266 C ARG A 34 -7.655 79.076 2.570 1.00 0.00 ATOM 267 N ASN A 35 -6.676 78.413 1.974 1.00 0.00 ATOM 268 CA ASN A 35 -6.846 77.928 0.628 1.00 0.00 ATOM 269 CB ASN A 35 -5.678 78.395 -0.242 1.00 0.00 ATOM 270 CG ASN A 35 -5.648 79.902 -0.414 1.00 0.00 ATOM 271 ND2 ASN A 35 -4.607 80.537 0.113 1.00 0.00 ATOM 272 OD1 ASN A 35 -6.549 80.488 -1.013 1.00 0.00 ATOM 273 O ASN A 35 -7.962 75.797 0.691 1.00 0.00 ATOM 274 C ASN A 35 -6.899 76.415 0.548 1.00 0.00 ATOM 275 N PRO A 36 -5.581 75.602 0.224 1.00 0.00 ATOM 276 CA PRO A 36 -5.532 74.135 0.090 1.00 0.00 ATOM 277 CB PRO A 36 -5.861 73.887 -1.333 1.00 0.00 ATOM 278 CG PRO A 36 -5.191 75.041 -2.027 1.00 0.00 ATOM 279 CD PRO A 36 -5.556 76.224 -1.131 1.00 0.00 ATOM 280 O PRO A 36 -3.993 72.372 0.633 1.00 0.00 ATOM 281 C PRO A 36 -4.143 73.540 0.226 1.00 0.00 ATOM 282 N SER A 37 -3.160 74.304 -0.213 1.00 0.00 ATOM 283 CA SER A 37 -1.785 73.875 -0.203 1.00 0.00 ATOM 284 CB SER A 37 -1.312 73.289 -1.534 1.00 0.00 ATOM 285 OG SER A 37 -1.321 74.270 -2.556 1.00 0.00 ATOM 286 O SER A 37 -1.433 76.199 -0.032 1.00 0.00 ATOM 287 C SER A 37 -0.949 75.078 0.086 1.00 0.00 ATOM 288 N ALA A 38 0.303 74.855 0.406 1.00 0.00 ATOM 289 CA ALA A 38 1.217 75.933 0.642 1.00 0.00 ATOM 290 CB ALA A 38 1.813 75.793 2.033 1.00 0.00 ATOM 291 O ALA A 38 2.895 74.870 -0.690 1.00 0.00 ATOM 292 C ALA A 38 2.279 75.906 -0.445 1.00 0.00 ATOM 293 N ALA A 39 2.499 77.057 -1.080 1.00 0.00 ATOM 294 CA ALA A 39 3.499 77.161 -2.134 1.00 0.00 ATOM 295 CB ALA A 39 3.419 78.093 -2.977 1.00 0.00 ATOM 296 O ALA A 39 5.016 77.406 -0.285 1.00 0.00 ATOM 297 C ALA A 39 4.891 77.137 -1.487 1.00 0.00 ATOM 298 N PHE A 40 5.914 76.779 -2.269 1.00 0.00 ATOM 299 CA PHE A 40 7.283 76.695 -1.768 1.00 0.00 ATOM 300 CB PHE A 40 8.246 76.331 -2.901 1.00 0.00 ATOM 301 CG PHE A 40 9.674 76.178 -2.457 1.00 0.00 ATOM 302 CD1 PHE A 40 10.095 75.025 -1.818 1.00 0.00 ATOM 303 CD2 PHE A 40 10.593 77.188 -2.678 1.00 0.00 ATOM 304 CE1 PHE A 40 11.408 74.884 -1.410 1.00 0.00 ATOM 305 CE2 PHE A 40 11.907 77.048 -2.270 1.00 0.00 ATOM 306 CZ PHE A 40 12.314 75.903 -1.637 1.00 0.00 ATOM 307 O PHE A 40 8.174 78.906 -2.035 1.00 0.00 ATOM 308 C PHE A 40 7.783 78.042 -1.253 1.00 0.00 ATOM 309 N PHE A 41 7.806 78.258 0.123 1.00 0.00 ATOM 310 CA PHE A 41 8.250 79.499 0.731 1.00 0.00 ATOM 311 CB PHE A 41 7.883 79.456 2.232 1.00 0.00 ATOM 312 CG PHE A 41 6.402 79.406 2.460 1.00 0.00 ATOM 313 CD1 PHE A 41 5.728 78.202 2.474 1.00 0.00 ATOM 314 CD2 PHE A 41 5.663 80.573 2.597 1.00 0.00 ATOM 315 CE1 PHE A 41 4.360 78.168 2.625 1.00 0.00 ATOM 316 CE2 PHE A 41 4.298 80.527 2.716 1.00 0.00 ATOM 317 CZ PHE A 41 3.654 79.338 2.744 1.00 0.00 ATOM 318 O PHE A 41 10.522 78.737 0.861 1.00 0.00 ATOM 319 C PHE A 41 9.751 79.695 0.707 1.00 0.00 ATOM 320 N CYS A 42 10.152 80.906 0.510 1.00 0.00 ATOM 321 CA CYS A 42 11.541 81.259 0.531 1.00 0.00 ATOM 322 CB CYS A 42 12.039 81.697 -0.843 1.00 0.00 ATOM 323 SG CYS A 42 11.997 80.433 -2.135 1.00 0.00 ATOM 324 O CYS A 42 10.981 83.422 1.357 1.00 0.00 ATOM 325 C CYS A 42 11.764 82.482 1.385 1.00 0.00 ATOM 326 N VAL A 43 12.853 82.465 2.154 1.00 0.00 ATOM 327 CA VAL A 43 13.224 83.613 2.943 1.00 0.00 ATOM 328 CB VAL A 43 14.063 83.193 4.202 1.00 0.00 ATOM 329 CG1 VAL A 43 13.243 82.310 5.149 1.00 0.00 ATOM 330 CG2 VAL A 43 15.378 82.525 3.741 1.00 0.00 ATOM 331 O VAL A 43 14.561 84.426 1.100 1.00 0.00 ATOM 332 C VAL A 43 13.720 84.698 1.983 1.00 0.00 ATOM 333 N ALA A 44 13.191 85.883 2.118 1.00 0.00 ATOM 334 CA ALA A 44 13.550 86.971 1.265 1.00 0.00 ATOM 335 CB ALA A 44 12.541 87.152 0.140 1.00 0.00 ATOM 336 O ALA A 44 13.228 88.382 3.187 1.00 0.00 ATOM 337 C ALA A 44 13.726 88.252 2.067 1.00 0.00 ATOM 338 N ARG A 45 14.436 89.170 1.477 1.00 0.00 ATOM 339 CA ARG A 45 14.677 90.443 2.131 1.00 0.00 ATOM 340 CB ARG A 45 16.182 90.676 2.259 1.00 0.00 ATOM 341 CG ARG A 45 16.880 89.787 3.273 1.00 0.00 ATOM 342 CD ARG A 45 18.406 89.912 3.217 1.00 0.00 ATOM 343 NE ARG A 45 18.987 89.215 2.070 1.00 0.00 ATOM 344 CZ ARG A 45 19.461 89.810 0.978 1.00 0.00 ATOM 345 NH1 ARG A 45 19.437 91.135 0.867 1.00 0.00 ATOM 346 NH2 ARG A 45 19.961 89.078 -0.010 1.00 0.00 ATOM 347 O ARG A 45 14.195 91.467 0.071 1.00 0.00 ATOM 348 C ARG A 45 14.000 91.478 1.255 1.00 0.00 ATOM 349 N LEU A 46 13.176 92.290 1.879 1.00 0.00 ATOM 350 CA LEU A 46 12.601 93.422 1.192 1.00 0.00 ATOM 351 CB LEU A 46 11.106 93.479 1.506 1.00 0.00 ATOM 352 CG LEU A 46 10.319 94.619 0.855 1.00 0.00 ATOM 353 CD1 LEU A 46 10.360 94.502 -0.660 1.00 0.00 ATOM 354 CD2 LEU A 46 8.864 94.588 1.295 1.00 0.00 ATOM 355 O LEU A 46 12.966 95.194 2.767 1.00 0.00 ATOM 356 C LEU A 46 13.253 94.723 1.670 1.00 0.00 ATOM 357 N GLN A 47 14.188 95.281 0.891 1.00 0.00 ATOM 358 CA GLN A 47 14.869 96.507 1.250 1.00 0.00 ATOM 359 CB GLN A 47 16.214 96.600 0.526 1.00 0.00 ATOM 360 CG GLN A 47 17.018 97.844 0.867 1.00 0.00 ATOM 361 CD GLN A 47 18.392 97.844 0.232 1.00 0.00 ATOM 362 OE1 GLN A 47 18.838 96.830 -0.305 1.00 0.00 ATOM 363 NE2 GLN A 47 19.072 98.982 0.288 1.00 0.00 ATOM 364 O GLN A 47 13.419 97.801 -0.187 1.00 0.00 ATOM 365 C GLN A 47 14.054 97.746 0.884 1.00 0.00 ATOM 366 N ASP A 48 14.040 98.860 1.879 1.00 0.00 ATOM 367 CA ASP A 48 13.304 100.078 1.631 1.00 0.00 ATOM 368 CB ASP A 48 14.027 100.691 0.344 1.00 0.00 ATOM 369 CG ASP A 48 15.459 101.115 0.651 1.00 0.00 ATOM 370 OD1 ASP A 48 15.906 101.050 1.818 1.00 0.00 ATOM 371 OD2 ASP A 48 16.163 101.531 -0.285 1.00 0.00 ATOM 372 O ASP A 48 11.106 100.921 2.006 1.00 0.00 ATOM 373 C ASP A 48 11.929 100.035 2.240 1.00 0.00 ATOM 374 N PHE A 49 11.688 99.023 3.041 1.00 0.00 ATOM 375 CA PHE A 49 10.430 98.833 3.719 1.00 0.00 ATOM 376 CB PHE A 49 9.577 97.806 2.971 1.00 0.00 ATOM 377 CG PHE A 49 9.262 98.194 1.555 1.00 0.00 ATOM 378 CD1 PHE A 49 10.064 97.771 0.511 1.00 0.00 ATOM 379 CD2 PHE A 49 8.163 98.987 1.266 1.00 0.00 ATOM 380 CE1 PHE A 49 9.774 98.129 -0.792 1.00 0.00 ATOM 381 CE2 PHE A 49 7.874 99.341 -0.035 1.00 0.00 ATOM 382 CZ PHE A 49 8.673 98.918 -1.063 1.00 0.00 ATOM 383 O PHE A 49 11.744 97.794 5.370 1.00 0.00 ATOM 384 C PHE A 49 10.685 98.335 5.098 1.00 0.00 ATOM 385 N LYS A 50 9.742 98.510 5.954 1.00 0.00 ATOM 386 CA LYS A 50 9.869 98.102 7.310 1.00 0.00 ATOM 387 CB LYS A 50 10.197 99.311 8.206 1.00 0.00 ATOM 388 CG LYS A 50 10.228 99.032 9.707 1.00 0.00 ATOM 389 CD LYS A 50 10.752 100.244 10.491 1.00 0.00 ATOM 390 CE LYS A 50 10.575 100.057 11.987 1.00 0.00 ATOM 391 NZ LYS A 50 10.974 101.270 12.770 1.00 0.00 ATOM 392 O LYS A 50 7.501 98.069 7.578 1.00 0.00 ATOM 393 C LYS A 50 8.585 97.529 7.836 1.00 0.00 ATOM 394 N LEU A 51 8.702 96.436 8.542 1.00 0.00 ATOM 395 CA LEU A 51 7.574 95.800 9.125 1.00 0.00 ATOM 396 CB LEU A 51 7.805 94.292 9.172 1.00 0.00 ATOM 397 CG LEU A 51 6.675 93.414 9.723 1.00 0.00 ATOM 398 CD1 LEU A 51 5.354 93.778 9.058 1.00 0.00 ATOM 399 CD2 LEU A 51 7.017 91.939 9.478 1.00 0.00 ATOM 400 O LEU A 51 8.376 96.136 11.329 1.00 0.00 ATOM 401 C LEU A 51 7.414 96.166 10.569 1.00 0.00 ATOM 402 N ASP A 52 6.244 96.530 10.927 1.00 0.00 ATOM 403 CA ASP A 52 5.922 96.836 12.285 1.00 0.00 ATOM 404 CB ASP A 52 4.736 97.752 12.331 1.00 0.00 ATOM 405 CG ASP A 52 5.140 99.164 11.944 1.00 0.00 ATOM 406 OD1 ASP A 52 6.159 99.661 12.473 1.00 0.00 ATOM 407 OD2 ASP A 52 4.427 99.760 11.134 1.00 0.00 ATOM 408 O ASP A 52 4.890 94.709 12.185 1.00 0.00 ATOM 409 C ASP A 52 5.221 95.652 12.900 1.00 0.00 ATOM 410 N PHE A 53 4.999 95.659 14.187 1.00 0.00 ATOM 411 CA PHE A 53 4.469 94.475 14.824 1.00 0.00 ATOM 412 CB PHE A 53 5.562 93.737 15.595 1.00 0.00 ATOM 413 CG PHE A 53 5.095 92.445 16.207 1.00 0.00 ATOM 414 CD1 PHE A 53 4.960 91.302 15.428 1.00 0.00 ATOM 415 CD2 PHE A 53 4.769 92.377 17.557 1.00 0.00 ATOM 416 CE1 PHE A 53 4.509 90.106 15.984 1.00 0.00 ATOM 417 CE2 PHE A 53 4.315 91.183 18.122 1.00 0.00 ATOM 418 CZ PHE A 53 4.184 90.046 17.332 1.00 0.00 ATOM 419 O PHE A 53 3.579 95.809 16.604 1.00 0.00 ATOM 420 C PHE A 53 3.422 94.827 15.867 1.00 0.00 ATOM 421 N GLY A 54 2.364 94.016 15.915 1.00 0.00 ATOM 422 CA GLY A 54 1.278 94.134 16.879 1.00 0.00 ATOM 423 O GLY A 54 0.246 92.556 15.408 1.00 0.00 ATOM 424 C GLY A 54 0.227 93.087 16.521 1.00 0.00 ATOM 425 N ASN A 55 -0.635 92.749 17.457 1.00 0.00 ATOM 426 CA ASN A 55 -1.744 91.868 17.177 1.00 0.00 ATOM 427 CB ASN A 55 -1.428 90.460 17.675 1.00 0.00 ATOM 428 CG ASN A 55 -2.573 89.489 17.436 1.00 0.00 ATOM 429 ND2 ASN A 55 -2.261 88.326 16.892 1.00 0.00 ATOM 430 OD1 ASN A 55 -3.729 89.795 17.730 1.00 0.00 ATOM 431 O ASN A 55 -2.765 92.463 19.271 1.00 0.00 ATOM 432 C ASN A 55 -2.931 92.216 18.065 1.00 0.00 ATOM 433 N SER A 56 -4.100 92.266 17.466 1.00 0.00 ATOM 434 CA SER A 56 -5.311 92.594 18.212 1.00 0.00 ATOM 435 CB SER A 56 -5.730 93.988 17.801 1.00 0.00 ATOM 436 OG SER A 56 -7.005 94.233 18.371 1.00 0.00 ATOM 437 O SER A 56 -6.729 91.622 16.541 1.00 0.00 ATOM 438 C SER A 56 -6.488 91.749 17.739 1.00 0.00 ATOM 439 N GLN A 57 -7.234 91.221 18.695 1.00 0.00 ATOM 440 CA GLN A 57 -8.416 90.371 18.419 1.00 0.00 ATOM 441 CB GLN A 57 -8.761 89.600 19.685 1.00 0.00 ATOM 442 CG GLN A 57 -9.009 90.501 20.880 1.00 0.00 ATOM 443 CD GLN A 57 -9.285 89.740 22.163 1.00 0.00 ATOM 444 OE1 GLN A 57 -9.668 90.336 23.170 1.00 0.00 ATOM 445 NE2 GLN A 57 -9.085 88.430 22.140 1.00 0.00 ATOM 446 O GLN A 57 -9.767 92.343 18.244 1.00 0.00 ATOM 447 C GLN A 57 -9.613 91.177 17.905 1.00 0.00 ATOM 448 N GLY A 58 -10.393 90.476 16.988 1.00 0.00 ATOM 449 CA GLY A 58 -11.552 91.115 16.352 1.00 0.00 ATOM 450 O GLY A 58 -13.412 92.427 17.032 1.00 0.00 ATOM 451 C GLY A 58 -12.636 91.533 17.328 1.00 0.00 ATOM 452 N LYS A 59 -12.730 90.887 18.526 1.00 0.00 ATOM 453 CA LYS A 59 -13.733 91.217 19.524 1.00 0.00 ATOM 454 CB LYS A 59 -13.270 90.188 20.828 1.00 0.00 ATOM 455 CG LYS A 59 -12.269 89.092 20.475 1.00 0.00 ATOM 456 CD LYS A 59 -12.985 87.829 20.013 1.00 0.00 ATOM 457 CE LYS A 59 -12.155 86.583 20.304 1.00 0.00 ATOM 458 NZ LYS A 59 -10.805 86.662 19.682 1.00 0.00 ATOM 459 O LYS A 59 -14.437 93.273 20.499 1.00 0.00 ATOM 460 C LYS A 59 -13.539 92.666 19.907 1.00 0.00 ATOM 461 N THR A 60 -12.361 93.229 19.603 1.00 0.00 ATOM 462 CA THR A 60 -12.068 94.557 20.086 1.00 0.00 ATOM 463 CB THR A 60 -10.754 94.439 20.998 1.00 0.00 ATOM 464 CG2 THR A 60 -11.045 93.617 22.250 1.00 0.00 ATOM 465 OG1 THR A 60 -9.693 93.819 20.262 1.00 0.00 ATOM 466 O THR A 60 -11.447 96.769 19.308 1.00 0.00 ATOM 467 C THR A 60 -11.840 95.627 19.025 1.00 0.00 ATOM 468 N SER A 61 -12.086 95.277 17.755 1.00 0.00 ATOM 469 CA SER A 61 -11.923 96.209 16.656 1.00 0.00 ATOM 470 CB SER A 61 -11.954 94.895 15.410 1.00 0.00 ATOM 471 OG SER A 61 -13.319 95.094 15.059 1.00 0.00 ATOM 472 O SER A 61 -12.864 98.298 15.964 1.00 0.00 ATOM 473 C SER A 61 -12.966 97.320 16.704 1.00 0.00 ATOM 474 N GLN A 62 -14.014 97.188 17.607 1.00 0.00 ATOM 475 CA GLN A 62 -15.050 98.205 17.736 1.00 0.00 ATOM 476 CB GLN A 62 -16.235 97.664 18.544 1.00 0.00 ATOM 477 CG GLN A 62 -17.143 96.701 17.792 1.00 0.00 ATOM 478 CD GLN A 62 -16.527 95.326 17.595 1.00 0.00 ATOM 479 OE1 GLN A 62 -15.557 95.164 16.847 1.00 0.00 ATOM 480 NE2 GLN A 62 -17.084 94.327 18.270 1.00 0.00 ATOM 481 O GLN A 62 -14.996 100.529 18.183 1.00 0.00 ATOM 482 C GLN A 62 -14.441 99.433 18.354 1.00 0.00 ATOM 483 N THR A 63 -13.309 99.252 19.115 1.00 0.00 ATOM 484 CA THR A 63 -12.682 100.334 19.844 1.00 0.00 ATOM 485 CB THR A 63 -12.427 99.903 21.294 1.00 0.00 ATOM 486 CG2 THR A 63 -13.752 99.521 21.945 1.00 0.00 ATOM 487 OG1 THR A 63 -11.571 98.747 21.275 1.00 0.00 ATOM 488 O THR A 63 -10.922 99.937 18.223 1.00 0.00 ATOM 489 C THR A 63 -11.367 100.639 19.147 1.00 0.00 ATOM 490 N TRP A 64 -10.754 101.735 19.601 1.00 0.00 ATOM 491 CA TRP A 64 -9.411 101.975 19.073 1.00 0.00 ATOM 492 CB TRP A 64 -8.999 103.406 19.703 1.00 0.00 ATOM 493 CG TRP A 64 -7.776 104.024 19.065 1.00 0.00 ATOM 494 CD1 TRP A 64 -7.764 104.896 18.010 1.00 0.00 ATOM 495 CD2 TRP A 64 -6.404 103.669 19.340 1.00 0.00 ATOM 496 CE2 TRP A 64 -5.619 104.350 18.373 1.00 0.00 ATOM 497 CE3 TRP A 64 -5.775 102.832 20.276 1.00 0.00 ATOM 498 NE1 TRP A 64 -6.470 105.100 17.585 1.00 0.00 ATOM 499 CZ2 TRP A 64 -4.216 104.219 18.322 1.00 0.00 ATOM 500 CZ3 TRP A 64 -4.369 102.683 20.203 1.00 0.00 ATOM 501 CH2 TRP A 64 -3.624 103.380 19.239 1.00 0.00 ATOM 502 O TRP A 64 -7.506 100.608 18.500 1.00 0.00 ATOM 503 C TRP A 64 -8.413 100.845 19.311 1.00 0.00 ATOM 504 N HIS A 65 -8.556 100.201 20.465 1.00 0.00 ATOM 505 CA HIS A 65 -7.528 99.188 20.755 1.00 0.00 ATOM 506 CB HIS A 65 -7.444 98.828 22.230 1.00 0.00 ATOM 507 CG HIS A 65 -6.308 97.872 22.491 1.00 0.00 ATOM 508 CD2 HIS A 65 -6.326 96.550 22.729 1.00 0.00 ATOM 509 ND1 HIS A 65 -4.972 98.253 22.509 1.00 0.00 ATOM 510 CE1 HIS A 65 -4.213 97.191 22.767 1.00 0.00 ATOM 511 NE2 HIS A 65 -5.004 96.148 22.896 1.00 0.00 ATOM 512 O HIS A 65 -8.247 97.205 19.619 1.00 0.00 ATOM 513 C HIS A 65 -7.425 98.111 19.699 1.00 0.00 ATOM 514 N GLY A 66 -6.362 98.117 18.785 1.00 0.00 ATOM 515 CA GLY A 66 -6.184 97.069 17.789 1.00 0.00 ATOM 516 O GLY A 66 -3.980 97.965 17.681 1.00 0.00 ATOM 517 C GLY A 66 -4.867 97.338 17.114 1.00 0.00 ATOM 518 N GLY A 67 -4.749 96.871 15.900 1.00 0.00 ATOM 519 CA GLY A 67 -3.559 97.070 15.140 1.00 0.00 ATOM 520 O GLY A 67 -2.657 95.069 16.117 1.00 0.00 ATOM 521 C GLY A 67 -2.756 95.781 15.115 1.00 0.00 ATOM 522 N ILE A 68 -2.161 95.539 13.947 1.00 0.00 ATOM 523 CA ILE A 68 -1.357 94.338 13.739 1.00 0.00 ATOM 524 CB ILE A 68 -2.097 93.292 12.869 1.00 0.00 ATOM 525 CG1 ILE A 68 -2.378 93.839 11.472 1.00 0.00 ATOM 526 CG2 ILE A 68 -3.411 92.868 13.539 1.00 0.00 ATOM 527 CD1 ILE A 68 -2.860 92.796 10.489 1.00 0.00 ATOM 528 O ILE A 68 -0.053 95.800 12.353 1.00 0.00 ATOM 529 C ILE A 68 -0.122 94.707 12.926 1.00 0.00 ATOM 530 N ALA A 69 0.900 93.767 12.891 1.00 0.00 ATOM 531 CA ALA A 69 2.146 93.952 12.165 1.00 0.00 ATOM 532 CB ALA A 69 2.925 92.633 12.055 1.00 0.00 ATOM 533 O ALA A 69 1.088 93.842 10.004 1.00 0.00 ATOM 534 C ALA A 69 1.828 94.468 10.769 1.00 0.00 ATOM 535 N THR A 70 2.340 95.571 10.398 1.00 0.00 ATOM 536 CA THR A 70 2.040 96.268 9.180 1.00 0.00 ATOM 537 CB THR A 70 1.348 97.641 9.454 1.00 0.00 ATOM 538 CG2 THR A 70 -0.044 97.432 10.045 1.00 0.00 ATOM 539 OG1 THR A 70 2.146 98.399 10.373 1.00 0.00 ATOM 540 O THR A 70 4.438 96.358 8.982 1.00 0.00 ATOM 541 C THR A 70 3.351 96.494 8.413 1.00 0.00 ATOM 542 N ILE A 71 3.247 96.849 7.131 1.00 0.00 ATOM 543 CA ILE A 71 4.413 97.115 6.280 1.00 0.00 ATOM 544 CB ILE A 71 4.500 96.117 5.113 1.00 0.00 ATOM 545 CG1 ILE A 71 4.625 94.686 5.642 1.00 0.00 ATOM 546 CG2 ILE A 71 5.712 96.416 4.245 1.00 0.00 ATOM 547 CD1 ILE A 71 4.515 93.625 4.566 1.00 0.00 ATOM 548 O ILE A 71 3.291 98.883 5.124 1.00 0.00 ATOM 549 C ILE A 71 4.305 98.532 5.727 1.00 0.00 ATOM 550 N PHE A 72 5.297 99.350 5.986 1.00 0.00 ATOM 551 CA PHE A 72 5.339 100.706 5.445 1.00 0.00 ATOM 552 CB PHE A 72 4.928 101.740 6.536 1.00 0.00 ATOM 553 CG PHE A 72 6.034 102.113 7.502 1.00 0.00 ATOM 554 CD1 PHE A 72 6.960 103.099 7.173 1.00 0.00 ATOM 555 CD2 PHE A 72 6.133 101.488 8.758 1.00 0.00 ATOM 556 CE1 PHE A 72 7.960 103.472 8.073 1.00 0.00 ATOM 557 CE2 PHE A 72 7.137 101.857 9.667 1.00 0.00 ATOM 558 CZ PHE A 72 8.048 102.849 9.314 1.00 0.00 ATOM 559 O PHE A 72 7.694 100.370 5.196 1.00 0.00 ATOM 560 C PHE A 72 6.693 100.925 4.776 1.00 0.00 ATOM 561 N GLN A 73 6.860 101.849 3.747 1.00 0.00 ATOM 562 CA GLN A 73 8.129 102.140 3.124 1.00 0.00 ATOM 563 CB GLN A 73 7.857 103.044 1.920 1.00 0.00 ATOM 564 CG GLN A 73 9.098 103.414 1.129 1.00 0.00 ATOM 565 CD GLN A 73 8.779 104.208 -0.123 1.00 0.00 ATOM 566 OE1 GLN A 73 7.631 104.600 -0.344 1.00 0.00 ATOM 567 NE2 GLN A 73 9.793 104.454 -0.944 1.00 0.00 ATOM 568 O GLN A 73 8.682 103.986 4.577 1.00 0.00 ATOM 569 C GLN A 73 9.042 102.914 4.091 1.00 0.00 ATOM 570 N SER A 74 10.157 102.317 4.423 1.00 0.00 ATOM 571 CA SER A 74 11.139 102.918 5.292 1.00 0.00 ATOM 572 CB SER A 74 11.221 102.171 6.623 1.00 0.00 ATOM 573 OG SER A 74 12.221 102.722 7.460 1.00 0.00 ATOM 574 O SER A 74 13.101 101.819 4.476 1.00 0.00 ATOM 575 C SER A 74 12.507 102.885 4.627 1.00 0.00 ATOM 576 N PRO A 75 13.028 104.042 4.213 1.00 0.00 ATOM 577 CA PRO A 75 14.343 104.101 3.564 1.00 0.00 ATOM 578 CB PRO A 75 14.573 105.601 3.391 1.00 0.00 ATOM 579 CG PRO A 75 13.176 106.134 3.216 1.00 0.00 ATOM 580 CD PRO A 75 12.412 105.377 4.284 1.00 0.00 ATOM 581 O PRO A 75 16.334 102.782 3.797 1.00 0.00 ATOM 582 C PRO A 75 15.447 103.416 4.369 1.00 0.00 ATOM 583 N GLY A 76 15.380 103.541 5.661 1.00 0.00 ATOM 584 CA GLY A 76 16.385 102.944 6.528 1.00 0.00 ATOM 585 O GLY A 76 16.017 101.411 8.336 1.00 0.00 ATOM 586 C GLY A 76 15.859 101.653 7.135 1.00 0.00 ATOM 587 N ASP A 77 15.209 100.844 6.332 1.00 0.00 ATOM 588 CA ASP A 77 14.623 99.648 6.856 1.00 0.00 ATOM 589 CB ASP A 77 13.578 99.281 7.509 1.00 0.00 ATOM 590 CG ASP A 77 13.785 98.461 8.753 1.00 0.00 ATOM 591 OD1 ASP A 77 14.794 97.738 8.943 1.00 0.00 ATOM 592 OD2 ASP A 77 12.888 98.459 9.662 1.00 0.00 ATOM 593 O ASP A 77 14.750 98.923 4.556 1.00 0.00 ATOM 594 C ASP A 77 14.606 98.609 5.761 1.00 0.00 ATOM 595 N GLU A 78 14.503 97.382 6.186 1.00 0.00 ATOM 596 CA GLU A 78 14.374 96.229 5.352 1.00 0.00 ATOM 597 CB GLU A 78 15.758 95.696 4.967 1.00 0.00 ATOM 598 CG GLU A 78 16.593 95.230 6.148 1.00 0.00 ATOM 599 CD GLU A 78 17.966 94.737 5.730 1.00 0.00 ATOM 600 OE1 GLU A 78 18.276 94.791 4.522 1.00 0.00 ATOM 601 OE2 GLU A 78 18.731 94.298 6.613 1.00 0.00 ATOM 602 O GLU A 78 13.727 95.088 7.368 1.00 0.00 ATOM 603 C GLU A 78 13.604 95.175 6.135 1.00 0.00 ATOM 604 N VAL A 79 12.807 94.412 5.458 1.00 0.00 ATOM 605 CA VAL A 79 12.003 93.418 6.104 1.00 0.00 ATOM 606 CB VAL A 79 10.479 93.606 5.847 1.00 0.00 ATOM 607 CG1 VAL A 79 9.675 92.572 6.625 1.00 0.00 ATOM 608 CG2 VAL A 79 10.044 95.000 6.216 1.00 0.00 ATOM 609 O VAL A 79 12.343 91.720 4.504 1.00 0.00 ATOM 610 C VAL A 79 12.441 92.059 5.669 1.00 0.00 ATOM 611 N TRP A 80 12.895 91.281 6.589 1.00 0.00 ATOM 612 CA TRP A 80 13.214 89.920 6.284 1.00 0.00 ATOM 613 CB TRP A 80 14.383 89.421 7.157 1.00 0.00 ATOM 614 CG TRP A 80 15.057 88.174 6.637 1.00 0.00 ATOM 615 CD1 TRP A 80 14.468 87.137 5.967 1.00 0.00 ATOM 616 CD2 TRP A 80 16.444 87.822 6.779 1.00 0.00 ATOM 617 CE2 TRP A 80 16.617 86.559 6.166 1.00 0.00 ATOM 618 CE3 TRP A 80 17.551 88.450 7.360 1.00 0.00 ATOM 619 NE1 TRP A 80 15.401 86.166 5.680 1.00 0.00 ATOM 620 CZ2 TRP A 80 17.861 85.910 6.123 1.00 0.00 ATOM 621 CZ3 TRP A 80 18.794 87.800 7.314 1.00 0.00 ATOM 622 CH2 TRP A 80 18.929 86.545 6.699 1.00 0.00 ATOM 623 O TRP A 80 11.437 89.145 7.660 1.00 0.00 ATOM 624 C TRP A 80 11.957 89.137 6.548 1.00 0.00 ATOM 625 N GLY A 81 11.465 88.488 5.544 1.00 0.00 ATOM 626 CA GLY A 81 10.254 87.765 5.671 1.00 0.00 ATOM 627 O GLY A 81 11.296 86.208 4.254 1.00 0.00 ATOM 628 C GLY A 81 10.245 86.624 4.729 1.00 0.00 ATOM 629 N VAL A 82 9.096 86.111 4.452 1.00 0.00 ATOM 630 CA VAL A 82 8.975 84.975 3.590 1.00 0.00 ATOM 631 CB VAL A 82 8.461 83.691 4.356 1.00 0.00 ATOM 632 CG1 VAL A 82 9.349 83.399 5.557 1.00 0.00 ATOM 633 CG2 VAL A 82 6.996 83.886 4.749 1.00 0.00 ATOM 634 O VAL A 82 7.217 86.112 2.455 1.00 0.00 ATOM 635 C VAL A 82 8.095 85.257 2.407 1.00 0.00 ATOM 636 N VAL A 83 8.393 84.588 1.351 1.00 0.00 ATOM 637 CA VAL A 83 7.632 84.656 0.126 1.00 0.00 ATOM 638 CB VAL A 83 8.479 85.246 -1.057 1.00 0.00 ATOM 639 CG1 VAL A 83 8.960 86.654 -0.719 1.00 0.00 ATOM 640 CG2 VAL A 83 9.662 84.330 -1.338 1.00 0.00 ATOM 641 O VAL A 83 7.576 82.260 -0.074 1.00 0.00 ATOM 642 C VAL A 83 6.955 83.316 -0.187 1.00 0.00 ATOM 643 N TRP A 84 5.727 83.427 -0.578 1.00 0.00 ATOM 644 CA TRP A 84 4.859 82.277 -0.844 1.00 0.00 ATOM 645 CB TRP A 84 3.846 82.049 0.314 1.00 0.00 ATOM 646 CG TRP A 84 2.818 83.112 0.616 1.00 0.00 ATOM 647 CD1 TRP A 84 2.867 84.007 1.674 1.00 0.00 ATOM 648 CD2 TRP A 84 1.598 83.433 -0.080 1.00 0.00 ATOM 649 CE2 TRP A 84 0.974 84.515 0.608 1.00 0.00 ATOM 650 CE3 TRP A 84 0.931 82.921 -1.239 1.00 0.00 ATOM 651 NE1 TRP A 84 1.780 84.864 1.701 1.00 0.00 ATOM 652 CZ2 TRP A 84 -0.240 85.083 0.200 1.00 0.00 ATOM 653 CZ3 TRP A 84 -0.275 83.488 -1.639 1.00 0.00 ATOM 654 CH2 TRP A 84 -0.881 84.568 -0.940 1.00 0.00 ATOM 655 O TRP A 84 4.005 83.317 -2.818 1.00 0.00 ATOM 656 C TRP A 84 4.351 82.266 -2.276 1.00 0.00 ATOM 657 N LYS A 85 4.361 81.066 -2.919 1.00 0.00 ATOM 658 CA LYS A 85 3.900 80.955 -4.298 1.00 0.00 ATOM 659 CB LYS A 85 4.763 79.999 -5.046 1.00 0.00 ATOM 660 CG LYS A 85 5.904 80.744 -5.736 1.00 0.00 ATOM 661 CD LYS A 85 5.316 81.558 -6.891 1.00 0.00 ATOM 662 CE LYS A 85 6.385 82.132 -7.842 1.00 0.00 ATOM 663 NZ LYS A 85 5.740 82.612 -9.124 1.00 0.00 ATOM 664 O LYS A 85 2.263 79.308 -3.702 1.00 0.00 ATOM 665 C LYS A 85 2.522 80.320 -4.353 1.00 0.00 ATOM 666 N MET A 86 1.631 80.918 -5.181 1.00 0.00 ATOM 667 CA MET A 86 0.281 80.398 -5.317 1.00 0.00 ATOM 668 CB MET A 86 -0.732 81.245 -4.524 1.00 0.00 ATOM 669 CG MET A 86 -2.034 80.539 -4.245 1.00 0.00 ATOM 670 SD MET A 86 -1.802 79.131 -3.095 1.00 0.00 ATOM 671 CE MET A 86 -1.299 79.979 -1.657 1.00 0.00 ATOM 672 O MET A 86 0.023 81.266 -7.563 1.00 0.00 ATOM 673 C MET A 86 -0.363 80.483 -6.696 1.00 0.00 ATOM 674 N ASN A 87 -1.413 79.588 -6.877 1.00 0.00 ATOM 675 CA ASN A 87 -2.112 79.530 -8.155 1.00 0.00 ATOM 676 CB ASN A 87 -3.097 78.359 -8.180 1.00 0.00 ATOM 677 CG ASN A 87 -2.415 77.026 -8.414 1.00 0.00 ATOM 678 ND2 ASN A 87 -3.107 75.942 -8.083 1.00 0.00 ATOM 679 OD1 ASN A 87 -1.276 76.974 -8.883 1.00 0.00 ATOM 680 O ASN A 87 -3.208 81.514 -7.269 1.00 0.00 ATOM 681 C ASN A 87 -2.957 80.826 -8.271 1.00 0.00 ATOM 682 N LYS A 88 -3.380 81.149 -9.486 1.00 0.00 ATOM 683 CA LYS A 88 -4.058 82.409 -9.766 1.00 0.00 ATOM 684 CB LYS A 88 -4.412 82.585 -11.221 1.00 0.00 ATOM 685 CG LYS A 88 -5.622 81.840 -11.724 1.00 0.00 ATOM 686 CD LYS A 88 -5.746 81.941 -13.246 1.00 0.00 ATOM 687 CE LYS A 88 -6.963 81.167 -13.783 1.00 0.00 ATOM 688 NZ LYS A 88 -6.589 79.865 -14.383 1.00 0.00 ATOM 689 O LYS A 88 -5.802 83.671 -8.690 1.00 0.00 ATOM 690 C LYS A 88 -5.440 82.564 -9.102 1.00 0.00 ATOM 691 N SER A 89 -6.220 81.467 -9.005 1.00 0.00 ATOM 692 CA SER A 89 -7.543 81.558 -8.386 1.00 0.00 ATOM 693 CB SER A 89 -8.219 80.215 -8.365 1.00 0.00 ATOM 694 OG SER A 89 -8.688 79.817 -9.646 1.00 0.00 ATOM 695 O SER A 89 -8.177 82.820 -6.430 1.00 0.00 ATOM 696 C SER A 89 -7.449 81.947 -6.923 1.00 0.00 ATOM 697 N ASN A 90 -6.504 81.325 -6.211 1.00 0.00 ATOM 698 CA ASN A 90 -6.312 81.639 -4.800 1.00 0.00 ATOM 699 CB ASN A 90 -5.375 80.575 -4.166 1.00 0.00 ATOM 700 CG ASN A 90 -6.017 79.213 -4.000 1.00 0.00 ATOM 701 ND2 ASN A 90 -5.187 78.174 -3.914 1.00 0.00 ATOM 702 OD1 ASN A 90 -7.253 79.083 -3.962 1.00 0.00 ATOM 703 O ASN A 90 -6.343 83.735 -3.654 1.00 0.00 ATOM 704 C ASN A 90 -5.863 83.112 -4.605 1.00 0.00 ATOM 705 N LEU A 91 -5.019 83.599 -5.492 1.00 0.00 ATOM 706 CA LEU A 91 -4.616 85.014 -5.396 1.00 0.00 ATOM 707 CB LEU A 91 -3.969 85.302 -6.903 1.00 0.00 ATOM 708 CG LEU A 91 -3.117 86.549 -7.141 1.00 0.00 ATOM 709 CD1 LEU A 91 -1.697 86.360 -6.656 1.00 0.00 ATOM 710 CD2 LEU A 91 -3.143 86.863 -8.603 1.00 0.00 ATOM 711 O LEU A 91 -5.950 86.995 -4.966 1.00 0.00 ATOM 712 C LEU A 91 -5.786 85.959 -5.628 1.00 0.00 ATOM 713 N ASN A 92 -6.700 85.550 -6.530 1.00 0.00 ATOM 714 CA ASN A 92 -7.900 86.377 -6.760 1.00 0.00 ATOM 715 CB ASN A 92 -8.670 85.875 -7.984 1.00 0.00 ATOM 716 CG ASN A 92 -7.941 86.150 -9.280 1.00 0.00 ATOM 717 ND2 ASN A 92 -8.194 85.325 -10.286 1.00 0.00 ATOM 718 OD1 ASN A 92 -7.170 87.106 -9.381 1.00 0.00 ATOM 719 O ASN A 92 -9.421 87.412 -5.187 1.00 0.00 ATOM 720 C ASN A 92 -8.831 86.397 -5.570 1.00 0.00 ATOM 721 N SER A 93 -8.946 85.279 -4.851 1.00 0.00 ATOM 722 CA SER A 93 -9.734 85.183 -3.637 1.00 0.00 ATOM 723 CB SER A 93 -9.893 83.750 -3.201 1.00 0.00 ATOM 724 OG SER A 93 -10.692 83.013 -4.083 1.00 0.00 ATOM 725 O SER A 93 -9.834 86.709 -1.793 1.00 0.00 ATOM 726 C SER A 93 -9.117 86.032 -2.531 1.00 0.00 ATOM 727 N LEU A 94 -7.778 86.001 -2.420 1.00 0.00 ATOM 728 CA LEU A 94 -7.077 86.797 -1.410 1.00 0.00 ATOM 729 CB LEU A 94 -5.638 86.191 -1.251 1.00 0.00 ATOM 730 CG LEU A 94 -5.541 84.805 -0.659 1.00 0.00 ATOM 731 CD1 LEU A 94 -4.146 84.269 -0.835 1.00 0.00 ATOM 732 CD2 LEU A 94 -5.937 84.769 0.800 1.00 0.00 ATOM 733 O LEU A 94 -7.162 89.092 -0.744 1.00 0.00 ATOM 734 C LEU A 94 -7.163 88.298 -1.680 1.00 0.00 ATOM 735 N ASP A 95 -7.305 88.677 -2.963 1.00 0.00 ATOM 736 CA ASP A 95 -7.450 90.093 -3.340 1.00 0.00 ATOM 737 CB ASP A 95 -7.338 90.322 -4.823 1.00 0.00 ATOM 738 CG ASP A 95 -7.488 91.808 -5.139 1.00 0.00 ATOM 739 OD1 ASP A 95 -6.626 92.588 -4.688 1.00 0.00 ATOM 740 OD2 ASP A 95 -8.491 92.159 -5.793 1.00 0.00 ATOM 741 O ASP A 95 -8.763 91.636 -2.059 1.00 0.00 ATOM 742 C ASP A 95 -8.742 90.588 -2.707 1.00 0.00 ATOM 743 N GLU A 96 -9.818 89.843 -2.874 1.00 0.00 ATOM 744 CA GLU A 96 -11.103 90.224 -2.293 1.00 0.00 ATOM 745 CB GLU A 96 -12.199 89.260 -2.751 1.00 0.00 ATOM 746 CG GLU A 96 -12.575 89.396 -4.217 1.00 0.00 ATOM 747 CD GLU A 96 -13.560 88.336 -4.670 1.00 0.00 ATOM 748 OE1 GLU A 96 -13.894 87.451 -3.855 1.00 0.00 ATOM 749 OE2 GLU A 96 -13.998 88.391 -5.838 1.00 0.00 ATOM 750 O GLU A 96 -11.519 91.075 -0.082 1.00 0.00 ATOM 751 C GLU A 96 -11.041 90.171 -0.766 1.00 0.00 ATOM 752 N GLN A 97 -10.435 89.117 -0.246 1.00 0.00 ATOM 753 CA GLN A 97 -10.313 88.893 1.196 1.00 0.00 ATOM 754 CB GLN A 97 -9.811 87.478 1.480 1.00 0.00 ATOM 755 CG GLN A 97 -10.820 86.386 1.168 1.00 0.00 ATOM 756 CD GLN A 97 -10.240 84.995 1.321 1.00 0.00 ATOM 757 OE1 GLN A 97 -9.043 84.834 1.560 1.00 0.00 ATOM 758 NE2 GLN A 97 -11.088 83.982 1.180 1.00 0.00 ATOM 759 O GLN A 97 -9.755 90.818 2.557 1.00 0.00 ATOM 760 C GLN A 97 -9.350 89.976 1.751 1.00 0.00 ATOM 761 N GLU A 98 -8.090 89.908 1.371 1.00 0.00 ATOM 762 CA GLU A 98 -7.073 90.846 1.873 1.00 0.00 ATOM 763 CB GLU A 98 -5.673 90.068 1.663 1.00 0.00 ATOM 764 CG GLU A 98 -4.508 90.631 2.456 1.00 0.00 ATOM 765 CD GLU A 98 -4.706 90.488 3.957 1.00 0.00 ATOM 766 OE1 GLU A 98 -4.973 89.355 4.415 1.00 0.00 ATOM 767 OE2 GLU A 98 -4.594 91.503 4.679 1.00 0.00 ATOM 768 O GLU A 98 -6.694 93.212 2.089 1.00 0.00 ATOM 769 C GLU A 98 -7.241 92.309 1.453 1.00 0.00 ATOM 770 N GLY A 99 -7.987 92.551 0.372 1.00 0.00 ATOM 771 CA GLY A 99 -8.215 93.904 -0.112 1.00 0.00 ATOM 772 O GLY A 99 -8.860 96.025 0.769 1.00 0.00 ATOM 773 C GLY A 99 -8.930 94.801 0.864 1.00 0.00 ATOM 774 N VAL A 100 -9.590 94.083 1.867 1.00 0.00 ATOM 775 CA VAL A 100 -10.141 94.839 2.978 1.00 0.00 ATOM 776 CB VAL A 100 -10.966 93.932 3.950 1.00 0.00 ATOM 777 CG1 VAL A 100 -12.056 93.185 3.157 1.00 0.00 ATOM 778 CG2 VAL A 100 -10.054 92.943 4.684 1.00 0.00 ATOM 779 O VAL A 100 -9.670 96.606 4.518 1.00 0.00 ATOM 780 C VAL A 100 -9.209 95.737 3.776 1.00 0.00 ATOM 781 N LYS A 101 -7.901 95.576 3.615 1.00 0.00 ATOM 782 CA LYS A 101 -6.999 96.462 4.332 1.00 0.00 ATOM 783 CB LYS A 101 -6.381 94.998 5.247 1.00 0.00 ATOM 784 CG LYS A 101 -7.450 94.023 5.767 1.00 0.00 ATOM 785 CD LYS A 101 -7.984 94.419 7.153 1.00 0.00 ATOM 786 CE LYS A 101 -6.943 94.158 8.234 1.00 0.00 ATOM 787 NZ LYS A 101 -7.417 94.463 9.617 1.00 0.00 ATOM 788 O LYS A 101 -5.928 98.559 3.870 1.00 0.00 ATOM 789 C LYS A 101 -6.520 97.584 3.409 1.00 0.00 ATOM 790 N SER A 102 -6.925 97.522 2.135 1.00 0.00 ATOM 791 CA SER A 102 -6.534 98.544 1.174 1.00 0.00 ATOM 792 CB SER A 102 -7.163 98.288 -0.188 1.00 0.00 ATOM 793 OG SER A 102 -6.754 97.028 -0.677 1.00 0.00 ATOM 794 O SER A 102 -6.083 100.857 1.518 1.00 0.00 ATOM 795 C SER A 102 -6.895 99.943 1.628 1.00 0.00 ATOM 796 N GLY A 103 -8.082 100.108 2.187 1.00 0.00 ATOM 797 CA GLY A 103 -8.477 101.382 2.765 1.00 0.00 ATOM 798 O GLY A 103 -7.634 102.814 4.484 1.00 0.00 ATOM 799 C GLY A 103 -7.679 101.677 4.021 1.00 0.00 ATOM 800 N MET A 104 -7.076 100.652 4.599 1.00 0.00 ATOM 801 CA MET A 104 -6.294 100.806 5.822 1.00 0.00 ATOM 802 CB MET A 104 -7.287 99.757 6.846 1.00 0.00 ATOM 803 CG MET A 104 -8.717 99.489 6.420 1.00 0.00 ATOM 804 SD MET A 104 -9.682 98.725 7.720 1.00 0.00 ATOM 805 CE MET A 104 -9.732 100.082 8.925 1.00 0.00 ATOM 806 O MET A 104 -4.019 100.669 6.547 1.00 0.00 ATOM 807 C MET A 104 -4.853 100.322 5.711 1.00 0.00 ATOM 808 N TYR A 105 -4.614 99.427 4.664 1.00 0.00 ATOM 809 CA TYR A 105 -3.308 98.808 4.478 1.00 0.00 ATOM 810 CB TYR A 105 -3.337 97.348 5.010 1.00 0.00 ATOM 811 CG TYR A 105 -3.641 97.208 6.484 1.00 0.00 ATOM 812 CD1 TYR A 105 -4.929 97.415 6.975 1.00 0.00 ATOM 813 CD2 TYR A 105 -2.635 96.873 7.390 1.00 0.00 ATOM 814 CE1 TYR A 105 -5.209 97.293 8.337 1.00 0.00 ATOM 815 CE2 TYR A 105 -2.903 96.748 8.753 1.00 0.00 ATOM 816 CZ TYR A 105 -4.192 96.958 9.218 1.00 0.00 ATOM 817 OH TYR A 105 -4.457 96.835 10.564 1.00 0.00 ATOM 818 O TYR A 105 -3.431 98.839 2.053 1.00 0.00 ATOM 819 C TYR A 105 -2.735 98.780 3.068 1.00 0.00 ATOM 820 N VAL A 106 -3.096 97.516 0.802 1.00 0.00 ATOM 821 CA VAL A 106 -3.164 97.629 -0.631 1.00 0.00 ATOM 822 CB VAL A 106 -2.991 99.102 -1.067 1.00 0.00 ATOM 823 CG1 VAL A 106 -2.899 99.205 -2.565 1.00 0.00 ATOM 824 CG2 VAL A 106 -1.606 99.608 -0.689 1.00 0.00 ATOM 825 O VAL A 106 -1.060 96.473 -0.658 1.00 0.00 ATOM 826 C VAL A 106 -2.144 96.677 -1.237 1.00 0.00 ATOM 827 N VAL A 107 -2.469 96.111 -2.386 1.00 0.00 ATOM 828 CA VAL A 107 -1.597 95.158 -3.024 1.00 0.00 ATOM 829 CB VAL A 107 -2.394 94.260 -3.981 1.00 0.00 ATOM 830 CG1 VAL A 107 -1.439 93.304 -4.688 1.00 0.00 ATOM 831 CG2 VAL A 107 -3.438 93.490 -3.171 1.00 0.00 ATOM 832 O VAL A 107 -1.013 96.888 -4.591 1.00 0.00 ATOM 833 C VAL A 107 -0.614 96.018 -3.799 1.00 0.00 ATOM 834 N ILE A 108 0.604 95.782 -3.612 1.00 0.00 ATOM 835 CA ILE A 108 1.646 96.531 -4.299 1.00 0.00 ATOM 836 CB ILE A 108 2.421 97.523 -3.418 1.00 0.00 ATOM 837 CG1 ILE A 108 3.034 96.817 -2.205 1.00 0.00 ATOM 838 CG2 ILE A 108 1.488 98.646 -2.964 1.00 0.00 ATOM 839 CD1 ILE A 108 4.034 97.683 -1.440 1.00 0.00 ATOM 840 O ILE A 108 2.619 94.371 -4.488 1.00 0.00 ATOM 841 C ILE A 108 2.675 95.547 -4.822 1.00 0.00 ATOM 842 N GLU A 109 3.419 96.019 -5.743 1.00 0.00 ATOM 843 CA GLU A 109 4.594 95.264 -6.207 1.00 0.00 ATOM 844 CB GLU A 109 4.673 95.331 -7.753 1.00 0.00 ATOM 845 CG GLU A 109 3.404 94.847 -8.487 1.00 0.00 ATOM 846 CD GLU A 109 3.486 94.944 -9.990 1.00 0.00 ATOM 847 OE1 GLU A 109 4.119 95.995 -10.603 1.00 0.00 ATOM 848 OE2 GLU A 109 3.045 94.028 -10.686 1.00 0.00 ATOM 849 O GLU A 109 6.160 96.939 -5.489 1.00 0.00 ATOM 850 C GLU A 109 5.895 95.734 -5.575 1.00 0.00 ATOM 851 N VAL A 110 6.713 94.803 -5.159 1.00 0.00 ATOM 852 CA VAL A 110 7.960 95.105 -4.493 1.00 0.00 ATOM 853 CB VAL A 110 7.806 94.843 -2.947 1.00 0.00 ATOM 854 CG1 VAL A 110 6.559 95.613 -2.428 1.00 0.00 ATOM 855 CG2 VAL A 110 7.678 93.350 -2.608 1.00 0.00 ATOM 856 O VAL A 110 8.778 93.184 -5.658 1.00 0.00 ATOM 857 C VAL A 110 9.049 94.155 -4.944 1.00 0.00 ATOM 858 N LYS A 111 10.270 94.491 -4.629 1.00 0.00 ATOM 859 CA LYS A 111 11.385 93.678 -5.003 1.00 0.00 ATOM 860 CB LYS A 111 12.358 94.506 -5.881 1.00 0.00 ATOM 861 CG LYS A 111 13.495 93.756 -6.540 1.00 0.00 ATOM 862 CD LYS A 111 14.247 94.658 -7.533 1.00 0.00 ATOM 863 CE LYS A 111 14.939 95.817 -6.831 1.00 0.00 ATOM 864 NZ LYS A 111 15.995 96.495 -7.666 1.00 0.00 ATOM 865 O LYS A 111 12.004 93.618 -2.715 1.00 0.00 ATOM 866 C LYS A 111 11.854 92.988 -3.752 1.00 0.00 ATOM 867 N VAL A 112 12.045 91.697 -3.839 1.00 0.00 ATOM 868 CA VAL A 112 12.475 90.904 -2.714 1.00 0.00 ATOM 869 CB VAL A 112 11.421 89.948 -2.148 1.00 0.00 ATOM 870 CG1 VAL A 112 10.235 90.725 -1.547 1.00 0.00 ATOM 871 CG2 VAL A 112 10.932 88.964 -3.194 1.00 0.00 ATOM 872 O VAL A 112 13.902 89.915 -4.324 1.00 0.00 ATOM 873 C VAL A 112 13.685 90.107 -3.141 1.00 0.00 ATOM 874 N ALA A 113 14.546 89.813 -2.221 1.00 0.00 ATOM 875 CA ALA A 113 15.752 89.087 -2.525 1.00 0.00 ATOM 876 CB ALA A 113 16.968 89.849 -2.025 1.00 0.00 ATOM 877 O ALA A 113 15.552 87.641 -0.638 1.00 0.00 ATOM 878 C ALA A 113 15.757 87.732 -1.845 1.00 0.00 ATOM 879 N THR A 114 16.000 86.714 -2.647 1.00 0.00 ATOM 880 CA THR A 114 16.093 85.340 -2.149 1.00 0.00 ATOM 881 CB THR A 114 15.837 84.344 -3.197 1.00 0.00 ATOM 882 CG2 THR A 114 14.531 84.531 -3.910 1.00 0.00 ATOM 883 OG1 THR A 114 16.925 84.266 -4.103 1.00 0.00 ATOM 884 O THR A 114 18.487 85.735 -1.879 1.00 0.00 ATOM 885 C THR A 114 17.487 85.050 -1.596 1.00 0.00 ATOM 886 N GLN A 115 17.545 84.146 -0.659 1.00 0.00 ATOM 887 CA GLN A 115 18.840 83.680 -0.120 1.00 0.00 ATOM 888 CB GLN A 115 18.507 82.726 1.106 1.00 0.00 ATOM 889 CG GLN A 115 19.720 82.291 1.927 1.00 0.00 ATOM 890 CD GLN A 115 20.534 83.460 2.461 1.00 0.00 ATOM 891 OE1 GLN A 115 19.983 84.446 2.957 1.00 0.00 ATOM 892 NE2 GLN A 115 21.855 83.349 2.369 1.00 0.00 ATOM 893 O GLN A 115 21.019 83.149 -1.022 1.00 0.00 ATOM 894 C GLN A 115 19.777 83.088 -1.168 1.00 0.00 ATOM 895 N GLU A 116 19.151 82.535 -2.247 1.00 0.00 ATOM 896 CA GLU A 116 19.967 82.025 -3.346 1.00 0.00 ATOM 897 CB GLU A 116 19.116 80.916 -4.079 1.00 0.00 ATOM 898 CG GLU A 116 18.602 79.768 -3.214 1.00 0.00 ATOM 899 CD GLU A 116 17.229 80.012 -2.600 1.00 0.00 ATOM 900 OE1 GLU A 116 16.803 81.181 -2.479 1.00 0.00 ATOM 901 OE2 GLU A 116 16.561 79.023 -2.205 1.00 0.00 ATOM 902 O GLU A 116 21.541 83.013 -4.875 1.00 0.00 ATOM 903 C GLU A 116 20.741 83.202 -3.947 1.00 0.00 ATOM 904 N GLY A 117 20.451 84.433 -3.466 1.00 0.00 ATOM 905 CA GLY A 117 21.075 85.637 -3.996 1.00 0.00 ATOM 906 O GLY A 117 20.709 87.258 -5.708 1.00 0.00 ATOM 907 C GLY A 117 20.318 86.226 -5.169 1.00 0.00 ATOM 908 N LYS A 118 19.204 85.508 -5.590 1.00 0.00 ATOM 909 CA LYS A 118 18.415 85.946 -6.728 1.00 0.00 ATOM 910 CB LYS A 118 17.700 84.732 -7.355 1.00 0.00 ATOM 911 CG LYS A 118 16.942 85.139 -8.612 1.00 0.00 ATOM 912 CD LYS A 118 16.376 83.934 -9.359 1.00 0.00 ATOM 913 CE LYS A 118 15.708 84.452 -10.637 1.00 0.00 ATOM 914 NZ LYS A 118 14.654 83.505 -11.103 1.00 0.00 ATOM 915 O LYS A 118 16.649 86.792 -5.327 1.00 0.00 ATOM 916 C LYS A 118 17.332 86.940 -6.339 1.00 0.00 ATOM 917 N GLU A 119 17.207 87.941 -7.144 1.00 0.00 ATOM 918 CA GLU A 119 16.213 88.985 -6.876 1.00 0.00 ATOM 919 CB GLU A 119 16.792 90.328 -7.302 1.00 0.00 ATOM 920 CG GLU A 119 18.246 90.464 -6.879 1.00 0.00 ATOM 921 CD GLU A 119 18.796 91.856 -7.069 1.00 0.00 ATOM 922 OE1 GLU A 119 18.656 92.406 -8.188 1.00 0.00 ATOM 923 OE2 GLU A 119 19.377 92.392 -6.103 1.00 0.00 ATOM 924 O GLU A 119 14.972 88.332 -8.861 1.00 0.00 ATOM 925 C GLU A 119 14.932 88.780 -7.697 1.00 0.00 ATOM 926 N ILE A 120 13.836 89.098 -7.108 1.00 0.00 ATOM 927 CA ILE A 120 12.531 88.952 -7.770 1.00 0.00 ATOM 928 CB ILE A 120 11.878 87.572 -7.392 1.00 0.00 ATOM 929 CG1 ILE A 120 11.656 87.520 -5.877 1.00 0.00 ATOM 930 CG2 ILE A 120 12.746 86.410 -7.850 1.00 0.00 ATOM 931 CD1 ILE A 120 10.946 86.262 -5.407 1.00 0.00 ATOM 932 O ILE A 120 11.869 90.847 -6.540 1.00 0.00 ATOM 933 C ILE A 120 11.666 90.128 -7.510 1.00 0.00 ATOM 934 N THR A 121 10.620 90.234 -8.363 1.00 0.00 ATOM 935 CA THR A 121 9.509 91.141 -8.219 1.00 0.00 ATOM 936 CB THR A 121 9.147 91.750 -9.576 1.00 0.00 ATOM 937 CG2 THR A 121 7.985 92.770 -9.422 1.00 0.00 ATOM 938 OG1 THR A 121 10.242 92.491 -10.132 1.00 0.00 ATOM 939 O THR A 121 7.990 89.325 -8.430 1.00 0.00 ATOM 940 C THR A 121 8.303 90.337 -7.809 1.00 0.00 ATOM 941 N CYS A 122 7.691 90.716 -6.726 1.00 0.00 ATOM 942 CA CYS A 122 6.547 89.993 -6.208 1.00 0.00 ATOM 943 CB CYS A 122 6.925 89.081 -5.037 1.00 0.00 ATOM 944 SG CYS A 122 7.524 89.959 -3.576 1.00 0.00 ATOM 945 O CYS A 122 5.691 92.204 -5.866 1.00 0.00 ATOM 946 C CYS A 122 5.481 90.984 -5.787 1.00 0.00 ATOM 947 N ARG A 123 4.360 90.484 -5.342 1.00 0.00 ATOM 948 CA ARG A 123 3.326 91.337 -4.800 1.00 0.00 ATOM 949 CB ARG A 123 1.953 90.909 -5.301 1.00 0.00 ATOM 950 CG ARG A 123 1.745 91.257 -6.764 1.00 0.00 ATOM 951 CD ARG A 123 0.486 90.633 -7.352 1.00 0.00 ATOM 952 NE ARG A 123 0.363 90.974 -8.770 1.00 0.00 ATOM 953 CZ ARG A 123 0.161 92.205 -9.227 1.00 0.00 ATOM 954 NH1 ARG A 123 0.046 93.219 -8.377 1.00 0.00 ATOM 955 NH2 ARG A 123 0.092 92.423 -10.532 1.00 0.00 ATOM 956 O ARG A 123 3.968 90.292 -2.768 1.00 0.00 ATOM 957 C ARG A 123 3.382 91.223 -3.301 1.00 0.00 ATOM 958 N SER A 124 2.931 92.223 -2.639 1.00 0.00 ATOM 959 CA SER A 124 2.816 92.203 -1.223 1.00 0.00 ATOM 960 CB SER A 124 4.141 92.601 -0.574 1.00 0.00 ATOM 961 OG SER A 124 4.453 93.957 -0.839 1.00 0.00 ATOM 962 O SER A 124 1.045 93.706 -1.785 1.00 0.00 ATOM 963 C SER A 124 1.696 93.154 -0.874 1.00 0.00 ATOM 964 N TYR A 125 1.386 93.254 0.364 1.00 0.00 ATOM 965 CA TYR A 125 0.346 94.114 0.793 1.00 0.00 ATOM 966 CB TYR A 125 -0.809 93.398 1.513 1.00 0.00 ATOM 967 CG TYR A 125 -1.593 92.420 0.649 1.00 0.00 ATOM 968 CD1 TYR A 125 -1.000 91.264 0.147 1.00 0.00 ATOM 969 CD2 TYR A 125 -2.961 92.624 0.392 1.00 0.00 ATOM 970 CE1 TYR A 125 -1.720 90.356 -0.608 1.00 0.00 ATOM 971 CE2 TYR A 125 -3.703 91.703 -0.381 1.00 0.00 ATOM 972 CZ TYR A 125 -3.062 90.573 -0.863 1.00 0.00 ATOM 973 OH TYR A 125 -3.764 89.662 -1.612 1.00 0.00 ATOM 974 O TYR A 125 1.643 94.813 2.670 1.00 0.00 ATOM 975 C TYR A 125 0.995 95.137 1.675 1.00 0.00 ATOM 976 N LEU A 126 0.819 96.364 1.307 1.00 0.00 ATOM 977 CA LEU A 126 1.477 97.460 1.950 1.00 0.00 ATOM 978 CB LEU A 126 1.925 98.480 0.927 1.00 0.00 ATOM 979 CG LEU A 126 2.577 99.730 1.422 1.00 0.00 ATOM 980 CD1 LEU A 126 3.816 99.479 2.281 1.00 0.00 ATOM 981 CD2 LEU A 126 2.952 100.524 0.169 1.00 0.00 ATOM 982 O LEU A 126 -0.641 98.522 2.224 1.00 0.00 ATOM 983 C LEU A 126 0.474 98.278 2.711 1.00 0.00 ATOM 984 N MET A 127 0.892 98.763 3.856 1.00 0.00 ATOM 985 CA MET A 127 0.070 99.575 4.689 1.00 0.00 ATOM 986 CB MET A 127 0.735 99.780 6.053 1.00 0.00 ATOM 987 CG MET A 127 -0.124 100.541 7.051 1.00 0.00 ATOM 988 SD MET A 127 0.677 100.724 8.656 1.00 0.00 ATOM 989 CE MET A 127 1.891 101.987 8.285 1.00 0.00 ATOM 990 O MET A 127 0.824 101.656 3.729 1.00 0.00 ATOM 991 C MET A 127 -0.139 100.927 4.046 1.00 0.00 ATOM 992 N THR A 128 -1.372 101.233 3.817 1.00 0.00 ATOM 993 CA THR A 128 -1.758 102.378 3.058 1.00 0.00 ATOM 994 CB THR A 128 -3.262 102.431 2.755 1.00 0.00 ATOM 995 CG2 THR A 128 -3.652 103.765 2.135 1.00 0.00 ATOM 996 OG1 THR A 128 -3.580 101.384 1.828 1.00 0.00 ATOM 997 O THR A 128 -1.041 104.663 3.134 1.00 0.00 ATOM 998 C THR A 128 -1.430 103.685 3.776 1.00 0.00 ATOM 999 N ASN A 129 -1.695 103.668 5.033 1.00 0.00 ATOM 1000 CA ASN A 129 -1.416 104.847 5.857 1.00 0.00 ATOM 1001 CB ASN A 129 -2.291 104.840 7.111 1.00 0.00 ATOM 1002 CG ASN A 129 -2.160 106.115 7.920 1.00 0.00 ATOM 1003 ND2 ASN A 129 -3.183 106.421 8.710 1.00 0.00 ATOM 1004 OD1 ASN A 129 -1.153 106.814 7.833 1.00 0.00 ATOM 1005 O ASN A 129 0.424 104.259 7.259 1.00 0.00 ATOM 1006 C ASN A 129 0.044 104.899 6.312 1.00 0.00 ATOM 1007 N TYR A 130 0.853 105.646 5.608 1.00 0.00 ATOM 1008 CA TYR A 130 2.291 105.667 5.865 1.00 0.00 ATOM 1009 CB TYR A 130 3.012 106.419 4.744 1.00 0.00 ATOM 1010 CG TYR A 130 3.027 105.685 3.423 1.00 0.00 ATOM 1011 CD1 TYR A 130 2.171 106.053 2.395 1.00 0.00 ATOM 1012 CD2 TYR A 130 3.900 104.623 3.210 1.00 0.00 ATOM 1013 CE1 TYR A 130 2.178 105.387 1.185 1.00 0.00 ATOM 1014 CE2 TYR A 130 3.920 103.945 2.004 1.00 0.00 ATOM 1015 CZ TYR A 130 3.047 104.334 0.990 1.00 0.00 ATOM 1016 OH TYR A 130 3.059 103.670 -0.216 1.00 0.00 ATOM 1017 O TYR A 130 3.619 105.904 7.852 1.00 0.00 ATOM 1018 C TYR A 130 2.635 106.287 7.212 1.00 0.00 ATOM 1019 N GLU A 131 1.902 107.292 7.596 1.00 0.00 ATOM 1020 CA GLU A 131 2.100 107.909 8.874 1.00 0.00 ATOM 1021 CB GLU A 131 2.363 109.434 8.636 1.00 0.00 ATOM 1022 CG GLU A 131 3.386 109.697 7.534 1.00 0.00 ATOM 1023 CD GLU A 131 3.389 111.116 7.056 1.00 0.00 ATOM 1024 OE1 GLU A 131 3.560 111.411 5.863 1.00 0.00 ATOM 1025 OE2 GLU A 131 3.199 111.996 7.969 1.00 0.00 ATOM 1026 O GLU A 131 0.054 108.068 10.080 1.00 0.00 ATOM 1027 C GLU A 131 1.090 107.437 9.885 1.00 0.00 ATOM 1028 N SER A 132 1.418 106.391 10.599 1.00 0.00 ATOM 1029 CA SER A 132 0.478 105.797 11.534 1.00 0.00 ATOM 1030 CB SER A 132 0.145 104.441 10.968 1.00 0.00 ATOM 1031 OG SER A 132 -0.788 104.689 9.923 1.00 0.00 ATOM 1032 O SER A 132 1.834 104.491 12.996 1.00 0.00 ATOM 1033 C SER A 132 1.063 105.432 12.886 1.00 0.00 ATOM 1034 N ALA A 133 0.618 106.066 13.975 1.00 0.00 ATOM 1035 CA ALA A 133 1.114 105.751 15.308 1.00 0.00 ATOM 1036 CB ALA A 133 0.710 106.882 16.241 1.00 0.00 ATOM 1037 O ALA A 133 1.357 103.727 16.577 1.00 0.00 ATOM 1038 C ALA A 133 0.603 104.404 15.844 1.00 0.00 ATOM 1039 N PRO A 134 -0.657 103.907 15.506 1.00 0.00 ATOM 1040 CA PRO A 134 -1.162 102.598 15.945 1.00 0.00 ATOM 1041 CB PRO A 134 -2.537 102.494 15.289 1.00 0.00 ATOM 1042 CG PRO A 134 -2.981 103.915 15.104 1.00 0.00 ATOM 1043 CD PRO A 134 -1.699 104.681 14.812 1.00 0.00 ATOM 1044 O PRO A 134 0.246 100.751 16.491 1.00 0.00 ATOM 1045 C PRO A 134 -0.202 101.480 15.562 1.00 0.00 ATOM 1046 N PRO A 135 0.036 101.259 14.355 1.00 0.00 ATOM 1047 CA PRO A 135 0.962 100.153 14.061 1.00 0.00 ATOM 1048 CB PRO A 135 0.171 99.599 12.784 1.00 0.00 ATOM 1049 CG PRO A 135 0.165 100.876 12.007 1.00 0.00 ATOM 1050 CD PRO A 135 -0.105 101.922 13.004 1.00 0.00 ATOM 1051 O PRO A 135 3.173 100.677 13.365 1.00 0.00 ATOM 1052 C PRO A 135 2.404 100.582 14.301 1.00 0.00 ATOM 1053 N SER A 136 2.740 100.873 15.557 1.00 0.00 ATOM 1054 CA SER A 136 4.051 101.407 15.912 1.00 0.00 ATOM 1055 CB SER A 136 4.004 102.888 16.644 1.00 0.00 ATOM 1056 OG SER A 136 3.652 102.511 17.956 1.00 0.00 ATOM 1057 O SER A 136 6.208 101.054 16.965 1.00 0.00 ATOM 1058 C SER A 136 5.088 100.593 16.706 1.00 0.00 ATOM 1059 N PRO A 137 4.784 99.261 17.062 1.00 0.00 ATOM 1060 CA PRO A 137 5.786 98.470 17.720 1.00 0.00 ATOM 1061 CB PRO A 137 4.979 97.481 18.562 1.00 0.00 ATOM 1062 CG PRO A 137 3.570 97.961 18.560 1.00 0.00 ATOM 1063 CD PRO A 137 3.464 98.658 17.207 1.00 0.00 ATOM 1064 O PRO A 137 6.532 97.594 15.631 1.00 0.00 ATOM 1065 C PRO A 137 6.765 97.739 16.820 1.00 0.00 ATOM 1066 N GLN A 138 7.870 97.322 17.467 1.00 0.00 ATOM 1067 CA GLN A 138 8.986 96.626 16.866 1.00 0.00 ATOM 1068 CB GLN A 138 10.255 97.412 16.970 1.00 0.00 ATOM 1069 CG GLN A 138 10.147 98.722 16.208 1.00 0.00 ATOM 1070 CD GLN A 138 11.174 99.733 16.591 1.00 0.00 ATOM 1071 OE1 GLN A 138 12.341 99.398 16.803 1.00 0.00 ATOM 1072 NE2 GLN A 138 10.775 101.005 16.655 1.00 0.00 ATOM 1073 O GLN A 138 8.027 94.490 17.358 1.00 0.00 ATOM 1074 C GLN A 138 8.629 95.200 16.540 1.00 0.00 ATOM 1075 N TYR A 139 8.949 94.791 15.347 1.00 0.00 ATOM 1076 CA TYR A 139 8.643 93.473 14.907 1.00 0.00 ATOM 1077 CB TYR A 139 8.661 93.359 13.371 1.00 0.00 ATOM 1078 CG TYR A 139 8.031 92.080 12.870 1.00 0.00 ATOM 1079 CD1 TYR A 139 6.660 91.981 12.700 1.00 0.00 ATOM 1080 CD2 TYR A 139 8.810 90.957 12.598 1.00 0.00 ATOM 1081 CE1 TYR A 139 6.072 90.793 12.268 1.00 0.00 ATOM 1082 CE2 TYR A 139 8.232 89.758 12.165 1.00 0.00 ATOM 1083 CZ TYR A 139 6.867 89.685 12.013 1.00 0.00 ATOM 1084 OH TYR A 139 6.293 88.505 11.593 1.00 0.00 ATOM 1085 O TYR A 139 10.812 92.998 15.825 1.00 0.00 ATOM 1086 C TYR A 139 9.749 92.529 15.397 1.00 0.00 ATOM 1087 N LYS A 140 9.411 91.234 15.534 1.00 0.00 ATOM 1088 CA LYS A 140 10.333 90.184 16.027 1.00 0.00 ATOM 1089 CB LYS A 140 9.726 88.796 15.817 1.00 0.00 ATOM 1090 CG LYS A 140 10.586 87.658 16.335 1.00 0.00 ATOM 1091 CD LYS A 140 9.897 86.316 16.153 1.00 0.00 ATOM 1092 CE LYS A 140 10.779 85.172 16.626 1.00 0.00 ATOM 1093 NZ LYS A 140 10.108 83.851 16.474 1.00 0.00 ATOM 1094 O LYS A 140 12.707 89.917 15.760 1.00 0.00 ATOM 1095 C LYS A 140 11.626 90.147 15.214 1.00 0.00 ATOM 1096 N LYS A 141 11.513 90.420 13.960 1.00 0.00 ATOM 1097 CA LYS A 141 12.685 90.409 13.089 1.00 0.00 ATOM 1098 CB LYS A 141 12.425 90.491 11.633 1.00 0.00 ATOM 1099 CG LYS A 141 11.702 89.289 11.108 1.00 0.00 ATOM 1100 CD LYS A 141 12.586 88.041 11.008 1.00 0.00 ATOM 1101 CE LYS A 141 11.642 86.889 11.414 1.00 0.00 ATOM 1102 NZ LYS A 141 11.690 85.798 10.415 1.00 0.00 ATOM 1103 O LYS A 141 14.868 91.322 13.477 1.00 0.00 ATOM 1104 C LYS A 141 13.655 91.527 13.447 1.00 0.00 ATOM 1105 N ILE A 142 13.109 92.692 13.780 1.00 0.00 ATOM 1106 CA ILE A 142 13.931 93.836 14.143 1.00 0.00 ATOM 1107 CB ILE A 142 13.072 95.120 14.230 1.00 0.00 ATOM 1108 CG1 ILE A 142 12.518 95.454 12.839 1.00 0.00 ATOM 1109 CG2 ILE A 142 13.895 96.277 14.786 1.00 0.00 ATOM 1110 CD1 ILE A 142 11.587 96.651 12.815 1.00 0.00 ATOM 1111 O ILE A 142 15.843 93.839 15.596 1.00 0.00 ATOM 1112 C ILE A 142 14.647 93.581 15.469 1.00 0.00 ATOM 1113 N ILE A 143 13.919 93.090 16.459 1.00 0.00 ATOM 1114 CA ILE A 143 14.513 92.805 17.761 1.00 0.00 ATOM 1115 CB ILE A 143 13.333 92.345 18.686 1.00 0.00 ATOM 1116 CG1 ILE A 143 12.428 93.552 18.974 1.00 0.00 ATOM 1117 CG2 ILE A 143 13.880 91.729 19.971 1.00 0.00 ATOM 1118 CD1 ILE A 143 11.128 93.158 19.702 1.00 0.00 ATOM 1119 O ILE A 143 16.658 91.832 18.217 1.00 0.00 ATOM 1120 C ILE A 143 15.584 91.736 17.625 1.00 0.00 ATOM 1121 N CYS A 144 15.287 90.694 16.818 1.00 0.00 ATOM 1122 CA CYS A 144 16.247 89.609 16.655 1.00 0.00 ATOM 1123 CB CYS A 144 15.666 88.453 15.873 1.00 0.00 ATOM 1124 SG CYS A 144 14.393 87.538 16.796 1.00 0.00 ATOM 1125 O CYS A 144 18.642 89.709 16.390 1.00 0.00 ATOM 1126 C CYS A 144 17.540 90.093 15.987 1.00 0.00 ATOM 1127 N MET A 145 17.399 90.974 15.000 1.00 0.00 ATOM 1128 CA MET A 145 18.556 91.494 14.307 1.00 0.00 ATOM 1129 CB MET A 145 17.967 92.740 13.388 1.00 0.00 ATOM 1130 CG MET A 145 18.552 93.040 12.020 1.00 0.00 ATOM 1131 SD MET A 145 17.890 94.511 11.243 1.00 0.00 ATOM 1132 CE MET A 145 16.246 93.937 10.780 1.00 0.00 ATOM 1133 O MET A 145 20.574 92.439 15.198 1.00 0.00 ATOM 1134 C MET A 145 19.344 92.387 15.260 1.00 0.00 ATOM 1135 N GLY A 146 18.639 93.126 16.124 1.00 0.00 ATOM 1136 CA GLY A 146 19.311 93.976 17.092 1.00 0.00 ATOM 1137 O GLY A 146 21.307 93.367 18.294 1.00 0.00 ATOM 1138 C GLY A 146 20.159 93.048 17.972 1.00 0.00 ATOM 1139 N ALA A 147 19.611 91.878 18.313 1.00 0.00 ATOM 1140 CA ALA A 147 20.354 90.898 19.107 1.00 0.00 ATOM 1141 CB ALA A 147 19.547 89.617 19.360 1.00 0.00 ATOM 1142 O ALA A 147 22.706 90.368 18.972 1.00 0.00 ATOM 1143 C ALA A 147 21.636 90.505 18.364 1.00 0.00 ATOM 1144 N LYS A 148 21.530 90.342 17.050 1.00 0.00 ATOM 1145 CA LYS A 148 22.688 89.956 16.247 1.00 0.00 ATOM 1146 CB LYS A 148 22.306 89.673 14.819 1.00 0.00 ATOM 1147 CG LYS A 148 23.466 89.255 13.935 1.00 0.00 ATOM 1148 CD LYS A 148 24.090 87.952 14.404 1.00 0.00 ATOM 1149 CE LYS A 148 25.236 87.547 13.491 1.00 0.00 ATOM 1150 NZ LYS A 148 25.870 86.274 13.922 1.00 0.00 ATOM 1151 O LYS A 148 24.926 90.781 16.507 1.00 0.00 ATOM 1152 C LYS A 148 23.748 91.055 16.283 1.00 0.00 ATOM 1153 N GLU A 149 23.311 92.300 16.139 1.00 0.00 ATOM 1154 CA GLU A 149 24.234 93.433 16.165 1.00 0.00 ATOM 1155 CB GLU A 149 23.553 94.741 15.914 1.00 0.00 ATOM 1156 CG GLU A 149 22.846 94.822 14.576 1.00 0.00 ATOM 1157 CD GLU A 149 23.694 94.368 13.400 1.00 0.00 ATOM 1158 OE1 GLU A 149 23.092 93.757 12.472 1.00 0.00 ATOM 1159 OE2 GLU A 149 24.917 94.590 13.373 1.00 0.00 ATOM 1160 O GLU A 149 25.946 94.172 17.673 1.00 0.00 ATOM 1161 C GLU A 149 24.880 93.565 17.542 1.00 0.00 ATOM 1162 N ASN A 150 24.191 93.083 18.577 1.00 0.00 ATOM 1163 CA ASN A 150 24.711 93.132 19.946 1.00 0.00 ATOM 1164 CB ASN A 150 23.605 93.447 20.919 1.00 0.00 ATOM 1165 CG ASN A 150 23.254 94.904 20.924 1.00 0.00 ATOM 1166 ND2 ASN A 150 22.174 95.288 20.209 1.00 0.00 ATOM 1167 OD1 ASN A 150 23.986 95.700 21.538 1.00 0.00 ATOM 1168 O ASN A 150 26.033 91.749 21.372 1.00 0.00 ATOM 1169 C ASN A 150 25.419 91.815 20.305 1.00 0.00 ATOM 1170 N GLY A 151 25.461 90.836 19.361 1.00 0.00 ATOM 1171 CA GLY A 151 26.178 89.595 19.617 1.00 0.00 ATOM 1172 O GLY A 151 26.265 88.170 21.557 1.00 0.00 ATOM 1173 C GLY A 151 25.569 88.864 20.805 1.00 0.00 ATOM 1174 N LEU A 152 24.172 89.017 21.021 1.00 0.00 ATOM 1175 CA LEU A 152 23.495 88.362 22.133 1.00 0.00 ATOM 1176 CB LEU A 152 21.980 88.567 22.049 1.00 0.00 ATOM 1177 CG LEU A 152 21.492 89.942 22.511 1.00 0.00 ATOM 1178 CD1 LEU A 152 19.994 90.051 22.313 1.00 0.00 ATOM 1179 CD2 LEU A 152 21.848 90.144 23.980 1.00 0.00 ATOM 1180 O LEU A 152 23.673 86.186 21.147 1.00 0.00 ATOM 1181 C LEU A 152 23.737 86.858 22.171 1.00 0.00 ATOM 1182 N PRO A 153 24.044 86.338 23.362 1.00 0.00 ATOM 1183 CA PRO A 153 24.320 84.905 23.497 1.00 0.00 ATOM 1184 CB PRO A 153 24.879 84.788 24.919 1.00 0.00 ATOM 1185 CG PRO A 153 25.371 86.175 25.234 1.00 0.00 ATOM 1186 CD PRO A 153 24.311 87.039 24.628 1.00 0.00 ATOM 1187 O PRO A 153 21.953 84.536 23.054 1.00 0.00 ATOM 1188 C PRO A 153 23.078 84.048 23.208 1.00 0.00 ATOM 1189 N LEU A 154 23.328 82.738 23.024 1.00 0.00 ATOM 1190 CA LEU A 154 22.266 81.803 22.747 1.00 0.00 ATOM 1191 CB LEU A 154 22.856 80.362 22.570 1.00 0.00 ATOM 1192 CG LEU A 154 23.654 80.113 21.272 1.00 0.00 ATOM 1193 CD1 LEU A 154 24.336 78.757 21.455 1.00 0.00 ATOM 1194 CD2 LEU A 154 22.699 80.136 20.100 1.00 0.00 ATOM 1195 O LEU A 154 20.010 81.849 23.544 1.00 0.00 ATOM 1196 C LEU A 154 21.205 81.891 23.827 1.00 0.00 ATOM 1197 N GLU A 155 21.674 82.063 25.053 1.00 0.00 ATOM 1198 CA GLU A 155 20.760 82.161 26.183 1.00 0.00 ATOM 1199 CB GLU A 155 21.448 82.146 27.550 1.00 0.00 ATOM 1200 CG GLU A 155 22.047 80.800 27.929 1.00 0.00 ATOM 1201 CD GLU A 155 22.823 80.857 29.232 1.00 0.00 ATOM 1202 OE1 GLU A 155 22.954 81.960 29.798 1.00 0.00 ATOM 1203 OE2 GLU A 155 23.302 79.794 29.682 1.00 0.00 ATOM 1204 O GLU A 155 18.725 83.439 26.080 1.00 0.00 ATOM 1205 C GLU A 155 19.957 83.446 25.993 1.00 0.00 ATOM 1206 N TYR A 156 20.641 84.547 25.761 1.00 0.00 ATOM 1207 CA TYR A 156 19.941 85.813 25.564 1.00 0.00 ATOM 1208 CB TYR A 156 20.947 86.965 25.515 1.00 0.00 ATOM 1209 CG TYR A 156 21.554 87.298 26.865 1.00 0.00 ATOM 1210 CD1 TYR A 156 21.333 86.480 27.975 1.00 0.00 ATOM 1211 CD2 TYR A 156 22.325 88.440 27.040 1.00 0.00 ATOM 1212 CE1 TYR A 156 21.861 86.797 29.226 1.00 0.00 ATOM 1213 CE2 TYR A 156 22.858 88.763 28.284 1.00 0.00 ATOM 1214 CZ TYR A 156 22.618 87.943 29.371 1.00 0.00 ATOM 1215 OH TYR A 156 23.098 88.297 30.613 1.00 0.00 ATOM 1216 O TYR A 156 18.067 86.434 24.277 1.00 0.00 ATOM 1217 C TYR A 156 19.114 85.784 24.306 1.00 0.00 ATOM 1218 N GLN A 157 19.542 85.115 23.244 1.00 0.00 ATOM 1219 CA GLN A 157 18.769 85.062 22.025 1.00 0.00 ATOM 1220 CB GLN A 157 19.626 84.432 20.911 1.00 0.00 ATOM 1221 CG GLN A 157 20.720 85.353 20.455 1.00 0.00 ATOM 1222 CD GLN A 157 21.673 84.718 19.421 1.00 0.00 ATOM 1223 OE1 GLN A 157 21.464 84.844 18.212 1.00 0.00 ATOM 1224 NE2 GLN A 157 22.723 84.122 19.892 1.00 0.00 ATOM 1225 O GLN A 157 16.439 84.710 21.731 1.00 0.00 ATOM 1226 C GLN A 157 17.455 84.339 22.312 1.00 0.00 ATOM 1227 N GLU A 158 17.528 83.276 23.089 1.00 0.00 ATOM 1228 CA GLU A 158 16.271 82.552 23.397 1.00 0.00 ATOM 1229 CB GLU A 158 16.502 81.410 24.354 1.00 0.00 ATOM 1230 CG GLU A 158 17.187 80.213 23.727 1.00 0.00 ATOM 1231 CD GLU A 158 17.585 79.157 24.747 1.00 0.00 ATOM 1232 OE1 GLU A 158 17.246 79.308 25.942 1.00 0.00 ATOM 1233 OE2 GLU A 158 18.240 78.174 24.349 1.00 0.00 ATOM 1234 O GLU A 158 14.108 83.579 23.740 1.00 0.00 ATOM 1235 C GLU A 158 15.301 83.505 24.086 1.00 0.00 ATOM 1236 N LYS A 159 15.783 84.211 25.112 1.00 0.00 ATOM 1237 CA LYS A 159 14.918 85.109 25.856 1.00 0.00 ATOM 1238 CB LYS A 159 15.667 85.721 27.040 1.00 0.00 ATOM 1239 CG LYS A 159 16.000 84.727 28.144 1.00 0.00 ATOM 1240 CD LYS A 159 16.735 85.401 29.287 1.00 0.00 ATOM 1241 CE LYS A 159 17.098 84.405 30.377 1.00 0.00 ATOM 1242 NZ LYS A 159 17.842 85.046 31.495 1.00 0.00 ATOM 1243 O LYS A 159 13.193 86.550 25.004 1.00 0.00 ATOM 1244 C LYS A 159 14.391 86.230 24.966 1.00 0.00 ATOM 1245 N LEU A 160 15.248 86.829 24.155 1.00 0.00 ATOM 1246 CA LEU A 160 14.825 87.894 23.268 1.00 0.00 ATOM 1247 CB LEU A 160 16.046 88.505 22.590 1.00 0.00 ATOM 1248 CG LEU A 160 15.780 89.775 21.789 1.00 0.00 ATOM 1249 CD1 LEU A 160 15.129 90.865 22.641 1.00 0.00 ATOM 1250 CD2 LEU A 160 17.066 90.291 21.169 1.00 0.00 ATOM 1251 O LEU A 160 12.707 87.905 22.124 1.00 0.00 ATOM 1252 C LEU A 160 13.803 87.356 22.266 1.00 0.00 ATOM 1253 N LYS A 161 14.101 86.202 21.649 1.00 0.00 ATOM 1254 CA LYS A 161 13.198 85.609 20.674 1.00 0.00 ATOM 1255 CB LYS A 161 13.878 84.471 19.920 1.00 0.00 ATOM 1256 CG LYS A 161 14.941 84.931 18.932 1.00 0.00 ATOM 1257 CD LYS A 161 15.602 83.721 18.265 1.00 0.00 ATOM 1258 CE LYS A 161 16.855 84.109 17.492 1.00 0.00 ATOM 1259 NZ LYS A 161 17.550 82.880 16.986 1.00 0.00 ATOM 1260 O LYS A 161 10.970 84.741 20.536 1.00 0.00 ATOM 1261 C LYS A 161 11.886 85.098 21.270 1.00 0.00 ATOM 1262 N ALA A 162 11.887 84.837 22.572 1.00 0.00 ATOM 1263 CA ALA A 162 10.718 84.268 23.226 1.00 0.00 ATOM 1264 CB ALA A 162 11.160 83.177 24.226 1.00 0.00 ATOM 1265 O ALA A 162 8.650 85.087 24.081 1.00 0.00 ATOM 1266 C ALA A 162 9.802 85.353 23.752 1.00 0.00 ATOM 1267 N ILE A 163 10.342 86.550 23.917 1.00 0.00 ATOM 1268 CA ILE A 163 9.574 87.639 24.515 1.00 0.00 ATOM 1269 CB ILE A 163 10.502 88.805 24.921 1.00 0.00 ATOM 1270 CG1 ILE A 163 11.390 88.380 26.131 1.00 0.00 ATOM 1271 CG2 ILE A 163 9.720 90.060 25.265 1.00 0.00 ATOM 1272 CD1 ILE A 163 12.651 89.266 26.285 1.00 0.00 ATOM 1273 O ILE A 163 7.327 88.321 23.996 1.00 0.00 ATOM 1274 C ILE A 163 8.445 88.038 23.559 1.00 0.00 ATOM 1275 N GLU A 164 8.737 88.075 22.261 1.00 0.00 ATOM 1276 CA GLU A 164 7.708 88.448 21.298 1.00 0.00 ATOM 1277 CB GLU A 164 8.375 87.919 19.828 1.00 0.00 ATOM 1278 CG GLU A 164 9.873 88.030 19.589 1.00 0.00 ATOM 1279 CD GLU A 164 10.343 89.469 19.469 1.00 0.00 ATOM 1280 OE1 GLU A 164 9.604 90.297 18.894 1.00 0.00 ATOM 1281 OE2 GLU A 164 11.457 89.773 19.939 1.00 0.00 ATOM 1282 O GLU A 164 5.404 87.709 21.406 1.00 0.00 ATOM 1283 C GLU A 164 6.598 87.382 21.321 1.00 0.00 ATOM 1284 N PRO A 165 6.972 86.105 21.310 1.00 0.00 ATOM 1285 CA PRO A 165 5.928 85.076 21.348 1.00 0.00 ATOM 1286 CB PRO A 165 6.720 83.765 21.226 1.00 0.00 ATOM 1287 CG PRO A 165 7.995 84.163 20.551 1.00 0.00 ATOM 1288 CD PRO A 165 8.312 85.515 21.097 1.00 0.00 ATOM 1289 O PRO A 165 3.970 84.808 22.702 1.00 0.00 ATOM 1290 C PRO A 165 5.176 85.053 22.669 1.00 0.00 ATOM 1291 N ASN A 166 5.855 85.379 23.838 1.00 0.00 ATOM 1292 CA ASN A 166 5.203 85.424 25.135 1.00 0.00 ATOM 1293 CB ASN A 166 6.161 85.673 26.261 1.00 0.00 ATOM 1294 CG ASN A 166 5.476 85.641 27.617 1.00 0.00 ATOM 1295 ND2 ASN A 166 5.403 86.794 28.278 1.00 0.00 ATOM 1296 OD1 ASN A 166 5.014 84.591 28.063 1.00 0.00 ATOM 1297 O ASN A 166 3.069 86.428 25.584 1.00 0.00 ATOM 1298 C ASN A 166 4.203 86.581 25.139 1.00 0.00 ATOM 1299 N ASP A 167 4.608 87.742 24.636 1.00 0.00 ATOM 1300 CA ASP A 167 3.723 88.902 24.593 1.00 0.00 ATOM 1301 CB ASP A 167 4.390 90.120 24.015 1.00 0.00 ATOM 1302 CG ASP A 167 5.456 90.678 24.936 1.00 0.00 ATOM 1303 OD1 ASP A 167 5.262 90.668 26.170 1.00 0.00 ATOM 1304 OD2 ASP A 167 6.515 91.159 24.497 1.00 0.00 ATOM 1305 O ASP A 167 1.387 88.975 24.018 1.00 0.00 ATOM 1306 C ASP A 167 2.521 88.619 23.695 1.00 0.00 ATOM 1307 N TYR A 168 2.794 87.995 22.560 1.00 0.00 ATOM 1308 CA TYR A 168 1.747 87.673 21.599 1.00 0.00 ATOM 1309 CB TYR A 168 2.360 86.469 20.647 1.00 0.00 ATOM 1310 CG TYR A 168 1.659 86.109 19.351 1.00 0.00 ATOM 1311 CD1 TYR A 168 1.872 86.843 18.184 1.00 0.00 ATOM 1312 CD2 TYR A 168 0.808 85.003 19.286 1.00 0.00 ATOM 1313 CE1 TYR A 168 1.269 86.471 16.979 1.00 0.00 ATOM 1314 CE2 TYR A 168 0.199 84.627 18.092 1.00 0.00 ATOM 1315 CZ TYR A 168 0.432 85.365 16.942 1.00 0.00 ATOM 1316 OH TYR A 168 -0.141 84.967 15.753 1.00 0.00 ATOM 1317 O TYR A 168 -0.454 86.846 22.109 1.00 0.00 ATOM 1318 C TYR A 168 0.761 86.699 22.249 1.00 0.00 ATOM 1319 N THR A 169 1.289 85.685 22.891 1.00 0.00 ATOM 1320 CA THR A 169 0.417 84.703 23.532 1.00 0.00 ATOM 1321 CB THR A 169 1.250 83.622 24.251 1.00 0.00 ATOM 1322 CG2 THR A 169 0.340 82.631 24.957 1.00 0.00 ATOM 1323 OG1 THR A 169 2.048 82.921 23.293 1.00 0.00 ATOM 1324 O THR A 169 -1.645 84.899 24.730 1.00 0.00 ATOM 1325 C THR A 169 -0.497 85.315 24.585 1.00 0.00 ATOM 1326 N GLY A 170 -0.000 86.316 25.302 1.00 0.00 ATOM 1327 CA GLY A 170 -0.797 86.989 26.325 1.00 0.00 ATOM 1328 O GLY A 170 -2.058 89.034 26.465 1.00 0.00 ATOM 1329 C GLY A 170 -1.502 88.204 25.740 1.00 0.00 ATOM 1330 N LYS A 171 -1.439 88.458 24.371 1.00 0.00 ATOM 1331 CA LYS A 171 -2.011 89.644 23.753 1.00 0.00 ATOM 1332 CB LYS A 171 -3.333 89.309 23.160 1.00 0.00 ATOM 1333 CG LYS A 171 -4.393 88.813 24.142 1.00 0.00 ATOM 1334 CD LYS A 171 -4.366 87.321 24.342 1.00 0.00 ATOM 1335 CE LYS A 171 -4.907 86.771 25.634 1.00 0.00 ATOM 1336 NZ LYS A 171 -4.741 85.286 25.759 1.00 0.00 ATOM 1337 O LYS A 171 -2.609 91.755 24.703 1.00 0.00 ATOM 1338 C LYS A 171 -1.710 90.945 24.490 1.00 0.00 ATOM 1339 N VAL A 172 -0.448 91.168 24.851 1.00 0.00 ATOM 1340 CA VAL A 172 -0.074 92.394 25.552 1.00 0.00 ATOM 1341 CB VAL A 172 1.288 92.308 26.296 1.00 0.00 ATOM 1342 CG1 VAL A 172 1.289 91.202 27.346 1.00 0.00 ATOM 1343 CG2 VAL A 172 2.431 92.088 25.310 1.00 0.00 ATOM 1344 O VAL A 172 0.005 93.446 23.365 1.00 0.00 ATOM 1345 C VAL A 172 -0.191 93.586 24.580 1.00 0.00 ATOM 1346 N SER A 173 -0.520 94.769 25.143 1.00 0.00 ATOM 1347 CA SER A 173 -0.695 95.969 24.318 1.00 0.00 ATOM 1348 CB SER A 173 -1.226 97.102 25.200 1.00 0.00 ATOM 1349 OG SER A 173 -2.524 96.807 25.684 1.00 0.00 ATOM 1350 O SER A 173 1.695 95.918 24.092 1.00 0.00 ATOM 1351 C SER A 173 0.623 96.348 23.662 1.00 0.00 ATOM 1352 N GLU A 174 0.557 97.189 22.621 1.00 0.00 ATOM 1353 CA GLU A 174 1.744 97.617 21.905 1.00 0.00 ATOM 1354 CB GLU A 174 1.301 98.536 20.715 1.00 0.00 ATOM 1355 CG GLU A 174 0.431 97.749 19.741 1.00 0.00 ATOM 1356 CD GLU A 174 0.007 98.554 18.528 1.00 0.00 ATOM 1357 OE1 GLU A 174 -0.536 99.672 18.737 1.00 0.00 ATOM 1358 OE2 GLU A 174 0.162 98.050 17.407 1.00 0.00 ATOM 1359 O GLU A 174 3.929 98.165 22.731 1.00 0.00 ATOM 1360 C GLU A 174 2.721 98.398 22.781 1.00 0.00 ATOM 1361 N GLU A 175 2.191 99.347 23.568 1.00 0.00 ATOM 1362 CA GLU A 175 3.024 100.160 24.450 1.00 0.00 ATOM 1363 CB GLU A 175 2.171 101.231 25.155 1.00 0.00 ATOM 1364 CG GLU A 175 1.665 102.306 24.197 1.00 0.00 ATOM 1365 CD GLU A 175 0.565 103.177 24.780 1.00 0.00 ATOM 1366 OE1 GLU A 175 -0.405 102.625 25.342 1.00 0.00 ATOM 1367 OE2 GLU A 175 0.655 104.416 24.649 1.00 0.00 ATOM 1368 O GLU A 175 4.943 99.466 25.741 1.00 0.00 ATOM 1369 C GLU A 175 3.757 99.280 25.467 1.00 0.00 ATOM 1370 N ILE A 176 3.051 98.275 25.970 1.00 0.00 ATOM 1371 CA ILE A 176 3.624 97.351 26.946 1.00 0.00 ATOM 1372 CB ILE A 176 2.541 96.471 27.612 1.00 0.00 ATOM 1373 CG1 ILE A 176 1.508 97.307 28.359 1.00 0.00 ATOM 1374 CG2 ILE A 176 3.180 95.423 28.547 1.00 0.00 ATOM 1375 CD1 ILE A 176 0.319 96.582 28.950 1.00 0.00 ATOM 1376 O ILE A 176 5.801 96.371 26.953 1.00 0.00 ATOM 1377 C ILE A 176 4.746 96.530 26.318 1.00 0.00 ATOM 1378 N GLU A 177 4.510 96.031 25.115 1.00 0.00 ATOM 1379 CA GLU A 177 5.568 95.266 24.413 1.00 0.00 ATOM 1380 CB GLU A 177 5.044 94.731 23.076 1.00 0.00 ATOM 1381 CG GLU A 177 3.995 93.640 23.215 1.00 0.00 ATOM 1382 CD GLU A 177 3.433 93.202 21.876 1.00 0.00 ATOM 1383 OE1 GLU A 177 3.821 93.789 20.845 1.00 0.00 ATOM 1384 OE2 GLU A 177 2.608 92.265 21.860 1.00 0.00 ATOM 1385 O GLU A 177 7.905 95.663 24.230 1.00 0.00 ATOM 1386 C GLU A 177 6.786 96.132 24.126 1.00 0.00 ATOM 1387 N ASP A 178 6.561 97.385 23.798 1.00 0.00 ATOM 1388 CA ASP A 178 7.668 98.318 23.652 1.00 0.00 ATOM 1389 CB ASP A 178 7.169 99.689 23.189 1.00 0.00 ATOM 1390 CG ASP A 178 6.628 99.664 21.774 1.00 0.00 ATOM 1391 OD1 ASP A 178 6.857 98.661 21.068 1.00 0.00 ATOM 1392 OD2 ASP A 178 5.974 100.649 21.371 1.00 0.00 ATOM 1393 O ASP A 178 9.682 98.443 24.934 1.00 0.00 ATOM 1394 C ASP A 178 8.452 98.427 24.952 1.00 0.00 ATOM 1395 N ILE A 179 7.741 98.477 26.075 1.00 0.00 ATOM 1396 CA ILE A 179 8.419 98.581 27.359 1.00 0.00 ATOM 1397 CB ILE A 179 7.387 98.747 28.487 1.00 0.00 ATOM 1398 CG1 ILE A 179 6.644 100.077 28.339 1.00 0.00 ATOM 1399 CG2 ILE A 179 8.071 98.727 29.845 1.00 0.00 ATOM 1400 CD1 ILE A 179 5.434 100.205 29.238 1.00 0.00 ATOM 1401 O ILE A 179 10.403 97.411 28.037 1.00 0.00 ATOM 1402 C ILE A 179 9.268 97.330 27.580 1.00 0.00 ATOM 1403 N ILE A 180 8.668 96.162 27.349 1.00 0.00 ATOM 1404 CA ILE A 180 9.344 94.897 27.597 1.00 0.00 ATOM 1405 CB ILE A 180 8.308 93.744 27.305 1.00 0.00 ATOM 1406 CG1 ILE A 180 7.252 93.671 28.410 1.00 0.00 ATOM 1407 CG2 ILE A 180 9.022 92.400 27.172 1.00 0.00 ATOM 1408 CD1 ILE A 180 7.798 93.286 29.796 1.00 0.00 ATOM 1409 O ILE A 180 11.661 94.372 27.204 1.00 0.00 ATOM 1410 C ILE A 180 10.600 94.799 26.739 1.00 0.00 ATOM 1411 N LYS A 181 10.473 95.191 25.473 1.00 0.00 ATOM 1412 CA LYS A 181 11.600 95.152 24.554 1.00 0.00 ATOM 1413 CB LYS A 181 11.186 95.737 23.224 1.00 0.00 ATOM 1414 CG LYS A 181 12.228 95.576 22.131 1.00 0.00 ATOM 1415 CD LYS A 181 11.759 96.303 20.874 1.00 0.00 ATOM 1416 CE LYS A 181 12.938 96.689 19.996 1.00 0.00 ATOM 1417 NZ LYS A 181 12.500 97.374 18.748 1.00 0.00 ATOM 1418 O LYS A 181 13.922 95.545 25.073 1.00 0.00 ATOM 1419 C LYS A 181 12.775 95.988 25.056 1.00 0.00 ATOM 1420 N LYS A 182 12.466 97.211 25.448 1.00 0.00 ATOM 1421 CA LYS A 182 13.490 98.186 25.845 1.00 0.00 ATOM 1422 CB LYS A 182 12.872 99.513 26.239 1.00 0.00 ATOM 1423 CG LYS A 182 12.345 100.286 25.040 1.00 0.00 ATOM 1424 CD LYS A 182 11.662 101.582 25.429 1.00 0.00 ATOM 1425 CE LYS A 182 11.243 102.334 24.182 1.00 0.00 ATOM 1426 NZ LYS A 182 10.380 103.493 24.483 1.00 0.00 ATOM 1427 O LYS A 182 15.487 97.684 27.116 1.00 0.00 ATOM 1428 C LYS A 182 14.264 97.716 27.097 1.00 0.00 ATOM 1429 N GLY A 183 13.562 97.301 28.107 1.00 0.00 ATOM 1430 CA GLY A 183 14.191 96.841 29.336 1.00 0.00 ATOM 1431 O GLY A 183 16.037 95.363 29.618 1.00 0.00 ATOM 1432 C GLY A 183 14.930 95.537 29.127 1.00 0.00 ATOM 1433 N GLU A 184 14.351 94.635 28.340 1.00 0.00 ATOM 1434 CA GLU A 184 14.999 93.365 28.043 1.00 0.00 ATOM 1435 CB GLU A 184 14.220 92.435 27.211 1.00 0.00 ATOM 1436 CG GLU A 184 13.068 91.798 28.002 1.00 0.00 ATOM 1437 CD GLU A 184 13.523 91.189 29.341 1.00 0.00 ATOM 1438 OE1 GLU A 184 14.432 90.302 29.335 1.00 0.00 ATOM 1439 OE2 GLU A 184 12.983 91.612 30.399 1.00 0.00 ATOM 1440 O GLU A 184 17.256 92.908 27.388 1.00 0.00 ATOM 1441 C GLU A 184 16.247 93.581 27.202 1.00 0.00 ATOM 1442 N THR A 185 16.153 94.523 26.298 1.00 0.00 ATOM 1443 CA THR A 185 17.289 94.813 25.432 1.00 0.00 ATOM 1444 CB THR A 185 16.907 95.827 24.392 1.00 0.00 ATOM 1445 CG2 THR A 185 18.095 96.133 23.469 1.00 0.00 ATOM 1446 OG1 THR A 185 15.842 95.265 23.620 1.00 0.00 ATOM 1447 O THR A 185 19.622 94.878 26.127 1.00 0.00 ATOM 1448 C THR A 185 18.471 95.330 26.273 1.00 0.00 ATOM 1449 N GLN A 186 18.159 96.276 27.156 1.00 0.00 ATOM 1450 CA GLN A 186 19.182 96.861 28.021 1.00 0.00 ATOM 1451 CB GLN A 186 18.590 98.058 28.792 1.00 0.00 ATOM 1452 CG GLN A 186 18.374 99.235 27.806 1.00 0.00 ATOM 1453 CD GLN A 186 17.872 100.454 28.550 1.00 0.00 ATOM 1454 OE1 GLN A 186 18.661 101.158 29.171 1.00 0.00 ATOM 1455 NE2 GLN A 186 16.573 100.678 28.554 1.00 0.00 ATOM 1456 O GLN A 186 20.943 95.766 29.233 1.00 0.00 ATOM 1457 C GLN A 186 19.742 95.805 28.972 1.00 0.00 ATOM 1458 N THR A 187 18.873 94.966 29.504 1.00 0.00 ATOM 1459 CA THR A 187 19.287 93.929 30.447 1.00 0.00 ATOM 1460 CB THR A 187 18.054 93.285 31.100 1.00 0.00 ATOM 1461 CG2 THR A 187 18.434 92.175 32.051 1.00 0.00 ATOM 1462 OG1 THR A 187 17.366 94.291 31.861 1.00 0.00 ATOM 1463 O THR A 187 21.213 92.525 30.235 1.00 0.00 ATOM 1464 C THR A 187 20.191 92.949 29.711 1.00 0.00 ATOM 1465 N LEU A 188 19.808 92.605 28.492 1.00 0.00 ATOM 1466 CA LEU A 188 20.597 91.668 27.694 1.00 0.00 ATOM 1467 CB LEU A 188 19.995 91.344 26.385 1.00 0.00 ATOM 1468 CG LEU A 188 18.699 90.538 26.502 1.00 0.00 ATOM 1469 CD1 LEU A 188 18.204 90.188 25.119 1.00 0.00 ATOM 1470 CD2 LEU A 188 18.858 89.272 27.349 1.00 0.00 ATOM 1471 O LEU A 188 22.926 91.514 27.117 1.00 0.00 ATOM 1472 C LEU A 188 21.965 92.268 27.397 1.00 0.00 ENDMDL EXPDTA 2i5tA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i5tA ATOM 1 N GLU 14 3.648 81.469 -14.433 1.00 0.00 ATOM 2 CA GLU 14 2.733 81.882 -15.557 1.00 0.00 ATOM 3 CB GLU 14 3.189 81.276 -16.887 1.00 0.00 ATOM 4 CG GLU 14 4.571 81.800 -17.366 1.00 0.00 ATOM 5 CD GLU 14 5.075 81.110 -18.641 1.00 0.00 ATOM 6 OE1 GLU 14 6.230 81.411 -19.063 1.00 0.00 ATOM 7 OE2 GLU 14 4.323 80.266 -19.228 1.00 0.00 ATOM 8 O GLU 14 0.378 82.435 -15.510 1.00 0.00 ATOM 9 C GLU 14 1.240 81.582 -15.277 1.00 0.00 ATOM 10 N GLU 15 0.943 80.387 -14.759 1.00 0.00 ATOM 11 CA GLU 15 -0.346 80.141 -14.121 1.00 0.00 ATOM 12 CB GLU 15 -0.740 78.670 -14.253 1.00 0.00 ATOM 13 CG GLU 15 -1.388 78.341 -15.600 1.00 0.00 ATOM 14 CD GLU 15 -2.062 76.979 -15.598 1.00 0.00 ATOM 15 OE1 GLU 15 -2.942 76.755 -14.726 1.00 0.00 ATOM 16 OE2 GLU 15 -1.712 76.141 -16.469 1.00 0.00 ATOM 17 O GLU 15 -1.366 80.517 -11.967 1.00 0.00 ATOM 18 C GLU 15 -0.326 80.518 -12.629 1.00 0.00 ATOM 19 N SER 16 0.859 80.850 -12.134 1.00 0.00 ATOM 20 CA SER 16 1.118 80.975 -10.699 1.00 0.00 ATOM 21 CB SER 16 2.206 79.984 -10.276 1.00 0.00 ATOM 22 OG SER 16 1.592 78.747 -9.929 1.00 0.00 ATOM 23 O SER 16 1.953 83.086 -11.284 1.00 0.00 ATOM 24 C SER 16 1.572 82.366 -10.386 1.00 0.00 ATOM 25 N PHE 17 1.553 82.749 -9.111 1.00 0.00 ATOM 26 CA PHE 17 2.183 84.016 -8.716 1.00 0.00 ATOM 27 CB PHE 17 1.158 85.161 -8.693 1.00 0.00 ATOM 28 CG PHE 17 0.221 85.103 -7.527 1.00 0.00 ATOM 29 CD1 PHE 17 -0.903 84.309 -7.571 1.00 0.00 ATOM 30 CD2 PHE 17 0.469 85.839 -6.367 1.00 0.00 ATOM 31 CE1 PHE 17 -1.749 84.250 -6.493 1.00 0.00 ATOM 32 CE2 PHE 17 -0.383 85.750 -5.276 1.00 0.00 ATOM 33 CZ PHE 17 -1.484 84.970 -5.339 1.00 0.00 ATOM 34 O PHE 17 2.713 82.916 -6.652 1.00 0.00 ATOM 35 C PHE 17 2.902 83.904 -7.367 1.00 0.00 ATOM 36 N LEU 18 3.727 84.923 -7.057 1.00 0.00 ATOM 37 CA LEU 18 4.483 84.993 -5.829 1.00 0.00 ATOM 38 CB LEU 18 5.998 85.142 -6.078 1.00 0.00 ATOM 39 CG LEU 18 6.598 84.122 -7.088 1.00 0.00 ATOM 40 CD1 LEU 18 8.016 84.480 -7.428 1.00 0.00 ATOM 41 CD2 LEU 18 6.479 82.678 -6.563 1.00 0.00 ATOM 42 O LEU 18 3.771 87.222 -5.345 1.00 0.00 ATOM 43 C LEU 18 3.974 86.092 -4.913 1.00 0.00 ATOM 44 N TYR 19 3.788 85.693 -3.661 1.00 0.00 ATOM 45 CA TYR 19 3.246 86.478 -2.586 1.00 0.00 ATOM 46 CB TYR 19 1.972 85.814 -2.080 1.00 0.00 ATOM 47 CG TYR 19 1.548 86.281 -0.696 1.00 0.00 ATOM 48 CD1 TYR 19 1.389 87.649 -0.407 1.00 0.00 ATOM 49 CD2 TYR 19 1.261 85.329 0.319 1.00 0.00 ATOM 50 CE1 TYR 19 1.004 88.083 0.888 1.00 0.00 ATOM 51 CE2 TYR 19 0.866 85.737 1.570 1.00 0.00 ATOM 52 CZ TYR 19 0.724 87.095 1.855 1.00 0.00 ATOM 53 OH TYR 19 0.347 87.472 3.117 1.00 0.00 ATOM 54 O TYR 19 4.716 85.586 -0.942 1.00 0.00 ATOM 55 C TYR 19 4.269 86.600 -1.472 1.00 0.00 ATOM 56 N PHE 20 4.604 87.834 -1.082 1.00 0.00 ATOM 57 CA PHE 20 5.593 88.095 -0.015 1.00 0.00 ATOM 58 CB PHE 20 6.543 89.249 -0.442 1.00 0.00 ATOM 59 CG PHE 20 7.543 89.667 0.632 1.00 0.00 ATOM 60 CD1 PHE 20 8.623 88.850 0.933 1.00 0.00 ATOM 61 CD2 PHE 20 7.398 90.873 1.341 1.00 0.00 ATOM 62 CE1 PHE 20 9.537 89.192 1.923 1.00 0.00 ATOM 63 CE2 PHE 20 8.362 91.262 2.327 1.00 0.00 ATOM 64 CZ PHE 20 9.421 90.414 2.606 1.00 0.00 ATOM 65 O PHE 20 4.230 89.558 1.406 1.00 0.00 ATOM 66 C PHE 20 4.875 88.487 1.291 1.00 0.00 ATOM 67 N ALA 21 5.006 87.626 2.278 1.00 0.00 ATOM 68 CA ALA 21 4.289 87.699 3.552 1.00 0.00 ATOM 69 CB ALA 21 3.693 86.307 3.909 1.00 0.00 ATOM 70 O ALA 21 6.379 87.553 4.677 1.00 0.00 ATOM 71 C ALA 21 5.294 88.113 4.614 1.00 0.00 ATOM 72 N TYR 22 4.939 89.085 5.443 1.00 0.00 ATOM 73 CA TYR 22 5.860 89.563 6.463 1.00 0.00 ATOM 74 CB TYR 22 6.385 90.958 6.086 1.00 0.00 ATOM 75 CG TYR 22 5.288 91.959 5.784 1.00 0.00 ATOM 76 CD1 TYR 22 4.597 92.574 6.828 1.00 0.00 ATOM 77 CD2 TYR 22 4.925 92.267 4.466 1.00 0.00 ATOM 78 CE1 TYR 22 3.577 93.511 6.585 1.00 0.00 ATOM 79 CE2 TYR 22 3.919 93.207 4.213 1.00 0.00 ATOM 80 CZ TYR 22 3.259 93.821 5.283 1.00 0.00 ATOM 81 OH TYR 22 2.252 94.739 5.078 1.00 0.00 ATOM 82 O TYR 22 5.818 89.959 8.796 1.00 0.00 ATOM 83 C TYR 22 5.188 89.588 7.821 1.00 0.00 ATOM 84 N GLY 23 3.893 89.227 7.862 1.00 0.00 ATOM 85 CA GLY 23 3.097 89.166 9.127 1.00 0.00 ATOM 86 O GLY 23 3.551 86.865 9.620 1.00 0.00 ATOM 87 C GLY 23 2.712 87.751 9.576 1.00 0.00 ATOM 88 N SER 24 1.437 87.521 9.905 1.00 0.00 ATOM 89 CA SER 24 1.004 86.237 10.422 1.00 0.00 ATOM 90 CB SER 24 -0.417 86.317 11.039 1.00 0.00 ATOM 91 OG SER 24 -1.359 86.739 10.044 1.00 0.00 ATOM 92 O SER 24 1.210 83.983 9.643 1.00 0.00 ATOM 93 C SER 24 1.114 85.155 9.324 1.00 0.00 ATOM 94 N ASN 25 1.139 85.536 8.035 1.00 0.00 ATOM 95 CA ASN 25 1.358 84.516 6.972 1.00 0.00 ATOM 96 CB ASN 25 0.736 84.908 5.598 1.00 0.00 ATOM 97 CG ASN 25 -0.802 84.871 5.601 1.00 0.00 ATOM 98 ND2 ASN 25 -1.400 85.669 4.737 1.00 0.00 ATOM 99 OD1 ASN 25 -1.436 84.158 6.378 1.00 0.00 ATOM 100 O ASN 25 3.161 83.347 5.823 1.00 0.00 ATOM 101 C ASN 25 2.815 84.020 6.808 1.00 0.00 ATOM 102 N LEU 26 3.683 84.424 7.725 1.00 0.00 ATOM 103 CA LEU 26 4.977 83.772 7.883 1.00 0.00 ATOM 104 CB LEU 26 5.815 84.470 8.956 1.00 0.00 ATOM 105 CG LEU 26 6.423 85.837 8.604 1.00 0.00 ATOM 106 CD1 LEU 26 7.120 86.521 9.807 1.00 0.00 ATOM 107 CD2 LEU 26 7.360 85.718 7.408 1.00 0.00 ATOM 108 O LEU 26 5.704 81.505 7.996 1.00 0.00 ATOM 109 C LEU 26 4.823 82.311 8.292 1.00 0.00 ATOM 110 N LEU 27 3.737 82.009 8.999 1.00 0.00 ATOM 111 CA LEU 27 3.544 80.714 9.663 1.00 0.00 ATOM 112 CB LEU 27 2.759 80.855 10.989 1.00 0.00 ATOM 113 CG LEU 27 2.535 79.531 11.777 1.00 0.00 ATOM 114 CD1 LEU 27 3.875 78.866 12.230 1.00 0.00 ATOM 115 CD2 LEU 27 1.672 79.764 12.969 1.00 0.00 ATOM 116 O LEU 27 1.681 80.267 8.248 1.00 0.00 ATOM 117 C LEU 27 2.756 79.856 8.690 1.00 0.00 ATOM 118 N THR 28 3.275 78.686 8.372 1.00 0.00 ATOM 119 CA THR 28 2.666 77.806 7.357 1.00 0.00 ATOM 120 CB THR 28 3.521 76.578 7.135 1.00 0.00 ATOM 121 CG2 THR 28 2.994 75.724 5.988 1.00 0.00 ATOM 122 OG1 THR 28 4.838 77.023 6.830 1.00 0.00 ATOM 123 O THR 28 0.409 77.261 6.847 1.00 0.00 ATOM 124 C THR 28 1.276 77.347 7.708 1.00 0.00 ATOM 125 N GLU 29 1.090 77.026 8.982 1.00 0.00 ATOM 126 CA GLU 29 -0.176 76.518 9.478 1.00 0.00 ATOM 127 CB GLU 29 -0.014 76.053 10.925 1.00 0.00 ATOM 128 CG GLU 29 0.778 74.736 11.059 1.00 0.00 ATOM 129 CD GLU 29 2.277 74.860 10.725 1.00 0.00 ATOM 130 OE1 GLU 29 2.901 75.916 10.991 1.00 0.00 ATOM 131 OE2 GLU 29 2.834 73.874 10.195 1.00 0.00 ATOM 132 O GLU 29 -2.410 77.382 9.115 1.00 0.00 ATOM 133 C GLU 29 -1.211 77.632 9.390 1.00 0.00 ATOM 134 N ARG 30 -0.750 78.858 9.613 1.00 0.00 ATOM 135 CA ARG 30 -1.633 80.014 9.503 1.00 0.00 ATOM 136 CB ARG 30 -1.017 81.239 10.206 1.00 0.00 ATOM 137 CG ARG 30 -1.714 82.563 9.868 1.00 0.00 ATOM 138 CD ARG 30 -3.112 82.616 10.408 1.00 0.00 ATOM 139 NE ARG 30 -3.830 83.768 9.863 1.00 0.00 ATOM 140 CZ ARG 30 -5.070 84.135 10.218 1.00 0.00 ATOM 141 NH1 ARG 30 -5.781 83.454 11.135 1.00 0.00 ATOM 142 NH2 ARG 30 -5.609 85.208 9.643 1.00 0.00 ATOM 143 O ARG 30 -3.273 80.426 7.800 1.00 0.00 ATOM 144 C ARG 30 -2.077 80.323 8.064 1.00 0.00 ATOM 145 N ILE 31 -1.135 80.502 7.138 1.00 0.00 ATOM 146 CA ILE 31 -1.522 80.710 5.736 1.00 0.00 ATOM 147 CB ILE 31 -0.297 81.056 4.806 1.00 0.00 ATOM 148 CG1 ILE 31 -0.757 81.673 3.458 1.00 0.00 ATOM 149 CG2 ILE 31 0.594 79.890 4.613 1.00 0.00 ATOM 150 CD1 ILE 31 0.418 82.093 2.554 1.00 0.00 ATOM 151 O ILE 31 -3.230 79.780 4.316 1.00 0.00 ATOM 152 C ILE 31 -2.356 79.557 5.157 1.00 0.00 ATOM 153 N HIS 32 -2.106 78.332 5.620 1.00 0.00 ATOM 154 CA HIS 32 -2.875 77.185 5.160 1.00 0.00 ATOM 155 CB HIS 32 -2.156 75.844 5.431 1.00 0.00 ATOM 156 CG HIS 32 -1.011 75.599 4.487 1.00 0.00 ATOM 157 CD2 HIS 32 -0.648 76.252 3.352 1.00 0.00 ATOM 158 ND1 HIS 32 -0.104 74.570 4.649 1.00 0.00 ATOM 159 CE1 HIS 32 0.767 74.602 3.650 1.00 0.00 ATOM 160 NE2 HIS 32 0.475 75.626 2.862 1.00 0.00 ATOM 161 O HIS 32 -5.112 76.444 4.980 1.00 0.00 ATOM 162 C HIS 32 -4.329 77.161 5.591 1.00 0.00 ATOM 163 N LEU 33 -4.706 77.953 6.600 1.00 0.00 ATOM 164 CA LEU 33 -6.120 78.011 7.020 1.00 0.00 ATOM 165 CB LEU 33 -6.336 79.007 8.195 1.00 0.00 ATOM 166 CG LEU 33 -5.735 78.538 9.540 1.00 0.00 ATOM 167 CD1 LEU 33 -5.874 79.585 10.659 1.00 0.00 ATOM 168 CD2 LEU 33 -6.332 77.176 9.998 1.00 0.00 ATOM 169 O LEU 33 -7.972 77.713 5.528 1.00 0.00 ATOM 170 C LEU 33 -7.011 78.405 5.843 1.00 0.00 ATOM 171 N ARG 34 -6.702 79.524 5.195 1.00 0.00 ATOM 172 CA ARG 34 -7.501 79.972 4.060 1.00 0.00 ATOM 173 CB ARG 34 -7.720 81.489 4.103 1.00 0.00 ATOM 174 CG ARG 34 -8.610 82.023 5.240 1.00 0.00 ATOM 175 CD ARG 34 -10.103 81.791 5.009 1.00 0.00 ATOM 176 NE ARG 34 -10.481 82.080 3.618 1.00 0.00 ATOM 177 CZ ARG 34 -10.928 83.249 3.161 1.00 0.00 ATOM 178 NH1 ARG 34 -11.093 84.301 3.978 1.00 0.00 ATOM 179 NH2 ARG 34 -11.229 83.355 1.866 1.00 0.00 ATOM 180 O ARG 34 -7.558 79.584 1.702 1.00 0.00 ATOM 181 C ARG 34 -6.869 79.585 2.720 1.00 0.00 ATOM 182 N ASN 35 -5.551 79.350 2.691 1.00 0.00 ATOM 183 CA ASN 35 -4.848 79.111 1.402 1.00 0.00 ATOM 184 CB ASN 35 -3.887 80.245 1.111 1.00 0.00 ATOM 185 CG ASN 35 -4.530 81.566 1.287 1.00 0.00 ATOM 186 ND2 ASN 35 -4.269 82.245 2.426 1.00 0.00 ATOM 187 OD1 ASN 35 -5.294 81.972 0.444 1.00 0.00 ATOM 188 O ASN 35 -2.843 77.833 1.519 1.00 0.00 ATOM 189 C ASN 35 -4.066 77.816 1.500 1.00 0.00 ATOM 190 N PRO 36 -4.785 76.689 1.606 1.00 0.00 ATOM 191 CA PRO 36 -4.124 75.429 1.871 1.00 0.00 ATOM 192 CB PRO 36 -5.299 74.462 2.054 1.00 0.00 ATOM 193 CG PRO 36 -6.383 75.037 1.373 1.00 0.00 ATOM 194 CD PRO 36 -6.242 76.516 1.530 1.00 0.00 ATOM 195 O PRO 36 -2.325 74.164 1.027 1.00 0.00 ATOM 196 C PRO 36 -3.187 74.992 0.775 1.00 0.00 ATOM 197 N SER 37 -3.311 75.575 -0.440 1.00 0.00 ATOM 198 CA SER 37 -2.439 75.193 -1.562 1.00 0.00 ATOM 199 CB SER 37 -3.249 75.123 -2.880 1.00 0.00 ATOM 200 OG SER 37 -3.625 76.422 -3.302 1.00 0.00 ATOM 201 O SER 37 -0.435 75.916 -2.720 1.00 0.00 ATOM 202 C SER 37 -1.186 76.078 -1.749 1.00 0.00 ATOM 203 N ALA 38 -0.954 77.025 -0.837 1.00 0.00 ATOM 204 CA ALA 38 0.232 77.888 -0.911 1.00 0.00 ATOM 205 CB ALA 38 0.152 78.957 0.153 1.00 0.00 ATOM 206 O ALA 38 1.425 76.218 0.287 1.00 0.00 ATOM 207 C ALA 38 1.459 77.013 -0.650 1.00 0.00 ATOM 208 N ALA 39 2.521 77.199 -1.438 1.00 0.00 ATOM 209 CA ALA 39 3.758 76.455 -1.325 1.00 0.00 ATOM 210 CB ALA 39 4.065 75.684 -2.619 1.00 0.00 ATOM 211 O ALA 39 5.108 78.452 -1.639 1.00 0.00 ATOM 212 C ALA 39 4.903 77.395 -0.984 1.00 0.00 ATOM 213 N PHE 40 5.617 77.047 0.087 1.00 0.00 ATOM 214 CA PHE 40 6.840 77.760 0.458 1.00 0.00 ATOM 215 CB PHE 40 7.611 77.025 1.576 1.00 0.00 ATOM 216 CG PHE 40 8.936 77.701 1.927 1.00 0.00 ATOM 217 CD1 PHE 40 8.964 78.797 2.765 1.00 0.00 ATOM 218 CD2 PHE 40 10.134 77.255 1.385 1.00 0.00 ATOM 219 CE1 PHE 40 10.156 79.457 3.071 1.00 0.00 ATOM 220 CE2 PHE 40 11.334 77.871 1.706 1.00 0.00 ATOM 221 CZ PHE 40 11.344 78.991 2.533 1.00 0.00 ATOM 222 O PHE 40 7.902 76.878 -1.504 1.00 0.00 ATOM 223 C PHE 40 7.708 77.870 -0.781 1.00 0.00 ATOM 224 N PHE 41 8.211 79.066 -1.050 1.00 0.00 ATOM 225 CA PHE 41 9.035 79.283 -2.218 1.00 0.00 ATOM 226 CB PHE 41 8.448 80.357 -3.134 1.00 0.00 ATOM 227 CG PHE 41 9.138 80.471 -4.456 1.00 0.00 ATOM 228 CD1 PHE 41 8.911 79.532 -5.450 1.00 0.00 ATOM 229 CD2 PHE 41 9.987 81.528 -4.721 1.00 0.00 ATOM 230 CE1 PHE 41 9.530 79.632 -6.728 1.00 0.00 ATOM 231 CE2 PHE 41 10.616 81.648 -5.960 1.00 0.00 ATOM 232 CZ PHE 41 10.379 80.690 -6.981 1.00 0.00 ATOM 233 O PHE 41 11.390 79.051 -2.074 1.00 0.00 ATOM 234 C PHE 41 10.403 79.708 -1.748 1.00 0.00 ATOM 235 N CYS 42 10.472 80.774 -0.940 1.00 0.00 ATOM 236 CA CYS 42 11.768 81.137 -0.387 1.00 0.00 ATOM 237 CB CYS 42 12.718 81.622 -1.495 1.00 0.00 ATOM 238 SG CYS 42 12.292 83.208 -2.150 1.00 0.00 ATOM 239 O CYS 42 10.648 82.768 0.969 1.00 0.00 ATOM 240 C CYS 42 11.690 82.130 0.733 1.00 0.00 ATOM 241 N VAL 43 12.797 82.262 1.457 1.00 0.00 ATOM 242 CA VAL 43 12.929 83.374 2.390 1.00 0.00 ATOM 243 CB VAL 43 13.770 82.929 3.580 1.00 0.00 ATOM 244 CG1 VAL 43 14.320 84.077 4.314 1.00 0.00 ATOM 245 CG2 VAL 43 12.956 81.949 4.463 1.00 0.00 ATOM 246 O VAL 43 14.598 84.356 0.969 1.00 0.00 ATOM 247 C VAL 43 13.608 84.555 1.664 1.00 0.00 ATOM 248 N ALA 44 13.125 85.775 1.893 1.00 0.00 ATOM 249 CA ALA 44 13.665 86.958 1.192 1.00 0.00 ATOM 250 CB ALA 44 12.909 87.187 -0.099 1.00 0.00 ATOM 251 O ALA 44 12.910 88.322 2.989 1.00 0.00 ATOM 252 C ALA 44 13.648 88.224 2.010 1.00 0.00 ATOM 253 N ARG 45 14.436 89.194 1.565 1.00 0.00 ATOM 254 CA ARG 45 14.626 90.468 2.256 1.00 0.00 ATOM 255 CB ARG 45 16.126 90.681 2.576 1.00 0.00 ATOM 256 CG ARG 45 16.367 91.969 3.340 1.00 0.00 ATOM 257 CD ARG 45 17.840 92.166 3.726 1.00 0.00 ATOM 258 NE ARG 45 18.700 92.449 2.600 1.00 0.00 ATOM 259 CZ ARG 45 20.039 92.369 2.644 1.00 0.00 ATOM 260 NH1 ARG 45 20.666 91.968 3.766 1.00 0.00 ATOM 261 NH2 ARG 45 20.767 92.687 1.555 1.00 0.00 ATOM 262 O ARG 45 14.468 91.715 0.226 1.00 0.00 ATOM 263 C ARG 45 14.125 91.625 1.402 1.00 0.00 ATOM 264 N LEU 46 13.273 92.463 1.971 1.00 0.00 ATOM 265 CA LEU 46 12.815 93.677 1.319 1.00 0.00 ATOM 266 CB LEU 46 11.325 93.948 1.609 1.00 0.00 ATOM 267 CG LEU 46 10.665 95.173 1.000 1.00 0.00 ATOM 268 CD1 LEU 46 10.825 95.190 -0.536 1.00 0.00 ATOM 269 CD2 LEU 46 9.139 95.124 1.345 1.00 0.00 ATOM 270 O LEU 46 13.541 95.123 3.088 1.00 0.00 ATOM 271 C LEU 46 13.629 94.810 1.891 1.00 0.00 ATOM 272 N GLN 47 14.400 95.445 1.022 1.00 0.00 ATOM 273 CA GLN 47 15.284 96.517 1.426 1.00 0.00 ATOM 274 CB GLN 47 16.395 96.684 0.394 1.00 0.00 ATOM 275 CG GLN 47 17.427 97.687 0.851 1.00 0.00 ATOM 276 CD GLN 47 18.761 97.534 0.182 1.00 0.00 ATOM 277 OE1 GLN 47 19.367 96.457 0.225 1.00 0.00 ATOM 278 NE2 GLN 47 19.256 98.624 -0.418 1.00 0.00 ATOM 279 O GLN 47 13.594 98.136 0.857 1.00 0.00 ATOM 280 C GLN 47 14.532 97.840 1.597 1.00 0.00 ATOM 281 N ASP 48 14.959 98.628 2.576 1.00 0.00 ATOM 282 CA ASP 48 14.504 100.031 2.692 1.00 0.00 ATOM 283 CB ASP 48 14.876 100.891 1.463 1.00 0.00 ATOM 284 CG ASP 48 16.375 101.274 1.441 1.00 0.00 ATOM 285 OD1 ASP 48 17.056 101.195 2.489 1.00 0.00 ATOM 286 OD2 ASP 48 16.887 101.653 0.371 1.00 0.00 ATOM 287 O ASP 48 12.351 100.992 2.572 1.00 0.00 ATOM 288 C ASP 48 13.020 100.073 2.991 1.00 0.00 ATOM 289 N PHE 49 12.531 99.061 3.723 1.00 0.00 ATOM 290 CA PHE 49 11.195 99.078 4.314 1.00 0.00 ATOM 291 CB PHE 49 10.287 98.010 3.683 1.00 0.00 ATOM 292 CG PHE 49 9.661 98.439 2.381 1.00 0.00 ATOM 293 CD1 PHE 49 10.401 98.418 1.191 1.00 0.00 ATOM 294 CD2 PHE 49 8.353 98.856 2.340 1.00 0.00 ATOM 295 CE1 PHE 49 9.818 98.772 -0.036 1.00 0.00 ATOM 296 CE2 PHE 49 7.756 99.235 1.127 1.00 0.00 ATOM 297 CZ PHE 49 8.499 99.169 -0.068 1.00 0.00 ATOM 298 O PHE 49 12.220 98.111 6.219 1.00 0.00 ATOM 299 C PHE 49 11.301 98.799 5.796 1.00 0.00 ATOM 300 N LYS 50 10.377 99.382 6.572 1.00 0.00 ATOM 301 CA LYS 50 10.321 99.179 8.014 1.00 0.00 ATOM 302 CB LYS 50 10.485 100.511 8.763 1.00 0.00 ATOM 303 CG LYS 50 10.613 100.359 10.301 1.00 0.00 ATOM 304 CD LYS 50 10.907 101.733 10.922 1.00 0.00 ATOM 305 CE LYS 50 11.103 101.659 12.456 1.00 0.00 ATOM 306 NZ LYS 50 12.145 100.667 12.878 1.00 0.00 ATOM 307 O LYS 50 7.950 98.969 7.907 1.00 0.00 ATOM 308 C LYS 50 8.998 98.524 8.379 1.00 0.00 ATOM 309 N LEU 51 9.058 97.492 9.239 1.00 0.00 ATOM 310 CA LEU 51 7.867 96.859 9.814 1.00 0.00 ATOM 311 CB LEU 51 8.247 95.512 10.429 1.00 0.00 ATOM 312 CG LEU 51 7.088 94.660 10.946 1.00 0.00 ATOM 313 CD1 LEU 51 6.226 94.159 9.786 1.00 0.00 ATOM 314 CD2 LEU 51 7.664 93.457 11.747 1.00 0.00 ATOM 315 O LEU 51 7.875 98.299 11.756 1.00 0.00 ATOM 316 C LEU 51 7.200 97.750 10.899 1.00 0.00 ATOM 317 N ASP 52 5.872 97.838 10.883 1.00 0.00 ATOM 318 CA ASP 52 5.148 98.588 11.884 1.00 0.00 ATOM 319 CB ASP 52 4.797 99.997 11.337 1.00 0.00 ATOM 320 CG ASP 52 4.282 100.957 12.439 1.00 0.00 ATOM 321 OD1 ASP 52 4.395 100.614 13.648 1.00 0.00 ATOM 322 OD2 ASP 52 3.774 102.049 12.084 1.00 0.00 ATOM 323 O ASP 52 3.652 96.730 11.564 1.00 0.00 ATOM 324 C ASP 52 3.900 97.774 12.182 1.00 0.00 ATOM 325 N PHE 53 3.140 98.220 13.172 1.00 0.00 ATOM 326 CA PHE 53 1.867 97.599 13.533 1.00 0.00 ATOM 327 CB PHE 53 2.036 96.742 14.799 1.00 0.00 ATOM 328 CG PHE 53 2.939 95.576 14.585 1.00 0.00 ATOM 329 CD1 PHE 53 4.325 95.718 14.696 1.00 0.00 ATOM 330 CD2 PHE 53 2.413 94.356 14.197 1.00 0.00 ATOM 331 CE1 PHE 53 5.147 94.639 14.458 1.00 0.00 ATOM 332 CE2 PHE 53 3.244 93.277 13.939 1.00 0.00 ATOM 333 CZ PHE 53 4.618 93.427 14.080 1.00 0.00 ATOM 334 O PHE 53 1.110 99.709 14.371 1.00 0.00 ATOM 335 C PHE 53 0.825 98.665 13.777 1.00 0.00 ATOM 336 N GLY 54 -0.402 98.408 13.354 1.00 0.00 ATOM 337 CA GLY 54 -1.343 99.502 13.420 1.00 0.00 ATOM 338 O GLY 54 -3.121 97.995 12.898 1.00 0.00 ATOM 339 C GLY 54 -2.776 99.132 13.230 1.00 0.00 ATOM 340 N ASN 55 -3.600 100.136 13.436 1.00 0.00 ATOM 341 CA ASN 55 -5.021 100.013 13.354 1.00 0.00 ATOM 342 CB ASN 55 -5.606 100.718 14.597 1.00 0.00 ATOM 343 CG ASN 55 -5.342 99.959 15.909 1.00 0.00 ATOM 344 ND2 ASN 55 -5.361 100.691 17.002 1.00 0.00 ATOM 345 OD1 ASN 55 -5.154 98.743 15.937 1.00 0.00 ATOM 346 O ASN 55 -5.529 101.948 12.004 1.00 0.00 ATOM 347 C ASN 55 -5.510 100.719 12.075 1.00 0.00 ATOM 348 N SER 56 -5.879 99.946 11.066 1.00 0.00 ATOM 349 CA SER 56 -6.357 100.523 9.810 1.00 0.00 ATOM 350 CB SER 56 -6.718 99.432 8.806 1.00 0.00 ATOM 351 OG SER 56 -7.877 99.851 8.078 1.00 0.00 ATOM 352 O SER 56 -8.563 100.943 10.599 1.00 0.00 ATOM 353 C SER 56 -7.601 101.385 9.992 1.00 0.00 ATOM 354 N GLN 57 -7.570 102.595 9.431 1.00 0.00 ATOM 355 CA GLN 57 -8.636 103.606 9.601 1.00 0.00 ATOM 356 CB GLN 57 -9.897 103.304 8.757 1.00 0.00 ATOM 357 CG GLN 57 -9.677 102.703 7.348 1.00 0.00 ATOM 358 CD GLN 57 -9.261 103.726 6.273 1.00 0.00 ATOM 359 OE1 GLN 57 -9.213 104.939 6.514 1.00 0.00 ATOM 360 NE2 GLN 57 -8.955 103.222 5.075 1.00 0.00 ATOM 361 O GLN 57 -10.201 103.996 11.387 1.00 0.00 ATOM 362 C GLN 57 -9.028 103.781 11.076 1.00 0.00 ATOM 363 N GLY 58 -8.043 103.670 11.974 1.00 0.00 ATOM 364 CA GLY 58 -8.276 103.796 13.404 1.00 0.00 ATOM 365 O GLY 58 -9.229 102.740 15.313 1.00 0.00 ATOM 366 C GLY 58 -9.016 102.667 14.105 1.00 0.00 ATOM 367 N LYS 59 -9.425 101.643 13.374 1.00 0.00 ATOM 368 CA LYS 59 -10.228 100.542 13.949 1.00 0.00 ATOM 369 CB LYS 59 -11.155 99.941 12.885 1.00 0.00 ATOM 370 CG LYS 59 -12.116 100.896 12.180 1.00 0.00 ATOM 371 CD LYS 59 -12.735 100.150 10.957 1.00 0.00 ATOM 372 CE LYS 59 -13.995 100.832 10.448 1.00 0.00 ATOM 373 NZ LYS 59 -14.328 100.414 9.060 1.00 0.00 ATOM 374 O LYS 59 -8.437 98.978 13.757 1.00 0.00 ATOM 375 C LYS 59 -9.334 99.411 14.466 1.00 0.00 ATOM 376 N THR 60 -9.572 98.936 15.694 1.00 0.00 ATOM 377 CA THR 60 -8.840 97.775 16.229 1.00 0.00 ATOM 378 CB THR 60 -8.825 97.739 17.798 1.00 0.00 ATOM 379 CG2 THR 60 -8.031 96.534 18.329 1.00 0.00 ATOM 380 OG1 THR 60 -8.206 98.932 18.296 1.00 0.00 ATOM 381 O THR 60 -10.547 96.166 15.734 1.00 0.00 ATOM 382 C THR 60 -9.361 96.451 15.654 1.00 0.00 ATOM 383 N SER 61 -8.464 95.659 15.064 1.00 0.00 ATOM 384 CA SER 61 -8.795 94.316 14.565 1.00 0.00 ATOM 385 CB SER 61 -7.536 93.558 14.148 1.00 0.00 ATOM 386 OG SER 61 -7.788 92.162 14.046 1.00 0.00 ATOM 387 O SER 61 -9.015 93.314 16.747 1.00 0.00 ATOM 388 C SER 61 -9.521 93.482 15.620 1.00 0.00 ATOM 389 N GLN 62 -10.694 92.966 15.251 1.00 0.00 ATOM 390 CA GLN 62 -11.482 92.123 16.169 1.00 0.00 ATOM 391 CB GLN 62 -12.997 92.334 15.965 1.00 0.00 ATOM 392 CG GLN 62 -13.492 93.748 16.391 1.00 0.00 ATOM 393 CD GLN 62 -13.084 94.152 17.830 1.00 0.00 ATOM 394 OE1 GLN 62 -13.592 93.604 18.822 1.00 0.00 ATOM 395 NE2 GLN 62 -12.186 95.134 17.936 1.00 0.00 ATOM 396 O GLN 62 -11.563 89.818 16.778 1.00 0.00 ATOM 397 C GLN 62 -11.101 90.658 16.039 1.00 0.00 ATOM 398 N THR 63 -10.230 90.359 15.089 1.00 0.00 ATOM 399 CA THR 63 -9.599 89.056 15.043 1.00 0.00 ATOM 400 CB THR 63 -9.211 88.720 13.607 1.00 0.00 ATOM 401 CG2 THR 63 -8.462 87.374 13.532 1.00 0.00 ATOM 402 OG1 THR 63 -10.413 88.654 12.831 1.00 0.00 ATOM 403 O THR 63 -8.254 88.053 16.785 1.00 0.00 ATOM 404 C THR 63 -8.368 88.983 15.974 1.00 0.00 ATOM 405 N TRP 64 -7.480 89.975 15.867 1.00 0.00 ATOM 406 CA TRP 64 -6.199 89.962 16.558 1.00 0.00 ATOM 407 CB TRP 64 -5.107 90.466 15.622 1.00 0.00 ATOM 408 CG TRP 64 -4.928 89.530 14.497 1.00 0.00 ATOM 409 CD1 TRP 64 -5.304 89.710 13.180 1.00 0.00 ATOM 410 CD2 TRP 64 -4.394 88.218 14.590 1.00 0.00 ATOM 411 CE2 TRP 64 -4.411 87.663 13.288 1.00 0.00 ATOM 412 CE3 TRP 64 -3.840 87.469 15.645 1.00 0.00 ATOM 413 NE1 TRP 64 -5.002 88.579 12.454 1.00 0.00 ATOM 414 CZ2 TRP 64 -3.916 86.384 13.014 1.00 0.00 ATOM 415 CZ3 TRP 64 -3.346 86.192 15.369 1.00 0.00 ATOM 416 CH2 TRP 64 -3.381 85.674 14.059 1.00 0.00 ATOM 417 O TRP 64 -5.196 90.599 18.610 1.00 0.00 ATOM 418 C TRP 64 -6.138 90.767 17.838 1.00 0.00 ATOM 419 N HIS 65 -7.130 91.625 18.057 1.00 0.00 ATOM 420 CA HIS 65 -7.185 92.501 19.232 1.00 0.00 ATOM 421 CB HIS 65 -7.627 91.701 20.483 1.00 0.00 ATOM 422 CG HIS 65 -8.934 91.008 20.291 1.00 0.00 ATOM 423 CD2 HIS 65 -10.200 91.481 20.290 1.00 0.00 ATOM 424 ND1 HIS 65 -9.025 89.668 19.981 1.00 0.00 ATOM 425 CE1 HIS 65 -10.297 89.337 19.834 1.00 0.00 ATOM 426 NE2 HIS 65 -11.028 90.426 19.995 1.00 0.00 ATOM 427 O HIS 65 -5.449 93.485 20.595 1.00 0.00 ATOM 428 C HIS 65 -5.902 93.323 19.472 1.00 0.00 ATOM 429 N GLY 66 -5.322 93.832 18.394 1.00 0.00 ATOM 430 CA GLY 66 -4.106 94.645 18.475 1.00 0.00 ATOM 431 O GLY 66 -4.426 94.827 16.118 1.00 0.00 ATOM 432 C GLY 66 -3.747 95.155 17.089 1.00 0.00 ATOM 433 N GLY 67 -2.660 95.915 16.986 1.00 0.00 ATOM 434 CA GLY 67 -2.171 96.334 15.677 1.00 0.00 ATOM 435 O GLY 67 -1.291 94.128 15.273 1.00 0.00 ATOM 436 C GLY 67 -1.826 95.125 14.810 1.00 0.00 ATOM 437 N ILE 68 -2.116 95.221 13.526 1.00 0.00 ATOM 438 CA ILE 68 -1.705 94.177 12.610 1.00 0.00 ATOM 439 CB ILE 68 -2.921 93.640 11.843 1.00 0.00 ATOM 440 CG1 ILE 68 -3.639 94.755 11.100 1.00 0.00 ATOM 441 CG2 ILE 68 -3.881 92.930 12.842 1.00 0.00 ATOM 442 CD1 ILE 68 -4.730 94.273 10.079 1.00 0.00 ATOM 443 O ILE 68 -0.360 95.956 11.686 1.00 0.00 ATOM 444 C ILE 68 -0.566 94.738 11.722 1.00 0.00 ATOM 445 N ALA 69 0.151 93.859 11.002 1.00 0.00 ATOM 446 CA ALA 69 1.425 94.241 10.386 1.00 0.00 ATOM 447 CB ALA 69 2.246 93.024 10.045 1.00 0.00 ATOM 448 O ALA 69 0.283 95.000 8.420 1.00 0.00 ATOM 449 C ALA 69 1.244 95.134 9.141 1.00 0.00 ATOM 450 N THR 70 2.174 96.073 8.939 1.00 0.00 ATOM 451 CA THR 70 2.269 96.797 7.693 1.00 0.00 ATOM 452 CB THR 70 1.342 98.039 7.710 1.00 0.00 ATOM 453 CG2 THR 70 1.734 98.997 8.847 1.00 0.00 ATOM 454 OG1 THR 70 1.352 98.708 6.430 1.00 0.00 ATOM 455 O THR 70 4.553 96.940 8.382 1.00 0.00 ATOM 456 C THR 70 3.723 97.155 7.489 1.00 0.00 ATOM 457 N ILE 71 4.032 97.748 6.330 1.00 0.00 ATOM 458 CA ILE 71 5.395 98.142 6.040 1.00 0.00 ATOM 459 CB ILE 71 6.140 97.102 5.125 1.00 0.00 ATOM 460 CG1 ILE 71 5.302 96.690 3.894 1.00 0.00 ATOM 461 CG2 ILE 71 6.487 95.823 5.897 1.00 0.00 ATOM 462 CD1 ILE 71 6.071 95.773 2.918 1.00 0.00 ATOM 463 O ILE 71 4.361 99.863 4.724 1.00 0.00 ATOM 464 C ILE 71 5.331 99.507 5.400 1.00 0.00 ATOM 465 N PHE 72 6.386 100.272 5.590 1.00 0.00 ATOM 466 CA PHE 72 6.504 101.527 4.856 1.00 0.00 ATOM 467 CB PHE 72 5.944 102.731 5.655 1.00 0.00 ATOM 468 CG PHE 72 6.635 102.983 6.973 1.00 0.00 ATOM 469 CD1 PHE 72 7.832 103.688 7.036 1.00 0.00 ATOM 470 CD2 PHE 72 6.060 102.570 8.157 1.00 0.00 ATOM 471 CE1 PHE 72 8.470 103.906 8.279 1.00 0.00 ATOM 472 CE2 PHE 72 6.681 102.817 9.388 1.00 0.00 ATOM 473 CZ PHE 72 7.878 103.488 9.442 1.00 0.00 ATOM 474 O PHE 72 8.873 101.153 5.066 1.00 0.00 ATOM 475 C PHE 72 7.978 101.723 4.456 1.00 0.00 ATOM 476 N GLN 73 8.212 102.564 3.454 1.00 0.00 ATOM 477 CA GLN 73 9.559 102.850 2.957 1.00 0.00 ATOM 478 CB GLN 73 9.452 103.556 1.608 1.00 0.00 ATOM 479 CG GLN 73 8.926 102.594 0.557 1.00 0.00 ATOM 480 CD GLN 73 8.329 103.313 -0.634 1.00 0.00 ATOM 481 OE1 GLN 73 7.376 104.073 -0.496 1.00 0.00 ATOM 482 NE2 GLN 73 8.887 103.066 -1.807 1.00 0.00 ATOM 483 O GLN 73 9.862 104.692 4.451 1.00 0.00 ATOM 484 C GLN 73 10.361 103.701 3.928 1.00 0.00 ATOM 485 N SER 74 11.617 103.307 4.143 1.00 0.00 ATOM 486 CA SER 74 12.472 103.852 5.198 1.00 0.00 ATOM 487 CB SER 74 11.993 103.321 6.566 1.00 0.00 ATOM 488 OG SER 74 12.723 103.855 7.668 1.00 0.00 ATOM 489 O SER 74 14.269 102.253 5.146 1.00 0.00 ATOM 490 C SER 74 13.912 103.384 4.894 1.00 0.00 ATOM 491 N PRO 75 14.716 104.246 4.256 1.00 0.00 ATOM 492 CA PRO 75 16.086 103.925 3.881 1.00 0.00 ATOM 493 CB PRO 75 16.612 105.266 3.361 1.00 0.00 ATOM 494 CG PRO 75 15.399 105.831 2.655 1.00 0.00 ATOM 495 CD PRO 75 14.326 105.573 3.726 1.00 0.00 ATOM 496 O PRO 75 16.747 103.908 6.185 1.00 0.00 ATOM 497 C PRO 75 16.884 103.411 5.070 1.00 0.00 ATOM 498 N GLY 76 17.621 102.329 4.850 1.00 0.00 ATOM 499 CA GLY 76 18.454 101.801 5.918 1.00 0.00 ATOM 500 O GLY 76 18.478 99.880 7.297 1.00 0.00 ATOM 501 C GLY 76 17.788 100.706 6.699 1.00 0.00 ATOM 502 N ASP 77 16.453 100.661 6.668 1.00 0.00 ATOM 503 CA ASP 77 15.703 99.580 7.313 1.00 0.00 ATOM 504 CB ASP 77 14.355 100.112 7.798 1.00 0.00 ATOM 505 CG ASP 77 14.495 101.035 9.018 1.00 0.00 ATOM 506 OD1 ASP 77 14.990 100.557 10.063 1.00 0.00 ATOM 507 OD2 ASP 77 14.134 102.234 8.919 1.00 0.00 ATOM 508 O ASP 77 15.692 98.405 5.170 1.00 0.00 ATOM 509 C ASP 77 15.508 98.344 6.406 1.00 0.00 ATOM 510 N GLU 78 15.161 97.205 7.005 1.00 0.00 ATOM 511 CA GLU 78 14.803 96.016 6.186 1.00 0.00 ATOM 512 CB GLU 78 16.008 95.097 5.900 1.00 0.00 ATOM 513 CG GLU 78 16.554 94.391 7.095 1.00 0.00 ATOM 514 CD GLU 78 17.938 93.805 6.828 1.00 0.00 ATOM 515 OE1 GLU 78 18.697 94.388 6.004 1.00 0.00 ATOM 516 OE2 GLU 78 18.260 92.766 7.455 1.00 0.00 ATOM 517 O GLU 78 13.497 95.316 8.036 1.00 0.00 ATOM 518 C GLU 78 13.696 95.227 6.824 1.00 0.00 ATOM 519 N VAL 79 12.943 94.502 5.981 1.00 0.00 ATOM 520 CA VAL 79 11.914 93.587 6.419 1.00 0.00 ATOM 521 CB VAL 79 10.500 94.051 5.964 1.00 0.00 ATOM 522 CG1 VAL 79 9.413 92.962 6.225 1.00 0.00 ATOM 523 CG2 VAL 79 10.103 95.349 6.659 1.00 0.00 ATOM 524 O VAL 79 12.370 92.145 4.510 1.00 0.00 ATOM 525 C VAL 79 12.233 92.243 5.759 1.00 0.00 ATOM 526 N TRP 80 12.355 91.208 6.576 1.00 0.00 ATOM 527 CA TRP 80 12.429 89.843 6.044 1.00 0.00 ATOM 528 CB TRP 80 13.422 89.008 6.866 1.00 0.00 ATOM 529 CG TRP 80 14.870 89.360 6.600 1.00 0.00 ATOM 530 CD1 TRP 80 15.588 90.350 7.178 1.00 0.00 ATOM 531 CD2 TRP 80 15.757 88.687 5.701 1.00 0.00 ATOM 532 CE2 TRP 80 17.017 89.335 5.798 1.00 0.00 ATOM 533 CE3 TRP 80 15.607 87.599 4.820 1.00 0.00 ATOM 534 NE1 TRP 80 16.876 90.348 6.708 1.00 0.00 ATOM 535 CZ2 TRP 80 18.130 88.942 5.041 1.00 0.00 ATOM 536 CZ3 TRP 80 16.721 87.201 4.059 1.00 0.00 ATOM 537 CH2 TRP 80 17.958 87.889 4.167 1.00 0.00 ATOM 538 O TRP 80 10.191 89.375 6.875 1.00 0.00 ATOM 539 C TRP 80 11.071 89.149 6.000 1.00 0.00 ATOM 540 N GLY 81 10.886 88.267 5.015 1.00 0.00 ATOM 541 CA GLY 81 9.653 87.472 4.990 1.00 0.00 ATOM 542 O GLY 81 10.806 85.775 3.764 1.00 0.00 ATOM 543 C GLY 81 9.733 86.198 4.205 1.00 0.00 ATOM 544 N VAL 82 8.573 85.577 4.035 1.00 0.00 ATOM 545 CA VAL 82 8.458 84.341 3.272 1.00 0.00 ATOM 546 CB VAL 82 7.690 83.204 4.083 1.00 0.00 ATOM 547 CG1 VAL 82 7.387 81.955 3.198 1.00 0.00 ATOM 548 CG2 VAL 82 8.494 82.816 5.354 1.00 0.00 ATOM 549 O VAL 82 6.676 85.337 2.004 1.00 0.00 ATOM 550 C VAL 82 7.743 84.667 1.981 1.00 0.00 ATOM 551 N VAL 83 8.328 84.218 0.874 1.00 0.00 ATOM 552 CA VAL 83 7.665 84.240 -0.454 1.00 0.00 ATOM 553 CB VAL 83 8.722 84.427 -1.606 1.00 0.00 ATOM 554 CG1 VAL 83 8.057 84.407 -2.999 1.00 0.00 ATOM 555 CG2 VAL 83 9.511 85.687 -1.419 1.00 0.00 ATOM 556 O VAL 83 7.513 81.848 -0.500 1.00 0.00 ATOM 557 C VAL 83 6.918 82.913 -0.649 1.00 0.00 ATOM 558 N TRP 84 5.609 82.977 -0.908 1.00 0.00 ATOM 559 CA TRP 84 4.779 81.791 -1.142 1.00 0.00 ATOM 560 CB TRP 84 3.478 81.877 -0.357 1.00 0.00 ATOM 561 CG TRP 84 3.708 81.953 1.120 1.00 0.00 ATOM 562 CD1 TRP 84 3.777 83.086 1.889 1.00 0.00 ATOM 563 CD2 TRP 84 3.915 80.849 1.999 1.00 0.00 ATOM 564 CE2 TRP 84 4.091 81.378 3.301 1.00 0.00 ATOM 565 CE3 TRP 84 3.894 79.446 1.825 1.00 0.00 ATOM 566 NE1 TRP 84 4.010 82.746 3.216 1.00 0.00 ATOM 567 CZ2 TRP 84 4.300 80.563 4.414 1.00 0.00 ATOM 568 CZ3 TRP 84 4.100 78.650 2.932 1.00 0.00 ATOM 569 CH2 TRP 84 4.304 79.228 4.222 1.00 0.00 ATOM 570 O TRP 84 4.195 82.763 -3.214 1.00 0.00 ATOM 571 C TRP 84 4.396 81.721 -2.600 1.00 0.00 ATOM 572 N LYS 85 4.309 80.510 -3.167 1.00 0.00 ATOM 573 CA LYS 85 3.836 80.401 -4.538 1.00 0.00 ATOM 574 CB LYS 85 4.714 79.412 -5.326 1.00 0.00 ATOM 575 CG LYS 85 4.393 79.302 -6.793 1.00 0.00 ATOM 576 CD LYS 85 5.407 78.353 -7.436 1.00 0.00 ATOM 577 CE LYS 85 5.066 78.014 -8.864 1.00 0.00 ATOM 578 NZ LYS 85 6.309 77.898 -9.713 1.00 0.00 ATOM 579 O LYS 85 2.055 78.998 -3.853 1.00 0.00 ATOM 580 C LYS 85 2.375 79.944 -4.517 1.00 0.00 ATOM 581 N MET 86 1.508 80.616 -5.260 1.00 0.00 ATOM 582 CA MET 86 0.085 80.250 -5.296 1.00 0.00 ATOM 583 CB MET 86 -0.711 81.208 -4.448 1.00 0.00 ATOM 584 CG MET 86 -0.628 80.919 -2.955 1.00 0.00 ATOM 585 SD MET 86 -1.437 82.361 -1.942 1.00 0.00 ATOM 586 CE MET 86 -0.223 83.499 -2.196 1.00 0.00 ATOM 587 O MET 86 0.146 80.924 -7.586 1.00 0.00 ATOM 588 C MET 86 -0.464 80.302 -6.712 1.00 0.00 ATOM 589 N ASN 87 -1.600 79.633 -6.949 1.00 0.00 ATOM 590 CA ASN 87 -2.217 79.738 -8.263 1.00 0.00 ATOM 591 CB ASN 87 -3.254 78.638 -8.517 1.00 0.00 ATOM 592 CG ASN 87 -3.627 78.532 -10.004 1.00 0.00 ATOM 593 ND2 ASN 87 -3.107 77.501 -10.664 1.00 0.00 ATOM 594 OD1 ASN 87 -4.338 79.384 -10.558 1.00 0.00 ATOM 595 O ASN 87 -3.434 81.616 -7.435 1.00 0.00 ATOM 596 C ASN 87 -2.848 81.106 -8.400 1.00 0.00 ATOM 597 N LYS 88 -2.712 81.689 -9.590 1.00 0.00 ATOM 598 CA LYS 88 -3.377 82.950 -9.939 1.00 0.00 ATOM 599 CB LYS 88 -3.044 83.394 -11.372 1.00 0.00 ATOM 600 CG LYS 88 -1.783 84.237 -11.497 1.00 0.00 ATOM 601 CD LYS 88 -1.512 84.547 -12.964 1.00 0.00 ATOM 602 CE LYS 88 -0.236 85.339 -13.181 1.00 0.00 ATOM 603 NZ LYS 88 0.327 85.052 -14.540 1.00 0.00 ATOM 604 O LYS 88 -5.529 83.880 -9.530 1.00 0.00 ATOM 605 C LYS 88 -4.889 82.867 -9.749 1.00 0.00 ATOM 606 N SER 89 -5.458 81.667 -9.778 1.00 0.00 ATOM 607 CA SER 89 -6.878 81.523 -9.407 1.00 0.00 ATOM 608 CB SER 89 -7.287 80.080 -9.528 1.00 0.00 ATOM 609 OG SER 89 -6.718 79.340 -8.456 1.00 0.00 ATOM 610 O SER 89 -8.378 82.392 -7.690 1.00 0.00 ATOM 611 C SER 89 -7.224 82.012 -7.971 1.00 0.00 ATOM 612 N ASN 90 -6.213 81.997 -7.100 1.00 0.00 ATOM 613 CA ASN 90 -6.328 82.328 -5.680 1.00 0.00 ATOM 614 CB ASN 90 -5.271 81.527 -4.886 1.00 0.00 ATOM 615 CG ASN 90 -5.505 81.545 -3.387 1.00 0.00 ATOM 616 ND2 ASN 90 -6.189 80.530 -2.877 1.00 0.00 ATOM 617 OD1 ASN 90 -5.041 82.439 -2.691 1.00 0.00 ATOM 618 O ASN 90 -6.376 84.317 -4.327 1.00 0.00 ATOM 619 C ASN 90 -6.181 83.832 -5.441 1.00 0.00 ATOM 620 N LEU 91 -5.875 84.569 -6.505 1.00 0.00 ATOM 621 CA LEU 91 -5.567 86.014 -6.425 1.00 0.00 ATOM 622 CB LEU 91 -5.248 86.528 -7.826 1.00 0.00 ATOM 623 CG LEU 91 -4.169 87.552 -8.228 1.00 0.00 ATOM 624 CD1 LEU 91 -2.830 87.473 -7.490 1.00 0.00 ATOM 625 CD2 LEU 91 -3.942 87.511 -9.768 1.00 0.00 ATOM 626 O LEU 91 -6.428 87.668 -4.832 1.00 0.00 ATOM 627 C LEU 91 -6.685 86.874 -5.776 1.00 0.00 ATOM 628 N ASN 92 -7.926 86.687 -6.240 1.00 0.00 ATOM 629 CA ASN 92 -9.076 87.374 -5.633 1.00 0.00 ATOM 630 CB ASN 92 -10.380 87.151 -6.426 1.00 0.00 ATOM 631 CG ASN 92 -10.377 87.863 -7.765 1.00 0.00 ATOM 632 ND2 ASN 92 -11.030 87.253 -8.741 1.00 0.00 ATOM 633 OD1 ASN 92 -9.789 88.949 -7.926 1.00 0.00 ATOM 634 O ASN 92 -9.635 87.871 -3.401 1.00 0.00 ATOM 635 C ASN 92 -9.309 87.005 -4.205 1.00 0.00 ATOM 636 N SER 93 -9.185 85.721 -3.880 1.00 0.00 ATOM 637 CA SER 93 -9.359 85.310 -2.509 1.00 0.00 ATOM 638 CB SER 93 -9.175 83.801 -2.380 1.00 0.00 ATOM 639 OG SER 93 -9.335 83.413 -1.017 1.00 0.00 ATOM 640 O SER 93 -8.650 86.536 -0.537 1.00 0.00 ATOM 641 C SER 93 -8.329 86.057 -1.634 1.00 0.00 ATOM 642 N LEU 94 -7.077 86.137 -2.106 1.00 0.00 ATOM 643 CA LEU 94 -6.041 86.645 -1.240 1.00 0.00 ATOM 644 CB LEU 94 -4.653 86.327 -1.799 1.00 0.00 ATOM 645 CG LEU 94 -3.425 86.753 -0.961 1.00 0.00 ATOM 646 CD1 LEU 94 -3.375 85.919 0.323 1.00 0.00 ATOM 647 CD2 LEU 94 -2.121 86.589 -1.772 1.00 0.00 ATOM 648 O LEU 94 -6.167 88.628 0.127 1.00 0.00 ATOM 649 C LEU 94 -6.295 88.129 -1.008 1.00 0.00 ATOM 650 N ASP 95 -6.734 88.837 -2.057 1.00 0.00 ATOM 651 CA ASP 95 -7.139 90.242 -1.904 1.00 0.00 ATOM 652 CB ASP 95 -7.563 90.810 -3.252 1.00 0.00 ATOM 653 CG ASP 95 -6.384 91.045 -4.196 1.00 0.00 ATOM 654 OD1 ASP 95 -5.187 90.753 -3.812 1.00 0.00 ATOM 655 OD2 ASP 95 -6.687 91.548 -5.318 1.00 0.00 ATOM 656 O ASP 95 -8.309 91.367 -0.095 1.00 0.00 ATOM 657 C ASP 95 -8.291 90.402 -0.903 1.00 0.00 ATOM 658 N GLU 96 -9.235 89.449 -0.916 1.00 0.00 ATOM 659 CA GLU 96 -10.352 89.497 0.064 1.00 0.00 ATOM 660 CB GLU 96 -11.504 88.510 -0.271 1.00 0.00 ATOM 661 CG GLU 96 -12.783 88.704 0.623 1.00 0.00 ATOM 662 CD GLU 96 -12.783 87.993 2.042 1.00 0.00 ATOM 663 OE1 GLU 96 -11.793 87.314 2.439 1.00 0.00 ATOM 664 OE2 GLU 96 -13.819 88.108 2.771 1.00 0.00 ATOM 665 O GLU 96 -10.298 89.971 2.422 1.00 0.00 ATOM 666 C GLU 96 -9.859 89.286 1.498 1.00 0.00 ATOM 667 N GLN 97 -8.919 88.370 1.684 1.00 0.00 ATOM 668 CA GLN 97 -8.334 88.118 3.028 1.00 0.00 ATOM 669 CB GLN 97 -7.383 86.935 2.958 1.00 0.00 ATOM 670 CG GLN 97 -8.066 85.665 2.395 1.00 0.00 ATOM 671 CD GLN 97 -7.062 84.560 2.152 1.00 0.00 ATOM 672 OE1 GLN 97 -6.081 84.442 2.888 1.00 0.00 ATOM 673 NE2 GLN 97 -7.315 83.721 1.138 1.00 0.00 ATOM 674 O GLN 97 -7.714 89.550 4.889 1.00 0.00 ATOM 675 C GLN 97 -7.643 89.332 3.646 1.00 0.00 ATOM 676 N GLU 98 -7.004 90.148 2.780 1.00 0.00 ATOM 677 CA GLU 98 -6.286 91.387 3.192 1.00 0.00 ATOM 678 CB GLU 98 -5.098 91.604 2.239 1.00 0.00 ATOM 679 CG GLU 98 -4.214 90.323 2.113 1.00 0.00 ATOM 680 CD GLU 98 -3.177 90.234 3.247 1.00 0.00 ATOM 681 OE1 GLU 98 -2.916 91.290 3.896 1.00 0.00 ATOM 682 OE2 GLU 98 -2.628 89.127 3.494 1.00 0.00 ATOM 683 O GLU 98 -6.649 93.760 3.314 1.00 0.00 ATOM 684 C GLU 98 -7.160 92.650 3.222 1.00 0.00 ATOM 685 N GLY 99 -8.473 92.472 3.098 1.00 0.00 ATOM 686 CA GLY 99 -9.448 93.556 3.140 1.00 0.00 ATOM 687 O GLY 99 -9.396 95.887 2.513 1.00 0.00 ATOM 688 C GLY 99 -9.161 94.708 2.188 1.00 0.00 ATOM 689 N VAL 100 -8.666 94.381 1.004 1.00 0.00 ATOM 690 CA VAL 100 -8.364 95.427 0.022 1.00 0.00 ATOM 691 CB VAL 100 -7.727 94.842 -1.251 1.00 0.00 ATOM 692 CG1 VAL 100 -7.563 95.900 -2.324 1.00 0.00 ATOM 693 CG2 VAL 100 -6.353 94.191 -0.905 1.00 0.00 ATOM 694 O VAL 100 -9.574 97.501 -0.217 1.00 0.00 ATOM 695 C VAL 100 -9.622 96.265 -0.266 1.00 0.00 ATOM 696 N LYS 101 -10.758 95.600 -0.482 1.00 0.00 ATOM 697 CA LYS 101 -12.036 96.285 -0.823 1.00 0.00 ATOM 698 CB LYS 101 -13.134 95.270 -1.207 1.00 0.00 ATOM 699 CG LYS 101 -12.974 94.600 -2.587 1.00 0.00 ATOM 700 CD LYS 101 -14.223 93.757 -2.991 1.00 0.00 ATOM 701 CE LYS 101 -13.928 92.710 -4.118 1.00 0.00 ATOM 702 NZ LYS 101 -15.099 91.809 -4.528 1.00 0.00 ATOM 703 O LYS 101 -13.121 98.323 -0.053 1.00 0.00 ATOM 704 C LYS 101 -12.536 97.256 0.262 1.00 0.00 ATOM 705 N SER 102 -12.289 96.928 1.534 1.00 0.00 ATOM 706 CA SER 102 -12.627 97.833 2.660 1.00 0.00 ATOM 707 CB SER 102 -12.892 97.030 3.929 1.00 0.00 ATOM 708 OG SER 102 -12.016 95.931 3.989 1.00 0.00 ATOM 709 O SER 102 -11.688 99.650 3.926 1.00 0.00 ATOM 710 C SER 102 -11.571 98.893 2.963 1.00 0.00 ATOM 711 N GLY 103 -10.514 98.935 2.177 1.00 0.00 ATOM 712 CA GLY 103 -9.483 99.913 2.411 1.00 0.00 ATOM 713 O GLY 103 -7.744 100.505 3.953 1.00 0.00 ATOM 714 C GLY 103 -8.490 99.592 3.521 1.00 0.00 ATOM 715 N MET 104 -8.427 98.337 3.996 1.00 0.00 ATOM 716 CA MET 104 -7.496 98.011 5.109 1.00 0.00 ATOM 717 CB MET 104 -8.029 96.877 6.033 1.00 0.00 ATOM 718 CG MET 104 -7.473 95.449 5.823 1.00 0.00 ATOM 719 SD MET 104 -7.666 94.071 7.289 1.00 0.00 ATOM 720 CE MET 104 -7.734 95.188 8.765 1.00 0.00 ATOM 721 O MET 104 -5.067 98.149 5.281 1.00 0.00 ATOM 722 C MET 104 -6.050 97.795 4.625 1.00 0.00 ATOM 723 N TYR 105 -5.912 97.034 3.477 1.00 0.00 ATOM 724 CA TYR 105 -4.567 97.116 2.757 1.00 0.00 ATOM 725 CB TYR 105 -3.989 95.701 2.819 1.00 0.00 ATOM 726 CG TYR 105 -3.470 95.332 4.203 1.00 0.00 ATOM 727 CD1 TYR 105 -4.346 94.864 5.189 1.00 0.00 ATOM 728 CD2 TYR 105 -2.118 95.431 4.520 1.00 0.00 ATOM 729 CE1 TYR 105 -3.902 94.502 6.468 1.00 0.00 ATOM 730 CE2 TYR 105 -1.662 95.061 5.790 1.00 0.00 ATOM 731 CZ TYR 105 -2.566 94.597 6.749 1.00 0.00 ATOM 732 OH TYR 105 -2.162 94.238 8.031 1.00 0.00 ATOM 733 O TYR 105 -5.800 97.417 0.687 1.00 0.00 ATOM 734 C TYR 105 -4.723 97.519 1.266 1.00 0.00 ATOM 735 N VAL 106 -3.630 98.002 0.679 1.00 0.00 ATOM 736 CA VAL 106 -3.533 98.166 -0.771 1.00 0.00 ATOM 737 CB VAL 106 -3.028 99.618 -1.188 1.00 0.00 ATOM 738 CG1 VAL 106 -1.569 99.877 -0.805 1.00 0.00 ATOM 739 CG2 VAL 106 -3.244 99.893 -2.729 1.00 0.00 ATOM 740 O VAL 106 -1.635 96.669 -0.656 1.00 0.00 ATOM 741 C VAL 106 -2.622 97.047 -1.326 1.00 0.00 ATOM 742 N VAL 107 -2.957 96.514 -2.504 1.00 0.00 ATOM 743 CA VAL 107 -2.023 95.630 -3.238 1.00 0.00 ATOM 744 CB VAL 107 -2.671 95.066 -4.519 1.00 0.00 ATOM 745 CG1 VAL 107 -1.714 94.137 -5.241 1.00 0.00 ATOM 746 CG2 VAL 107 -3.956 94.257 -4.207 1.00 0.00 ATOM 747 O VAL 107 -0.737 97.437 -4.165 1.00 0.00 ATOM 748 C VAL 107 -0.703 96.340 -3.625 1.00 0.00 ATOM 749 N ILE 108 0.457 95.738 -3.360 1.00 0.00 ATOM 750 CA ILE 108 1.680 96.337 -3.889 1.00 0.00 ATOM 751 CB ILE 108 2.606 96.907 -2.784 1.00 0.00 ATOM 752 CG1 ILE 108 3.033 95.802 -1.820 1.00 0.00 ATOM 753 CG2 ILE 108 1.896 98.087 -2.020 1.00 0.00 ATOM 754 CD1 ILE 108 3.936 96.296 -0.613 1.00 0.00 ATOM 755 O ILE 108 2.091 94.108 -4.615 1.00 0.00 ATOM 756 C ILE 108 2.431 95.284 -4.672 1.00 0.00 ATOM 757 N GLU 109 3.416 95.742 -5.434 1.00 0.00 ATOM 758 CA GLU 109 4.452 94.897 -6.022 1.00 0.00 ATOM 759 CB GLU 109 4.537 95.133 -7.511 1.00 0.00 ATOM 760 CG GLU 109 5.546 94.298 -8.252 1.00 0.00 ATOM 761 CD GLU 109 5.617 94.682 -9.738 1.00 0.00 ATOM 762 OE1 GLU 109 4.680 94.336 -10.479 1.00 0.00 ATOM 763 OE2 GLU 109 6.558 95.396 -10.150 1.00 0.00 ATOM 764 O GLU 109 6.057 96.547 -5.262 1.00 0.00 ATOM 765 C GLU 109 5.751 95.354 -5.371 1.00 0.00 ATOM 766 N VAL 110 6.522 94.375 -4.935 1.00 0.00 ATOM 767 CA VAL 110 7.855 94.615 -4.424 1.00 0.00 ATOM 768 CB VAL 110 7.905 94.467 -2.892 1.00 0.00 ATOM 769 CG1 VAL 110 7.112 95.519 -2.195 1.00 0.00 ATOM 770 CG2 VAL 110 7.410 93.100 -2.461 1.00 0.00 ATOM 771 O VAL 110 8.511 92.534 -5.430 1.00 0.00 ATOM 772 C VAL 110 8.865 93.608 -4.999 1.00 0.00 ATOM 773 N LYS 111 10.134 93.995 -4.952 1.00 0.00 ATOM 774 CA LYS 111 11.256 93.206 -5.433 1.00 0.00 ATOM 775 CB LYS 111 12.085 93.984 -6.478 1.00 0.00 ATOM 776 CG LYS 111 11.278 94.202 -7.784 1.00 0.00 ATOM 777 CD LYS 111 12.085 94.912 -8.853 1.00 0.00 ATOM 778 CE LYS 111 11.294 94.886 -10.182 1.00 0.00 ATOM 779 NZ LYS 111 11.968 95.607 -11.289 1.00 0.00 ATOM 780 O LYS 111 12.483 93.918 -3.533 1.00 0.00 ATOM 781 C LYS 111 12.042 92.963 -4.201 1.00 0.00 ATOM 782 N VAL 112 12.131 91.685 -3.856 1.00 0.00 ATOM 783 CA VAL 112 12.853 91.189 -2.682 1.00 0.00 ATOM 784 CB VAL 112 11.946 90.394 -1.746 1.00 0.00 ATOM 785 CG1 VAL 112 10.822 91.333 -1.152 1.00 0.00 ATOM 786 CG2 VAL 112 11.308 89.232 -2.484 1.00 0.00 ATOM 787 O VAL 112 14.101 89.809 -4.259 1.00 0.00 ATOM 788 C VAL 112 14.051 90.317 -3.118 1.00 0.00 ATOM 789 N ALA 113 14.999 90.135 -2.201 1.00 0.00 ATOM 790 CA ALA 113 16.248 89.397 -2.512 1.00 0.00 ATOM 791 CB ALA 113 17.424 90.351 -2.384 1.00 0.00 ATOM 792 O ALA 113 16.311 88.348 -0.353 1.00 0.00 ATOM 793 C ALA 113 16.430 88.206 -1.571 1.00 0.00 ATOM 794 N THR 114 16.708 87.037 -2.145 1.00 0.00 ATOM 795 CA THR 114 17.007 85.831 -1.384 1.00 0.00 ATOM 796 CB THR 114 17.077 84.625 -2.297 1.00 0.00 ATOM 797 CG2 THR 114 15.928 84.680 -3.293 1.00 0.00 ATOM 798 OG1 THR 114 18.314 84.658 -3.036 1.00 0.00 ATOM 799 O THR 114 19.048 87.032 -0.954 1.00 0.00 ATOM 800 C THR 114 18.366 86.030 -0.714 1.00 0.00 ATOM 801 N GLN 115 18.745 85.064 0.123 1.00 0.00 ATOM 802 CA GLN 115 20.019 85.083 0.794 1.00 0.00 ATOM 803 CB GLN 115 20.038 84.069 1.943 1.00 0.00 ATOM 804 CG GLN 115 19.299 84.605 3.161 1.00 0.00 ATOM 805 CD GLN 115 18.815 83.512 4.086 1.00 0.00 ATOM 806 OE1 GLN 115 19.341 83.355 5.194 1.00 0.00 ATOM 807 NE2 GLN 115 17.806 82.738 3.638 1.00 0.00 ATOM 808 O GLN 115 22.324 85.265 0.202 1.00 0.00 ATOM 809 C GLN 115 21.201 84.891 -0.144 1.00 0.00 ATOM 810 N GLU 116 20.950 84.355 -1.331 1.00 0.00 ATOM 811 CA GLU 116 21.987 84.271 -2.382 1.00 0.00 ATOM 812 CB GLU 116 21.709 83.115 -3.335 1.00 0.00 ATOM 813 CG GLU 116 21.929 81.733 -2.724 1.00 0.00 ATOM 814 CD GLU 116 20.887 81.397 -1.729 1.00 0.00 ATOM 815 OE1 GLU 116 19.683 81.615 -2.028 1.00 0.00 ATOM 816 OE2 GLU 116 21.274 80.932 -0.638 1.00 0.00 ATOM 817 O GLU 116 22.782 85.560 -4.228 1.00 0.00 ATOM 818 C GLU 116 22.042 85.517 -3.249 1.00 0.00 ATOM 819 N GLY 117 21.199 86.497 -2.963 1.00 0.00 ATOM 820 CA GLY 117 21.181 87.727 -3.747 1.00 0.00 ATOM 821 O GLY 117 20.631 88.437 -5.950 1.00 0.00 ATOM 822 C GLY 117 20.403 87.630 -5.054 1.00 0.00 ATOM 823 N LYS 118 19.475 86.680 -5.160 1.00 0.00 ATOM 824 CA LYS 118 18.571 86.608 -6.323 1.00 0.00 ATOM 825 CB LYS 118 18.183 85.147 -6.629 1.00 0.00 ATOM 826 CG LYS 118 17.447 84.929 -7.993 1.00 0.00 ATOM 827 CD LYS 118 17.022 83.433 -8.222 1.00 0.00 ATOM 828 CE LYS 118 15.930 83.284 -9.332 1.00 0.00 ATOM 829 NZ LYS 118 16.069 82.057 -10.240 1.00 0.00 ATOM 830 O LYS 118 16.662 87.357 -5.026 1.00 0.00 ATOM 831 C LYS 118 17.307 87.467 -6.081 1.00 0.00 ATOM 832 N GLU 119 16.967 88.301 -7.059 1.00 0.00 ATOM 833 CA GLU 119 15.836 89.198 -6.949 1.00 0.00 ATOM 834 CB GLU 119 16.120 90.505 -7.715 1.00 0.00 ATOM 835 CG GLU 119 15.028 91.549 -7.652 1.00 0.00 ATOM 836 CD GLU 119 15.602 92.966 -7.747 1.00 0.00 ATOM 837 OE1 GLU 119 16.316 93.391 -6.804 1.00 0.00 ATOM 838 OE2 GLU 119 15.349 93.648 -8.769 1.00 0.00 ATOM 839 O GLU 119 14.573 87.854 -8.478 1.00 0.00 ATOM 840 C GLU 119 14.571 88.521 -7.447 1.00 0.00 ATOM 841 N ILE 120 13.485 88.720 -6.713 1.00 0.00 ATOM 842 CA ILE 120 12.188 88.087 -7.007 1.00 0.00 ATOM 843 CB ILE 120 11.875 86.990 -5.907 1.00 0.00 ATOM 844 CG1 ILE 120 12.903 85.870 -5.936 1.00 0.00 ATOM 845 CG2 ILE 120 10.481 86.437 -6.011 1.00 0.00 ATOM 846 CD1 ILE 120 13.048 85.242 -4.613 1.00 0.00 ATOM 847 O ILE 120 11.126 89.969 -5.954 1.00 0.00 ATOM 848 C ILE 120 11.124 89.188 -6.918 1.00 0.00 ATOM 849 N THR 121 10.265 89.266 -7.931 1.00 0.00 ATOM 850 CA THR 121 9.123 90.177 -7.938 1.00 0.00 ATOM 851 CB THR 121 8.767 90.614 -9.370 1.00 0.00 ATOM 852 CG2 THR 121 7.724 91.726 -9.405 1.00 0.00 ATOM 853 OG1 THR 121 9.946 91.094 -9.988 1.00 0.00 ATOM 854 O THR 121 7.526 88.384 -7.694 1.00 0.00 ATOM 855 C THR 121 7.918 89.487 -7.299 1.00 0.00 ATOM 856 N CYS 122 7.310 90.162 -6.324 1.00 0.00 ATOM 857 CA CYS 122 6.190 89.557 -5.586 1.00 0.00 ATOM 858 CB CYS 122 6.615 89.242 -4.170 1.00 0.00 ATOM 859 SG CYS 122 7.982 88.133 -4.048 1.00 0.00 ATOM 860 O CYS 122 5.217 91.727 -5.441 1.00 0.00 ATOM 861 C CYS 122 5.033 90.514 -5.460 1.00 0.00 ATOM 862 N ARG 123 3.851 89.951 -5.295 1.00 0.00 ATOM 863 CA ARG 123 2.716 90.687 -4.804 1.00 0.00 ATOM 864 CB ARG 123 1.465 89.964 -5.273 1.00 0.00 ATOM 865 CG ARG 123 0.158 90.665 -4.960 1.00 0.00 ATOM 866 CD ARG 123 -0.974 89.736 -5.397 1.00 0.00 ATOM 867 NE ARG 123 -2.278 90.417 -5.479 1.00 0.00 ATOM 868 CZ ARG 123 -2.671 91.120 -6.533 1.00 0.00 ATOM 869 NH1 ARG 123 -1.843 91.277 -7.584 1.00 0.00 ATOM 870 NH2 ARG 123 -3.868 91.694 -6.529 1.00 0.00 ATOM 871 O ARG 123 3.073 89.734 -2.579 1.00 0.00 ATOM 872 C ARG 123 2.768 90.741 -3.262 1.00 0.00 ATOM 873 N SER 124 2.478 91.902 -2.695 1.00 0.00 ATOM 874 CA SER 124 2.353 91.996 -1.253 1.00 0.00 ATOM 875 CB SER 124 3.697 92.377 -0.601 1.00 0.00 ATOM 876 OG SER 124 3.643 92.056 0.846 1.00 0.00 ATOM 877 O SER 124 0.468 93.459 -1.810 1.00 0.00 ATOM 878 C SER 124 1.242 93.037 -0.919 1.00 0.00 ATOM 879 N TYR 125 1.176 93.463 0.342 1.00 0.00 ATOM 880 CA TYR 125 0.091 94.347 0.793 1.00 0.00 ATOM 881 CB TYR 125 -1.024 93.481 1.446 1.00 0.00 ATOM 882 CG TYR 125 -1.664 92.533 0.438 1.00 0.00 ATOM 883 CD1 TYR 125 -2.730 92.949 -0.357 1.00 0.00 ATOM 884 CD2 TYR 125 -1.143 91.227 0.264 1.00 0.00 ATOM 885 CE1 TYR 125 -3.314 92.068 -1.318 1.00 0.00 ATOM 886 CE2 TYR 125 -1.698 90.344 -0.649 1.00 0.00 ATOM 887 CZ TYR 125 -2.774 90.756 -1.429 1.00 0.00 ATOM 888 OH TYR 125 -3.275 89.868 -2.337 1.00 0.00 ATOM 889 O TYR 125 1.545 94.861 2.589 1.00 0.00 ATOM 890 C TYR 125 0.672 95.285 1.824 1.00 0.00 ATOM 891 N LEU 126 0.218 96.533 1.863 1.00 0.00 ATOM 892 CA LEU 126 0.529 97.418 3.024 1.00 0.00 ATOM 893 CB LEU 126 1.883 98.184 2.856 1.00 0.00 ATOM 894 CG LEU 126 2.112 99.003 1.567 1.00 0.00 ATOM 895 CD1 LEU 126 1.204 100.230 1.508 1.00 0.00 ATOM 896 CD2 LEU 126 3.584 99.391 1.363 1.00 0.00 ATOM 897 O LEU 126 -1.555 98.483 2.456 1.00 0.00 ATOM 898 C LEU 126 -0.650 98.325 3.308 1.00 0.00 ATOM 899 N MET 127 -0.651 98.930 4.496 1.00 0.00 ATOM 900 CA MET 127 -1.724 99.828 4.871 1.00 0.00 ATOM 901 CB MET 127 -1.978 99.736 6.369 1.00 0.00 ATOM 902 CG MET 127 -2.387 98.342 6.762 1.00 0.00 ATOM 903 SD MET 127 -3.327 98.435 8.451 1.00 0.00 ATOM 904 CE MET 127 -1.957 98.782 9.336 1.00 0.00 ATOM 905 O MET 127 -0.130 101.584 4.581 1.00 0.00 ATOM 906 C MET 127 -1.320 101.261 4.499 1.00 0.00 ATOM 907 N THR 128 -2.292 102.077 4.089 1.00 0.00 ATOM 908 CA THR 128 -2.032 103.468 3.632 1.00 0.00 ATOM 909 CB THR 128 -2.566 103.716 2.215 1.00 0.00 ATOM 910 CG2 THR 128 -1.931 102.773 1.172 1.00 0.00 ATOM 911 OG1 THR 128 -3.988 103.549 2.197 1.00 0.00 ATOM 912 O THR 128 -2.338 105.677 4.481 1.00 0.00 ATOM 913 C THR 128 -2.639 104.502 4.581 1.00 0.00 ATOM 914 N ASN 129 -3.476 104.054 5.508 1.00 0.00 ATOM 915 CA ASN 129 -4.241 104.944 6.377 1.00 0.00 ATOM 916 CB ASN 129 -5.631 105.286 5.810 1.00 0.00 ATOM 917 CG ASN 129 -6.286 106.483 6.568 1.00 0.00 ATOM 918 ND2 ASN 129 -7.382 107.012 6.032 1.00 0.00 ATOM 919 OD1 ASN 129 -5.779 106.916 7.625 1.00 0.00 ATOM 920 O ASN 129 -5.276 103.298 7.765 1.00 0.00 ATOM 921 C ASN 129 -4.423 104.200 7.672 1.00 0.00 ATOM 922 N TYR 130 -3.565 104.491 8.646 1.00 0.00 ATOM 923 CA TYR 130 -3.623 103.703 9.875 1.00 0.00 ATOM 924 CB TYR 130 -2.920 102.341 9.727 1.00 0.00 ATOM 925 CG TYR 130 -1.408 102.405 9.746 1.00 0.00 ATOM 926 CD1 TYR 130 -0.697 102.660 8.579 1.00 0.00 ATOM 927 CD2 TYR 130 -0.687 102.174 10.936 1.00 0.00 ATOM 928 CE1 TYR 130 0.682 102.743 8.596 1.00 0.00 ATOM 929 CE2 TYR 130 0.681 102.223 10.960 1.00 0.00 ATOM 930 CZ TYR 130 1.359 102.510 9.794 1.00 0.00 ATOM 931 OH TYR 130 2.727 102.568 9.799 1.00 0.00 ATOM 932 O TYR 130 -2.287 105.407 10.872 1.00 0.00 ATOM 933 C TYR 130 -3.048 104.458 11.056 1.00 0.00 ATOM 934 N GLU 131 -3.363 103.970 12.249 1.00 0.00 ATOM 935 CA GLU 131 -2.759 104.510 13.494 1.00 0.00 ATOM 936 CB GLU 131 -3.876 104.894 14.497 1.00 0.00 ATOM 937 CG GLU 131 -4.701 106.145 14.035 1.00 0.00 ATOM 938 CD GLU 131 -6.040 106.338 14.802 1.00 0.00 ATOM 939 OE1 GLU 131 -6.288 105.587 15.779 1.00 0.00 ATOM 940 OE2 GLU 131 -6.854 107.233 14.417 1.00 0.00 ATOM 941 O GLU 131 -2.338 102.360 14.385 1.00 0.00 ATOM 942 C GLU 131 -1.859 103.447 14.116 1.00 0.00 ATOM 943 N SER 132 -0.577 103.764 14.320 1.00 0.00 ATOM 944 CA SER 132 0.370 102.937 15.026 1.00 0.00 ATOM 945 CB SER 132 1.600 103.770 15.383 1.00 0.00 ATOM 946 OG SER 132 2.380 104.060 14.225 1.00 0.00 ATOM 947 O SER 132 -0.846 103.102 17.098 1.00 0.00 ATOM 948 C SER 132 -0.241 102.365 16.311 1.00 0.00 ATOM 949 N ALA 133 -0.064 101.066 16.528 1.00 0.00 ATOM 950 CA ALA 133 -0.596 100.393 17.735 1.00 0.00 ATOM 951 CB ALA 133 -2.110 100.228 17.654 1.00 0.00 ATOM 952 O ALA 133 0.140 98.267 16.918 1.00 0.00 ATOM 953 C ALA 133 0.047 99.028 17.896 1.00 0.00 ATOM 954 N PRO 134 0.513 98.711 19.118 1.00 0.00 ATOM 955 CA PRO 134 1.225 97.434 19.268 1.00 0.00 ATOM 956 CB PRO 134 1.731 97.442 20.714 1.00 0.00 ATOM 957 CG PRO 134 1.120 98.649 21.396 1.00 0.00 ATOM 958 CD PRO 134 0.451 99.512 20.362 1.00 0.00 ATOM 959 O PRO 134 -0.870 96.303 19.076 1.00 0.00 ATOM 960 C PRO 134 0.364 96.216 18.987 1.00 0.00 ATOM 961 N PRO 135 1.000 95.093 18.595 1.00 0.00 ATOM 962 CA PRO 135 0.255 93.872 18.348 1.00 0.00 ATOM 963 CB PRO 135 1.248 93.003 17.600 1.00 0.00 ATOM 964 CG PRO 135 2.598 93.445 18.060 1.00 0.00 ATOM 965 CD PRO 135 2.452 94.926 18.309 1.00 0.00 ATOM 966 O PRO 135 0.463 93.399 20.690 1.00 0.00 ATOM 967 C PRO 135 -0.150 93.177 19.627 1.00 0.00 ATOM 968 N SER 136 -1.151 92.318 19.525 1.00 0.00 ATOM 969 CA SER 136 -1.475 91.462 20.636 1.00 0.00 ATOM 970 CB SER 136 -2.818 90.778 20.408 1.00 0.00 ATOM 971 OG SER 136 -2.768 89.975 19.269 1.00 0.00 ATOM 972 O SER 136 0.369 90.048 19.912 1.00 0.00 ATOM 973 C SER 136 -0.379 90.410 20.864 1.00 0.00 ATOM 974 N PRO 137 -0.280 89.912 22.129 1.00 0.00 ATOM 975 CA PRO 137 0.646 88.803 22.325 1.00 0.00 ATOM 976 CB PRO 137 0.339 88.325 23.755 1.00 0.00 ATOM 977 CG PRO 137 -0.030 89.595 24.476 1.00 0.00 ATOM 978 CD PRO 137 -0.953 90.282 23.402 1.00 0.00 ATOM 979 O PRO 137 1.352 87.111 20.858 1.00 0.00 ATOM 980 C PRO 137 0.391 87.682 21.335 1.00 0.00 ATOM 981 N GLN 138 -0.877 87.381 21.003 1.00 0.00 ATOM 982 CA GLN 138 -1.132 86.242 20.151 1.00 0.00 ATOM 983 CB GLN 138 -2.615 85.822 20.161 1.00 0.00 ATOM 984 CG GLN 138 -3.161 85.464 21.596 1.00 0.00 ATOM 985 CD GLN 138 -3.639 86.696 22.378 1.00 0.00 ATOM 986 OE1 GLN 138 -3.149 87.800 22.168 1.00 0.00 ATOM 987 NE2 GLN 138 -4.607 86.497 23.293 1.00 0.00 ATOM 988 O GLN 138 0.047 85.549 18.145 1.00 0.00 ATOM 989 C GLN 138 -0.603 86.448 18.719 1.00 0.00 ATOM 990 N TYR 139 -0.852 87.628 18.178 1.00 0.00 ATOM 991 CA TYR 139 -0.411 87.986 16.828 1.00 0.00 ATOM 992 CB TYR 139 -0.884 89.391 16.498 1.00 0.00 ATOM 993 CG TYR 139 -0.719 89.778 15.049 1.00 0.00 ATOM 994 CD1 TYR 139 -1.328 89.029 14.020 1.00 0.00 ATOM 995 CD2 TYR 139 -0.028 90.931 14.706 1.00 0.00 ATOM 996 CE1 TYR 139 -1.225 89.419 12.660 1.00 0.00 ATOM 997 CE2 TYR 139 0.093 91.331 13.356 1.00 0.00 ATOM 998 CZ TYR 139 -0.523 90.587 12.367 1.00 0.00 ATOM 999 OH TYR 139 -0.346 90.961 11.082 1.00 0.00 ATOM 1000 O TYR 139 1.705 87.319 15.940 1.00 0.00 ATOM 1001 C TYR 139 1.099 87.948 16.817 1.00 0.00 ATOM 1002 N LYS 140 1.719 88.560 17.831 1.00 0.00 ATOM 1003 CA LYS 140 3.163 88.448 17.930 1.00 0.00 ATOM 1004 CB LYS 140 3.724 89.263 19.123 1.00 0.00 ATOM 1005 CG LYS 140 5.238 89.042 19.317 1.00 0.00 ATOM 1006 CD LYS 140 5.847 90.042 20.346 1.00 0.00 ATOM 1007 CE LYS 140 7.212 89.501 20.833 1.00 0.00 ATOM 1008 NZ LYS 140 7.775 90.318 21.947 1.00 0.00 ATOM 1009 O LYS 140 4.691 86.717 17.282 1.00 0.00 ATOM 1010 C LYS 140 3.682 87.005 17.945 1.00 0.00 ATOM 1011 N LYS 141 3.028 86.095 18.706 1.00 0.00 ATOM 1012 CA LYS 141 3.520 84.703 18.816 1.00 0.00 ATOM 1013 CB LYS 141 2.729 83.830 19.808 1.00 0.00 ATOM 1014 CG LYS 141 2.811 84.268 21.260 1.00 0.00 ATOM 1015 CD LYS 141 2.363 83.129 22.239 1.00 0.00 ATOM 1016 CE LYS 141 2.491 83.569 23.721 1.00 0.00 ATOM 1017 NZ LYS 141 1.742 84.859 24.034 1.00 0.00 ATOM 1018 O LYS 141 4.385 83.267 17.121 1.00 0.00 ATOM 1019 C LYS 141 3.470 84.015 17.473 1.00 0.00 ATOM 1020 N ILE 142 2.396 84.251 16.730 1.00 0.00 ATOM 1021 CA ILE 142 2.238 83.581 15.423 1.00 0.00 ATOM 1022 CB ILE 142 0.843 83.831 14.866 1.00 0.00 ATOM 1023 CG1 ILE 142 -0.238 83.021 15.630 1.00 0.00 ATOM 1024 CG2 ILE 142 0.784 83.639 13.323 1.00 0.00 ATOM 1025 CD1 ILE 142 -0.032 81.509 15.697 1.00 0.00 ATOM 1026 O ILE 142 3.910 83.242 13.710 1.00 0.00 ATOM 1027 C ILE 142 3.338 84.034 14.465 1.00 0.00 ATOM 1028 N ILE 143 3.595 85.342 14.466 1.00 0.00 ATOM 1029 CA ILE 143 4.662 85.933 13.659 1.00 0.00 ATOM 1030 CB ILE 143 4.646 87.506 13.852 1.00 0.00 ATOM 1031 CG1 ILE 143 3.422 88.075 13.140 1.00 0.00 ATOM 1032 CG2 ILE 143 5.910 88.141 13.280 1.00 0.00 ATOM 1033 CD1 ILE 143 3.258 89.634 13.280 1.00 0.00 ATOM 1034 O ILE 143 6.805 84.872 13.114 1.00 0.00 ATOM 1035 C ILE 143 6.052 85.326 13.991 1.00 0.00 ATOM 1036 N CYS 144 6.385 85.336 15.277 1.00 0.00 ATOM 1037 CA CYS 144 7.642 84.754 15.761 1.00 0.00 ATOM 1038 CB CYS 144 7.751 84.999 17.260 1.00 0.00 ATOM 1039 SG CYS 144 8.071 86.779 17.551 1.00 0.00 ATOM 1040 O CYS 144 8.776 82.795 14.987 1.00 0.00 ATOM 1041 C CYS 144 7.733 83.265 15.434 1.00 0.00 ATOM 1042 N MET 145 6.637 82.544 15.626 1.00 0.00 ATOM 1043 CA MET 145 6.569 81.121 15.266 1.00 0.00 ATOM 1044 CB MET 145 5.190 80.588 15.620 1.00 0.00 ATOM 1045 CG MET 145 4.980 80.363 17.104 1.00 0.00 ATOM 1046 SD MET 145 3.216 79.669 17.511 1.00 0.00 ATOM 1047 CE MET 145 3.467 77.901 16.792 1.00 0.00 ATOM 1048 O MET 145 7.611 80.030 13.389 1.00 0.00 ATOM 1049 C MET 145 6.852 80.907 13.768 1.00 0.00 ATOM 1050 N GLY 146 6.273 81.757 12.908 1.00 0.00 ATOM 1051 CA GLY 146 6.494 81.629 11.481 1.00 0.00 ATOM 1052 O GLY 146 8.559 81.159 10.340 1.00 0.00 ATOM 1053 C GLY 146 7.928 81.921 11.103 1.00 0.00 ATOM 1054 N ALA 147 8.459 83.010 11.650 1.00 0.00 ATOM 1055 CA ALA 147 9.839 83.398 11.397 1.00 0.00 ATOM 1056 CB ALA 147 10.164 84.684 12.200 1.00 0.00 ATOM 1057 O ALA 147 11.800 82.028 11.004 1.00 0.00 ATOM 1058 C ALA 147 10.835 82.284 11.752 1.00 0.00 ATOM 1059 N LYS 148 10.619 81.649 12.905 1.00 0.00 ATOM 1060 CA LYS 148 11.444 80.493 13.340 1.00 0.00 ATOM 1061 CB LYS 148 11.053 80.042 14.755 1.00 0.00 ATOM 1062 CG LYS 148 12.090 79.110 15.379 1.00 0.00 ATOM 1063 CD LYS 148 11.711 78.819 16.803 1.00 0.00 ATOM 1064 CE LYS 148 12.878 78.206 17.577 1.00 0.00 ATOM 1065 NZ LYS 148 13.102 76.786 17.201 1.00 0.00 ATOM 1066 O LYS 148 12.262 78.730 11.930 1.00 0.00 ATOM 1067 C LYS 148 11.290 79.290 12.425 1.00 0.00 ATOM 1068 N GLU 149 10.035 78.895 12.242 1.00 0.00 ATOM 1069 CA GLU 149 9.656 77.814 11.378 1.00 0.00 ATOM 1070 CB GLU 149 8.142 77.814 11.220 1.00 0.00 ATOM 1071 CG GLU 149 7.643 76.575 10.507 1.00 0.00 ATOM 1072 CD GLU 149 6.158 76.601 10.333 1.00 0.00 ATOM 1073 OE1 GLU 149 5.675 77.472 9.575 1.00 0.00 ATOM 1074 OE2 GLU 149 5.478 75.749 10.953 1.00 0.00 ATOM 1075 O GLU 149 10.769 76.834 9.458 1.00 0.00 ATOM 1076 C GLU 149 10.280 77.859 9.991 1.00 0.00 ATOM 1077 N ASN 150 10.251 79.032 9.387 1.00 0.00 ATOM 1078 CA ASN 150 10.648 79.121 7.994 1.00 0.00 ATOM 1079 CB ASN 150 9.570 79.851 7.138 1.00 0.00 ATOM 1080 CG ASN 150 8.430 78.928 6.799 1.00 0.00 ATOM 1081 ND2 ASN 150 7.167 79.368 6.998 1.00 0.00 ATOM 1082 OD1 ASN 150 8.680 77.788 6.421 1.00 0.00 ATOM 1083 O ASN 150 12.490 79.915 6.716 1.00 0.00 ATOM 1084 C ASN 150 12.035 79.641 7.833 1.00 0.00 ATOM 1085 N GLY 151 12.728 79.775 8.959 1.00 0.00 ATOM 1086 CA GLY 151 14.158 80.065 8.928 1.00 0.00 ATOM 1087 O GLY 151 15.516 81.602 7.711 1.00 0.00 ATOM 1088 C GLY 151 14.555 81.454 8.438 1.00 0.00 ATOM 1089 N LEU 152 13.849 82.488 8.883 1.00 0.00 ATOM 1090 CA LEU 152 14.251 83.830 8.616 1.00 0.00 ATOM 1091 CB LEU 152 13.185 84.831 9.120 1.00 0.00 ATOM 1092 CG LEU 152 12.181 85.334 8.079 1.00 0.00 ATOM 1093 CD1 LEU 152 11.466 84.198 7.342 1.00 0.00 ATOM 1094 CD2 LEU 152 11.169 86.250 8.743 1.00 0.00 ATOM 1095 O LEU 152 15.803 83.259 10.330 1.00 0.00 ATOM 1096 C LEU 152 15.574 83.991 9.387 1.00 0.00 ATOM 1097 N PRO 153 16.442 84.924 8.976 1.00 0.00 ATOM 1098 CA PRO 153 17.731 85.078 9.677 1.00 0.00 ATOM 1099 CB PRO 153 18.310 86.372 9.070 1.00 0.00 ATOM 1100 CG PRO 153 17.729 86.395 7.680 1.00 0.00 ATOM 1101 CD PRO 153 16.317 85.865 7.853 1.00 0.00 ATOM 1102 O PRO 153 16.560 85.882 11.616 1.00 0.00 ATOM 1103 C PRO 153 17.547 85.277 11.181 1.00 0.00 ATOM 1104 N LEU 154 18.528 84.827 11.955 1.00 0.00 ATOM 1105 CA LEU 154 18.449 84.875 13.415 1.00 0.00 ATOM 1106 CB LEU 154 19.640 84.158 14.055 1.00 0.00 ATOM 1107 CG LEU 154 19.581 82.623 13.881 1.00 0.00 ATOM 1108 CD1 LEU 154 20.694 81.975 14.691 1.00 0.00 ATOM 1109 CD2 LEU 154 18.248 81.985 14.240 1.00 0.00 ATOM 1110 O LEU 154 17.518 86.495 14.885 1.00 0.00 ATOM 1111 C LEU 154 18.324 86.262 13.969 1.00 0.00 ATOM 1112 N GLU 155 19.095 87.184 13.392 1.00 0.00 ATOM 1113 CA GLU 155 19.102 88.591 13.804 1.00 0.00 ATOM 1114 CB GLU 155 20.149 89.384 13.008 1.00 0.00 ATOM 1115 CG GLU 155 20.152 90.860 13.347 1.00 0.00 ATOM 1116 CD GLU 155 21.111 91.741 12.508 1.00 0.00 ATOM 1117 OE1 GLU 155 22.158 91.242 11.998 1.00 0.00 ATOM 1118 OE2 GLU 155 20.810 92.963 12.400 1.00 0.00 ATOM 1119 O GLU 155 17.363 90.149 14.329 1.00 0.00 ATOM 1120 C GLU 155 17.738 89.255 13.589 1.00 0.00 ATOM 1121 N TYR 156 17.047 88.879 12.519 1.00 0.00 ATOM 1122 CA TYR 156 15.716 89.425 12.265 1.00 0.00 ATOM 1123 CB TYR 156 15.261 89.193 10.812 1.00 0.00 ATOM 1124 CG TYR 156 13.990 89.978 10.493 1.00 0.00 ATOM 1125 CD1 TYR 156 14.038 91.369 10.216 1.00 0.00 ATOM 1126 CD2 TYR 156 12.760 89.341 10.478 1.00 0.00 ATOM 1127 CE1 TYR 156 12.873 92.084 9.943 1.00 0.00 ATOM 1128 CE2 TYR 156 11.600 90.025 10.170 1.00 0.00 ATOM 1129 CZ TYR 156 11.647 91.383 9.925 1.00 0.00 ATOM 1130 OH TYR 156 10.469 92.027 9.631 1.00 0.00 ATOM 1131 O TYR 156 13.857 89.575 13.755 1.00 0.00 ATOM 1132 C TYR 156 14.721 88.850 13.247 1.00 0.00 ATOM 1133 N GLN 157 14.861 87.571 13.552 1.00 0.00 ATOM 1134 CA GLN 157 14.006 86.933 14.535 1.00 0.00 ATOM 1135 CB GLN 157 14.308 85.449 14.650 1.00 0.00 ATOM 1136 CG GLN 157 13.970 84.611 13.398 1.00 0.00 ATOM 1137 CD GLN 157 14.122 83.131 13.683 1.00 0.00 ATOM 1138 OE1 GLN 157 13.550 82.630 14.635 1.00 0.00 ATOM 1139 NE2 GLN 157 14.877 82.428 12.857 1.00 0.00 ATOM 1140 O GLN 157 13.203 87.756 16.614 1.00 0.00 ATOM 1141 C GLN 157 14.172 87.594 15.885 1.00 0.00 ATOM 1142 N GLU 158 15.392 87.998 16.220 1.00 0.00 ATOM 1143 CA GLU 158 15.610 88.698 17.495 1.00 0.00 ATOM 1144 CB GLU 158 17.100 88.959 17.775 1.00 0.00 ATOM 1145 CG GLU 158 17.836 87.683 18.209 1.00 0.00 ATOM 1146 CD GLU 158 17.180 87.060 19.418 1.00 0.00 ATOM 1147 OE1 GLU 158 16.802 87.826 20.335 1.00 0.00 ATOM 1148 OE2 GLU 158 17.006 85.821 19.443 1.00 0.00 ATOM 1149 O GLU 158 14.321 90.382 18.517 1.00 0.00 ATOM 1150 C GLU 158 14.866 90.001 17.494 1.00 0.00 ATOM 1151 N LYS 159 14.854 90.675 16.338 1.00 0.00 ATOM 1152 CA LYS 159 14.106 91.883 16.161 1.00 0.00 ATOM 1153 CB LYS 159 14.434 92.511 14.819 1.00 0.00 ATOM 1154 CG LYS 159 15.882 92.969 14.699 1.00 0.00 ATOM 1155 CD LYS 159 16.120 93.959 13.542 1.00 0.00 ATOM 1156 CE LYS 159 15.413 95.319 13.761 1.00 0.00 ATOM 1157 NZ LYS 159 15.757 96.324 12.682 1.00 0.00 ATOM 1158 O LYS 159 11.974 92.475 17.070 1.00 0.00 ATOM 1159 C LYS 159 12.592 91.678 16.366 1.00 0.00 ATOM 1160 N LEU 160 12.009 90.613 15.791 1.00 0.00 ATOM 1161 CA LEU 160 10.592 90.311 16.015 1.00 0.00 ATOM 1162 CB LEU 160 10.152 89.124 15.138 1.00 0.00 ATOM 1163 CG LEU 160 10.251 89.355 13.627 1.00 0.00 ATOM 1164 CD1 LEU 160 10.082 88.048 12.850 1.00 0.00 ATOM 1165 CD2 LEU 160 9.240 90.431 13.195 1.00 0.00 ATOM 1166 O LEU 160 9.261 90.409 18.060 1.00 0.00 ATOM 1167 C LEU 160 10.285 89.987 17.501 1.00 0.00 ATOM 1168 N LYS 161 11.162 89.206 18.128 1.00 0.00 ATOM 1169 CA LYS 161 10.953 88.779 19.532 1.00 0.00 ATOM 1170 CB LYS 161 12.014 87.742 19.941 1.00 0.00 ATOM 1171 CG LYS 161 11.922 86.451 19.167 1.00 0.00 ATOM 1172 CD LYS 161 13.218 85.618 19.296 1.00 0.00 ATOM 1173 CE LYS 161 13.098 84.528 20.349 1.00 0.00 ATOM 1174 NZ LYS 161 14.444 83.875 20.465 1.00 0.00 ATOM 1175 O LYS 161 10.444 89.894 21.608 1.00 0.00 ATOM 1176 C LYS 161 11.010 89.968 20.496 1.00 0.00 ATOM 1177 N ALA 162 11.668 91.048 20.057 1.00 0.00 ATOM 1178 CA ALA 162 11.848 92.282 20.853 1.00 0.00 ATOM 1179 CB ALA 162 13.140 93.009 20.444 1.00 0.00 ATOM 1180 O ALA 162 10.663 94.288 21.466 1.00 0.00 ATOM 1181 C ALA 162 10.673 93.249 20.780 1.00 0.00 ATOM 1182 N ILE 163 9.666 92.914 19.977 1.00 0.00 ATOM 1183 CA ILE 163 8.545 93.809 19.810 1.00 0.00 ATOM 1184 CB ILE 163 7.615 93.342 18.652 1.00 0.00 ATOM 1185 CG1 ILE 163 8.379 93.338 17.329 1.00 0.00 ATOM 1186 CG2 ILE 163 6.316 94.285 18.589 1.00 0.00 ATOM 1187 CD1 ILE 163 7.639 92.672 16.158 1.00 0.00 ATOM 1188 O ILE 163 7.445 92.819 21.692 1.00 0.00 ATOM 1189 C ILE 163 7.726 93.861 21.103 1.00 0.00 ATOM 1190 N GLU 164 7.309 95.053 21.535 1.00 0.00 ATOM 1191 CA GLU 164 6.475 95.120 22.736 1.00 0.00 ATOM 1192 CB GLU 164 6.717 96.430 23.495 1.00 0.00 ATOM 1193 CG GLU 164 8.118 96.496 24.172 1.00 0.00 ATOM 1194 CD GLU 164 8.491 97.896 24.714 1.00 0.00 ATOM 1195 OE1 GLU 164 7.660 98.837 24.660 1.00 0.00 ATOM 1196 OE2 GLU 164 9.637 98.056 25.190 1.00 0.00 ATOM 1197 O GLU 164 4.522 95.828 21.560 1.00 0.00 ATOM 1198 C GLU 164 5.012 94.991 22.316 1.00 0.00 ATOM 1199 N PRO 165 4.313 93.954 22.809 1.00 0.00 ATOM 1200 CA PRO 165 2.942 93.740 22.463 1.00 0.00 ATOM 1201 CB PRO 165 2.753 92.232 22.736 1.00 0.00 ATOM 1202 CG PRO 165 3.625 91.958 23.872 1.00 0.00 ATOM 1203 CD PRO 165 4.794 92.921 23.753 1.00 0.00 ATOM 1204 O PRO 165 2.560 95.180 24.356 1.00 0.00 ATOM 1205 C PRO 165 2.055 94.576 23.380 1.00 0.00 ATOM 1206 N ASN 166 0.753 94.615 23.079 1.00 0.00 ATOM 1207 CA ASN 166 -0.209 95.230 23.990 1.00 0.00 ATOM 1208 CB ASN 166 -1.449 95.723 23.239 1.00 0.00 ATOM 1209 CG ASN 166 -2.335 94.605 22.754 1.00 0.00 ATOM 1210 ND2 ASN 166 -3.202 94.915 21.791 1.00 0.00 ATOM 1211 OD1 ASN 166 -2.226 93.453 23.207 1.00 0.00 ATOM 1212 O ASN 166 0.034 93.171 25.253 1.00 0.00 ATOM 1213 C ASN 166 -0.574 94.251 25.129 1.00 0.00 ATOM 1214 N ASP 167 -1.570 94.596 25.948 1.00 0.00 ATOM 1215 CA ASP 167 -1.846 93.739 27.135 1.00 0.00 ATOM 1216 CB ASP 167 -1.840 94.551 28.445 1.00 0.00 ATOM 1217 CG ASP 167 -2.972 95.565 28.530 1.00 0.00 ATOM 1218 OD1 ASP 167 -3.582 95.936 27.495 1.00 0.00 ATOM 1219 OD2 ASP 167 -3.237 96.020 29.670 1.00 0.00 ATOM 1220 O ASP 167 -3.710 92.435 27.993 1.00 0.00 ATOM 1221 C ASP 167 -3.105 92.877 27.002 1.00 0.00 ATOM 1222 N TYR 168 -3.497 92.604 25.772 1.00 0.00 ATOM 1223 CA TYR 168 -4.681 91.829 25.599 1.00 0.00 ATOM 1224 CB TYR 168 -5.149 91.885 24.154 1.00 0.00 ATOM 1225 CG TYR 168 -6.368 91.076 23.931 1.00 0.00 ATOM 1226 CD1 TYR 168 -7.630 91.612 24.196 1.00 0.00 ATOM 1227 CD2 TYR 168 -6.279 89.752 23.450 1.00 0.00 ATOM 1228 CE1 TYR 168 -8.782 90.847 23.998 1.00 0.00 ATOM 1229 CE2 TYR 168 -7.425 88.993 23.256 1.00 0.00 ATOM 1230 CZ TYR 168 -8.674 89.546 23.523 1.00 0.00 ATOM 1231 OH TYR 168 -9.831 88.792 23.324 1.00 0.00 ATOM 1232 O TYR 168 -3.418 89.770 25.613 1.00 0.00 ATOM 1233 C TYR 168 -4.397 90.407 26.056 1.00 0.00 ATOM 1234 N THR 169 -5.229 89.922 26.980 1.00 0.00 ATOM 1235 CA THR 169 -5.106 88.544 27.475 1.00 0.00 ATOM 1236 CB THR 169 -4.621 88.463 28.949 1.00 0.00 ATOM 1237 CG2 THR 169 -3.273 89.179 29.129 1.00 0.00 ATOM 1238 OG1 THR 169 -5.570 89.102 29.783 1.00 0.00 ATOM 1239 O THR 169 -6.583 86.693 27.863 1.00 0.00 ATOM 1240 C THR 169 -6.426 87.799 27.338 1.00 0.00 ATOM 1241 N GLY 170 -7.366 88.393 26.606 1.00 0.00 ATOM 1242 CA GLY 170 -8.655 87.741 26.408 1.00 0.00 ATOM 1243 O GLY 170 -7.486 86.231 24.944 1.00 0.00 ATOM 1244 C GLY 170 -8.569 86.663 25.349 1.00 0.00 ATOM 1245 N LYS 171 -9.739 86.253 24.898 1.00 0.00 ATOM 1246 CA LYS 171 -9.929 85.168 23.944 1.00 0.00 ATOM 1247 CB LYS 171 -11.431 84.812 24.029 1.00 0.00 ATOM 1248 CG LYS 171 -11.763 83.344 24.085 1.00 0.00 ATOM 1249 CD LYS 171 -13.223 83.099 23.703 1.00 0.00 ATOM 1250 CE LYS 171 -13.451 81.623 23.335 1.00 0.00 ATOM 1251 NZ LYS 171 -14.595 81.467 22.390 1.00 0.00 ATOM 1252 O LYS 171 -10.034 86.641 22.059 1.00 0.00 ATOM 1253 C LYS 171 -9.560 85.598 22.499 1.00 0.00 ATOM 1254 N VAL 172 -8.694 84.852 21.788 1.00 0.00 ATOM 1255 CA VAL 172 -8.711 84.874 20.299 1.00 0.00 ATOM 1256 CB VAL 172 -7.331 85.111 19.585 1.00 0.00 ATOM 1257 CG1 VAL 172 -6.856 86.582 19.688 1.00 0.00 ATOM 1258 CG2 VAL 172 -6.287 84.126 20.051 1.00 0.00 ATOM 1259 O VAL 172 -9.783 82.705 20.451 1.00 0.00 ATOM 1260 C VAL 172 -9.372 83.613 19.709 1.00 0.00 ATOM 1261 N SER 173 -9.467 83.553 18.378 1.00 0.00 ATOM 1262 CA SER 173 -10.152 82.432 17.735 1.00 0.00 ATOM 1263 CB SER 173 -10.166 82.574 16.204 1.00 0.00 ATOM 1264 OG SER 173 -8.934 82.170 15.609 1.00 0.00 ATOM 1265 O SER 173 -8.423 80.883 18.461 1.00 0.00 ATOM 1266 C SER 173 -9.621 81.059 18.195 1.00 0.00 ATOM 1267 N GLU 174 -10.547 80.117 18.310 1.00 0.00 ATOM 1268 CA GLU 174 -10.233 78.715 18.554 1.00 0.00 ATOM 1269 CB GLU 174 -11.469 77.832 18.347 1.00 0.00 ATOM 1270 CG GLU 174 -12.424 77.758 19.534 1.00 0.00 ATOM 1271 CD GLU 174 -13.291 76.498 19.490 1.00 0.00 ATOM 1272 OE1 GLU 174 -14.143 76.366 18.562 1.00 0.00 ATOM 1273 OE2 GLU 174 -13.104 75.632 20.384 1.00 0.00 ATOM 1274 O GLU 174 -8.135 77.634 18.209 1.00 0.00 ATOM 1275 C GLU 174 -9.087 78.201 17.683 1.00 0.00 ATOM 1276 N GLU 175 -9.174 78.403 16.371 1.00 0.00 ATOM 1277 CA GLU 175 -8.110 77.949 15.457 1.00 0.00 ATOM 1278 CB GLU 175 -8.516 78.049 13.976 1.00 0.00 ATOM 1279 CG GLU 175 -8.991 79.407 13.521 1.00 0.00 ATOM 1280 CD GLU 175 -9.925 79.316 12.311 1.00 0.00 ATOM 1281 OE1 GLU 175 -9.845 78.299 11.563 1.00 0.00 ATOM 1282 OE2 GLU 175 -10.748 80.259 12.127 1.00 0.00 ATOM 1283 O GLU 175 -5.725 78.032 15.523 1.00 0.00 ATOM 1284 C GLU 175 -6.781 78.648 15.688 1.00 0.00 ATOM 1285 N ILE 176 -6.824 79.918 16.087 1.00 0.00 ATOM 1286 CA ILE 176 -5.579 80.603 16.414 1.00 0.00 ATOM 1287 CB ILE 176 -5.738 82.134 16.553 1.00 0.00 ATOM 1288 CG1 ILE 176 -6.093 82.782 15.197 1.00 0.00 ATOM 1289 CG2 ILE 176 -4.425 82.744 17.109 1.00 0.00 ATOM 1290 CD1 ILE 176 -6.571 84.283 15.288 1.00 0.00 ATOM 1291 O ILE 176 -3.788 79.714 17.747 1.00 0.00 ATOM 1292 C ILE 176 -4.976 80.010 17.696 1.00 0.00 ATOM 1293 N GLU 177 -5.819 79.838 18.714 1.00 0.00 ATOM 1294 CA GLU 177 -5.395 79.333 20.018 1.00 0.00 ATOM 1295 CB GLU 177 -6.556 79.351 21.015 1.00 0.00 ATOM 1296 CG GLU 177 -6.887 80.746 21.526 1.00 0.00 ATOM 1297 CD GLU 177 -5.744 81.413 22.329 1.00 0.00 ATOM 1298 OE1 GLU 177 -4.731 80.744 22.681 1.00 0.00 ATOM 1299 OE2 GLU 177 -5.873 82.626 22.620 1.00 0.00 ATOM 1300 O GLU 177 -3.746 77.705 20.571 1.00 0.00 ATOM 1301 C GLU 177 -4.771 77.962 19.924 1.00 0.00 ATOM 1302 N ASP 178 -5.349 77.117 19.073 1.00 0.00 ATOM 1303 CA ASP 178 -4.869 75.756 18.878 1.00 0.00 ATOM 1304 CB ASP 178 -5.802 74.969 17.939 1.00 0.00 ATOM 1305 CG ASP 178 -7.241 74.854 18.471 1.00 0.00 ATOM 1306 OD1 ASP 178 -7.471 75.099 19.684 1.00 0.00 ATOM 1307 OD2 ASP 178 -8.149 74.521 17.660 1.00 0.00 ATOM 1308 O ASP 178 -2.577 75.011 18.742 1.00 0.00 ATOM 1309 C ASP 178 -3.457 75.768 18.299 1.00 0.00 ATOM 1310 N ILE 179 -3.238 76.629 17.304 1.00 0.00 ATOM 1311 CA ILE 179 -1.905 76.751 16.699 1.00 0.00 ATOM 1312 CB ILE 179 -1.879 77.730 15.492 1.00 0.00 ATOM 1313 CG1 ILE 179 -2.642 77.121 14.304 1.00 0.00 ATOM 1314 CG2 ILE 179 -0.449 78.012 15.075 1.00 0.00 ATOM 1315 CD1 ILE 179 -2.861 78.071 13.169 1.00 0.00 ATOM 1316 O ILE 179 0.181 76.484 17.805 1.00 0.00 ATOM 1317 C ILE 179 -0.866 77.108 17.753 1.00 0.00 ATOM 1318 N ILE 180 -1.174 78.075 18.611 1.00 0.00 ATOM 1319 CA ILE 180 -0.236 78.478 19.662 1.00 0.00 ATOM 1320 CB ILE 180 -0.673 79.798 20.327 1.00 0.00 ATOM 1321 CG1 ILE 180 -0.597 80.934 19.297 1.00 0.00 ATOM 1322 CG2 ILE 180 0.168 80.130 21.571 1.00 0.00 ATOM 1323 CD1 ILE 180 -1.342 82.122 19.689 1.00 0.00 ATOM 1324 O ILE 180 1.178 76.971 20.898 1.00 0.00 ATOM 1325 C ILE 180 0.017 77.357 20.678 1.00 0.00 ATOM 1326 N LYS 181 -1.060 76.806 21.252 1.00 0.00 ATOM 1327 CA LYS 181 -0.944 75.683 22.198 1.00 0.00 ATOM 1328 CB LYS 181 -2.305 75.061 22.517 1.00 0.00 ATOM 1329 CG LYS 181 -3.297 76.028 23.190 1.00 0.00 ATOM 1330 CD LYS 181 -4.164 75.334 24.261 1.00 0.00 ATOM 1331 CE LYS 181 -5.587 75.928 24.341 1.00 0.00 ATOM 1332 NZ LYS 181 -6.526 75.340 23.308 1.00 0.00 ATOM 1333 O LYS 181 1.020 74.343 22.441 1.00 0.00 ATOM 1334 C LYS 181 0.073 74.634 21.723 1.00 0.00 ATOM 1335 N LYS 182 -0.084 74.101 20.513 1.00 0.00 ATOM 1336 CA LYS 182 0.969 73.258 19.916 1.00 0.00 ATOM 1337 CB LYS 182 0.361 72.235 18.950 1.00 0.00 ATOM 1338 CG LYS 182 -0.354 72.850 17.737 1.00 0.00 ATOM 1339 CD LYS 182 -0.787 71.789 16.721 1.00 0.00 ATOM 1340 CE LYS 182 -2.065 71.040 17.148 1.00 0.00 ATOM 1341 NZ LYS 182 -3.328 71.791 16.815 1.00 0.00 ATOM 1342 O LYS 182 2.938 74.703 19.826 1.00 0.00 ATOM 1343 C LYS 182 2.084 74.059 19.202 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1498311052.pdb -s /var/tmp/to_scwrl_1498311052.seq -o /var/tmp/from_scwrl_1498311052.pdb > /var/tmp/scwrl_1498311052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498311052.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -50.740 # GDT_score(maxd=8.000,maxw=2.900)= -53.285 # GDT_score(maxd=8.000,maxw=3.200)= -50.725 # GDT_score(maxd=8.000,maxw=3.500)= -48.193 # GDT_score(maxd=10.000,maxw=3.800)= -49.916 # GDT_score(maxd=10.000,maxw=4.000)= -48.314 # GDT_score(maxd=10.000,maxw=4.200)= -46.681 # GDT_score(maxd=12.000,maxw=4.300)= -49.246 # GDT_score(maxd=12.000,maxw=4.500)= -47.656 # GDT_score(maxd=12.000,maxw=4.700)= -46.121 # GDT_score(maxd=14.000,maxw=5.200)= -45.205 # GDT_score(maxd=14.000,maxw=5.500)= -43.106 # command:# request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1646649159.pdb -s /var/tmp/to_scwrl_1646649159.seq -o /var/tmp/from_scwrl_1646649159.pdb > /var/tmp/scwrl_1646649159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646649159.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -51.923 # GDT_score(maxd=8.000,maxw=2.900)= -53.932 # GDT_score(maxd=8.000,maxw=3.200)= -51.336 # GDT_score(maxd=8.000,maxw=3.500)= -48.755 # GDT_score(maxd=10.000,maxw=3.800)= -51.261 # GDT_score(maxd=10.000,maxw=4.000)= -49.583 # GDT_score(maxd=10.000,maxw=4.200)= -47.932 # GDT_score(maxd=12.000,maxw=4.300)= -51.664 # GDT_score(maxd=12.000,maxw=4.500)= -50.007 # GDT_score(maxd=12.000,maxw=4.700)= -48.400 # GDT_score(maxd=14.000,maxw=5.200)= -48.272 # GDT_score(maxd=14.000,maxw=5.500)= -46.030 # command:# request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1720317465.pdb -s /var/tmp/to_scwrl_1720317465.seq -o /var/tmp/from_scwrl_1720317465.pdb > /var/tmp/scwrl_1720317465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720317465.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -53.846 # GDT_score(maxd=8.000,maxw=2.900)= -54.407 # GDT_score(maxd=8.000,maxw=3.200)= -51.776 # GDT_score(maxd=8.000,maxw=3.500)= -49.303 # GDT_score(maxd=10.000,maxw=3.800)= -52.432 # GDT_score(maxd=10.000,maxw=4.000)= -50.721 # GDT_score(maxd=10.000,maxw=4.200)= -49.027 # GDT_score(maxd=12.000,maxw=4.300)= -52.667 # GDT_score(maxd=12.000,maxw=4.500)= -50.971 # GDT_score(maxd=12.000,maxw=4.700)= -49.280 # GDT_score(maxd=14.000,maxw=5.200)= -48.817 # GDT_score(maxd=14.000,maxw=5.500)= -46.477 # command:# request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_270710132.pdb -s /var/tmp/to_scwrl_270710132.seq -o /var/tmp/from_scwrl_270710132.pdb > /var/tmp/scwrl_270710132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_270710132.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -53.107 # GDT_score(maxd=8.000,maxw=2.900)= -54.692 # GDT_score(maxd=8.000,maxw=3.200)= -52.171 # GDT_score(maxd=8.000,maxw=3.500)= -49.741 # GDT_score(maxd=10.000,maxw=3.800)= -52.070 # GDT_score(maxd=10.000,maxw=4.000)= -50.507 # GDT_score(maxd=10.000,maxw=4.200)= -48.903 # GDT_score(maxd=12.000,maxw=4.300)= -52.183 # GDT_score(maxd=12.000,maxw=4.500)= -50.577 # GDT_score(maxd=12.000,maxw=4.700)= -48.935 # GDT_score(maxd=14.000,maxw=5.200)= -48.408 # GDT_score(maxd=14.000,maxw=5.500)= -46.152 # command:# request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_706139155.pdb -s /var/tmp/to_scwrl_706139155.seq -o /var/tmp/from_scwrl_706139155.pdb > /var/tmp/scwrl_706139155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706139155.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0342.try1-opt2.pdb looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -53.994 # GDT_score(maxd=8.000,maxw=2.900)= -55.983 # GDT_score(maxd=8.000,maxw=3.200)= -53.361 # GDT_score(maxd=8.000,maxw=3.500)= -50.811 # GDT_score(maxd=10.000,maxw=3.800)= -53.249 # GDT_score(maxd=10.000,maxw=4.000)= -51.599 # GDT_score(maxd=10.000,maxw=4.200)= -49.961 # GDT_score(maxd=12.000,maxw=4.300)= -53.278 # GDT_score(maxd=12.000,maxw=4.500)= -51.650 # GDT_score(maxd=12.000,maxw=4.700)= -50.026 # GDT_score(maxd=14.000,maxw=5.200)= -49.531 # GDT_score(maxd=14.000,maxw=5.500)= -47.200 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0342.try1-real.pdb for output Error: Couldn't open file T0342.try1-real.pdb for output superimposing iter= 0 total_weight= 2019.000 rmsd (weighted)= 9.637 (unweighted)= 25.927 superimposing iter= 1 total_weight= 5788.476 rmsd (weighted)= 3.934 (unweighted)= 26.010 superimposing iter= 2 total_weight= 3438.792 rmsd (weighted)= 2.205 (unweighted)= 26.097 superimposing iter= 3 total_weight= 2580.683 rmsd (weighted)= 1.515 (unweighted)= 26.129 superimposing iter= 4 total_weight= 1895.685 rmsd (weighted)= 1.253 (unweighted)= 26.137 superimposing iter= 5 total_weight= 1509.856 rmsd (weighted)= 1.171 (unweighted)= 26.143 EXPDTA T0342.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0342.try1-opt2.pdb ATOM 1 N SER A 1 18.826 76.641 -2.287 1.00 0.00 ATOM 2 CA SER A 1 18.721 76.374 -3.716 1.00 0.00 ATOM 3 CB SER A 1 19.298 74.996 -4.047 1.00 0.00 ATOM 4 OG SER A 1 18.547 73.966 -3.429 1.00 0.00 ATOM 5 O SER A 1 17.058 76.687 -5.399 1.00 0.00 ATOM 6 C SER A 1 17.285 76.581 -4.211 1.00 0.00 ATOM 7 N ALA A 2 16.322 76.545 -3.283 1.00 0.00 ATOM 8 CA ALA A 2 14.928 76.603 -3.664 1.00 0.00 ATOM 9 CB ALA A 2 14.090 76.518 -2.405 1.00 0.00 ATOM 10 O ALA A 2 13.555 77.809 -5.179 1.00 0.00 ATOM 11 C ALA A 2 14.526 77.834 -4.444 1.00 0.00 ATOM 12 N ASN A 3 15.297 78.903 -4.279 1.00 0.00 ATOM 13 CA ASN A 3 14.911 80.203 -4.813 1.00 0.00 ATOM 14 CB ASN A 3 15.865 81.291 -4.316 1.00 0.00 ATOM 15 CG ASN A 3 15.657 81.623 -2.851 1.00 0.00 ATOM 16 ND2 ASN A 3 16.674 82.208 -2.228 1.00 0.00 ATOM 17 OD1 ASN A 3 14.595 81.357 -2.290 1.00 0.00 ATOM 18 O ASN A 3 14.025 80.525 -7.023 1.00 0.00 ATOM 19 C ASN A 3 14.953 80.099 -6.333 1.00 0.00 ATOM 20 N SER A 4 16.046 79.517 -6.831 1.00 0.00 ATOM 21 CA SER A 4 16.198 79.357 -8.275 1.00 0.00 ATOM 22 CB SER A 4 17.612 78.929 -8.606 1.00 0.00 ATOM 23 OG SER A 4 18.541 79.939 -8.321 1.00 0.00 ATOM 24 O SER A 4 14.653 78.546 -9.923 1.00 0.00 ATOM 25 C SER A 4 15.195 78.335 -8.837 1.00 0.00 ATOM 26 N GLY A 5 14.941 77.262 -8.093 1.00 0.00 ATOM 27 CA GLY A 5 13.949 76.260 -8.470 1.00 0.00 ATOM 28 O GLY A 5 11.793 76.740 -9.440 1.00 0.00 ATOM 29 C GLY A 5 12.570 76.901 -8.496 1.00 0.00 ATOM 30 N CYS A 6 12.260 77.632 -7.432 1.00 0.00 ATOM 31 CA CYS A 6 11.001 78.349 -7.399 1.00 0.00 ATOM 32 CB CYS A 6 10.854 79.112 -6.070 1.00 0.00 ATOM 33 SG CYS A 6 10.495 78.000 -4.688 1.00 0.00 ATOM 34 O CYS A 6 9.821 79.475 -9.134 1.00 0.00 ATOM 35 C CYS A 6 10.885 79.365 -8.529 1.00 0.00 ATOM 36 N LYS A 7 11.948 80.117 -8.811 1.00 0.00 ATOM 37 CA LYS A 7 11.905 81.121 -9.873 1.00 0.00 ATOM 38 CB LYS A 7 13.267 81.791 -10.037 1.00 0.00 ATOM 39 CG LYS A 7 13.296 82.854 -11.129 1.00 0.00 ATOM 40 CD LYS A 7 14.658 83.523 -11.236 1.00 0.00 ATOM 41 CE LYS A 7 15.721 82.559 -11.733 1.00 0.00 ATOM 42 NZ LYS A 7 17.042 83.233 -11.891 1.00 0.00 ATOM 43 O LYS A 7 10.619 80.943 -11.922 1.00 0.00 ATOM 44 C LYS A 7 11.496 80.463 -11.196 1.00 0.00 ATOM 45 N ASP A 8 12.150 79.342 -11.494 1.00 0.00 ATOM 46 CA ASP A 8 11.936 78.724 -12.810 1.00 0.00 ATOM 47 CB ASP A 8 13.037 77.687 -13.060 1.00 0.00 ATOM 48 CG ASP A 8 14.403 78.285 -13.378 1.00 0.00 ATOM 49 OD1 ASP A 8 14.493 79.508 -13.638 1.00 0.00 ATOM 50 OD2 ASP A 8 15.371 77.498 -13.320 1.00 0.00 ATOM 51 O ASP A 8 9.873 78.337 -13.976 1.00 0.00 ATOM 52 C ASP A 8 10.518 78.202 -12.934 1.00 0.00 ATOM 53 N VAL A 9 9.969 77.582 -11.802 1.00 0.00 ATOM 54 CA VAL A 9 8.603 77.075 -11.736 1.00 0.00 ATOM 55 CB VAL A 9 8.253 76.207 -10.540 1.00 0.00 ATOM 56 CG1 VAL A 9 9.161 74.981 -10.511 1.00 0.00 ATOM 57 CG2 VAL A 9 8.414 77.018 -9.255 1.00 0.00 ATOM 58 O VAL A 9 6.536 77.996 -12.600 1.00 0.00 ATOM 59 C VAL A 9 7.539 78.154 -11.904 1.00 0.00 ATOM 60 N THR A 10 7.764 79.292 -11.253 1.00 0.00 ATOM 61 CA THR A 10 6.842 80.415 -11.399 1.00 0.00 ATOM 62 CB THR A 10 7.196 81.556 -10.428 1.00 0.00 ATOM 63 CG2 THR A 10 6.279 82.731 -10.673 1.00 0.00 ATOM 64 OG1 THR A 10 7.024 81.083 -9.092 1.00 0.00 ATOM 65 O THR A 10 5.832 81.196 -13.444 1.00 0.00 ATOM 66 C THR A 10 6.872 80.909 -12.855 1.00 0.00 ATOM 67 N GLY A 11 8.078 81.060 -13.387 1.00 0.00 ATOM 68 CA GLY A 11 8.223 81.509 -14.776 1.00 0.00 ATOM 69 O GLY A 11 6.813 80.990 -16.647 1.00 0.00 ATOM 70 C GLY A 11 7.571 80.557 -15.770 1.00 0.00 ATOM 71 N PRO A 12 7.872 79.248 -15.693 1.00 0.00 ATOM 72 CA PRO A 12 7.199 78.261 -16.511 1.00 0.00 ATOM 73 CB PRO A 12 7.794 76.954 -16.026 1.00 0.00 ATOM 74 CG PRO A 12 9.185 77.308 -15.683 1.00 0.00 ATOM 75 CD PRO A 12 9.023 78.666 -14.991 1.00 0.00 ATOM 76 O PRO A 12 4.998 78.464 -17.458 1.00 0.00 ATOM 77 C PRO A 12 5.679 78.366 -16.434 1.00 0.00 ATOM 78 N ASP A 13 5.160 78.381 -15.211 1.00 0.00 ATOM 79 CA ASP A 13 3.723 78.495 -14.982 1.00 0.00 ATOM 80 CB ASP A 13 3.333 77.731 -13.719 1.00 0.00 ATOM 81 CG ASP A 13 1.858 77.856 -13.401 1.00 0.00 ATOM 82 OD1 ASP A 13 1.409 77.242 -12.411 1.00 0.00 ATOM 83 OD2 ASP A 13 1.145 78.573 -14.136 1.00 0.00 ATOM 84 O ASP A 13 3.448 80.500 -13.723 1.00 0.00 ATOM 85 C ASP A 13 3.369 79.962 -14.823 1.00 0.00 ATOM 86 N GLU A 14 2.969 80.606 -15.911 1.00 0.00 ATOM 87 CA GLU A 14 2.637 82.030 -15.861 1.00 0.00 ATOM 88 CB GLU A 14 2.316 82.537 -17.262 1.00 0.00 ATOM 89 CG GLU A 14 3.482 82.533 -18.235 1.00 0.00 ATOM 90 CD GLU A 14 3.098 83.164 -19.563 1.00 0.00 ATOM 91 OE1 GLU A 14 2.036 83.821 -19.618 1.00 0.00 ATOM 92 OE2 GLU A 14 3.850 83.018 -20.549 1.00 0.00 ATOM 93 O GLU A 14 1.330 83.534 -14.523 1.00 0.00 ATOM 94 C GLU A 14 1.487 82.377 -14.915 1.00 0.00 ATOM 95 N GLU A 15 0.692 81.382 -14.543 1.00 0.00 ATOM 96 CA GLU A 15 -0.448 81.613 -13.664 1.00 0.00 ATOM 97 CB GLU A 15 -1.542 80.528 -14.165 1.00 0.00 ATOM 98 CG GLU A 15 -2.014 80.675 -15.602 1.00 0.00 ATOM 99 CD GLU A 15 -3.131 81.690 -15.750 1.00 0.00 ATOM 100 OE1 GLU A 15 -3.376 82.463 -14.797 1.00 0.00 ATOM 101 OE2 GLU A 15 -3.767 81.715 -16.827 1.00 0.00 ATOM 102 O GLU A 15 -0.797 82.337 -11.408 1.00 0.00 ATOM 103 C GLU A 15 -0.076 81.716 -12.187 1.00 0.00 ATOM 104 N SER A 16 1.007 81.123 -11.883 1.00 0.00 ATOM 105 CA SER A 16 1.432 81.146 -10.486 1.00 0.00 ATOM 106 CB SER A 16 2.583 80.163 -10.254 1.00 0.00 ATOM 107 OG SER A 16 3.009 80.190 -8.901 1.00 0.00 ATOM 108 O SER A 16 2.483 83.289 -10.764 1.00 0.00 ATOM 109 C SER A 16 1.886 82.527 -10.004 1.00 0.00 ATOM 110 N PHE A 17 1.576 82.816 -8.774 1.00 0.00 ATOM 111 CA PHE A 17 1.947 84.097 -8.185 1.00 0.00 ATOM 112 CB PHE A 17 1.226 85.065 -7.798 1.00 0.00 ATOM 113 CG PHE A 17 1.259 86.060 -8.928 1.00 0.00 ATOM 114 CD1 PHE A 17 2.413 86.231 -9.690 1.00 0.00 ATOM 115 CD2 PHE A 17 0.147 86.842 -9.217 1.00 0.00 ATOM 116 CE1 PHE A 17 2.456 87.166 -10.727 1.00 0.00 ATOM 117 CE2 PHE A 17 0.177 87.782 -10.252 1.00 0.00 ATOM 118 CZ PHE A 17 1.335 87.942 -11.007 1.00 0.00 ATOM 119 O PHE A 17 2.928 82.808 -6.423 1.00 0.00 ATOM 120 C PHE A 17 2.849 83.912 -6.995 1.00 0.00 ATOM 121 N LEU A 18 3.545 84.963 -6.644 1.00 0.00 ATOM 122 CA LEU A 18 4.388 84.984 -5.480 1.00 0.00 ATOM 123 CB LEU A 18 5.864 84.956 -5.886 1.00 0.00 ATOM 124 CG LEU A 18 6.882 85.040 -4.746 1.00 0.00 ATOM 125 CD1 LEU A 18 6.823 83.790 -3.882 1.00 0.00 ATOM 126 CD2 LEU A 18 8.293 85.172 -5.295 1.00 0.00 ATOM 127 O LEU A 18 4.042 87.338 -5.178 1.00 0.00 ATOM 128 C LEU A 18 4.088 86.225 -4.650 1.00 0.00 ATOM 129 N TYR A 19 3.902 86.009 -3.369 1.00 0.00 ATOM 130 CA TYR A 19 3.596 87.091 -2.437 1.00 0.00 ATOM 131 CB TYR A 19 2.182 86.915 -1.858 1.00 0.00 ATOM 132 CG TYR A 19 1.039 87.354 -2.738 1.00 0.00 ATOM 133 CD1 TYR A 19 0.184 86.415 -3.305 1.00 0.00 ATOM 134 CD2 TYR A 19 0.791 88.708 -2.977 1.00 0.00 ATOM 135 CE1 TYR A 19 -0.895 86.805 -4.087 1.00 0.00 ATOM 136 CE2 TYR A 19 -0.286 89.111 -3.763 1.00 0.00 ATOM 137 CZ TYR A 19 -1.123 88.152 -4.311 1.00 0.00 ATOM 138 OH TYR A 19 -2.191 88.529 -5.088 1.00 0.00 ATOM 139 O TYR A 19 4.831 85.968 -0.728 1.00 0.00 ATOM 140 C TYR A 19 4.491 87.041 -1.202 1.00 0.00 ATOM 141 N PHE A 20 4.857 88.194 -0.703 1.00 0.00 ATOM 142 CA PHE A 20 5.656 88.310 0.494 1.00 0.00 ATOM 143 CB PHE A 20 6.592 89.518 0.398 1.00 0.00 ATOM 144 CG PHE A 20 7.507 89.672 1.579 1.00 0.00 ATOM 145 CD1 PHE A 20 8.622 88.865 1.718 1.00 0.00 ATOM 146 CD2 PHE A 20 7.252 90.623 2.551 1.00 0.00 ATOM 147 CE1 PHE A 20 9.464 89.005 2.804 1.00 0.00 ATOM 148 CE2 PHE A 20 8.094 90.764 3.637 1.00 0.00 ATOM 149 CZ PHE A 20 9.196 89.960 3.768 1.00 0.00 ATOM 150 O PHE A 20 3.883 89.412 1.680 1.00 0.00 ATOM 151 C PHE A 20 4.705 88.484 1.666 1.00 0.00 ATOM 152 N ALA A 21 4.806 87.604 2.629 1.00 0.00 ATOM 153 CA ALA A 21 3.908 87.609 3.756 1.00 0.00 ATOM 154 CB ALA A 21 3.514 86.148 4.122 1.00 0.00 ATOM 155 O ALA A 21 5.724 88.517 5.035 1.00 0.00 ATOM 156 C ALA A 21 4.502 88.303 4.958 1.00 0.00 ATOM 157 N TYR A 22 3.645 88.687 5.873 1.00 0.00 ATOM 158 CA TYR A 22 4.055 89.501 6.981 1.00 0.00 ATOM 159 CB TYR A 22 3.787 90.979 6.688 1.00 0.00 ATOM 160 CG TYR A 22 2.356 91.276 6.304 1.00 0.00 ATOM 161 CD1 TYR A 22 1.436 91.697 7.256 1.00 0.00 ATOM 162 CD2 TYR A 22 1.928 91.136 4.989 1.00 0.00 ATOM 163 CE1 TYR A 22 0.125 91.972 6.913 1.00 0.00 ATOM 164 CE2 TYR A 22 0.622 91.408 4.629 1.00 0.00 ATOM 165 CZ TYR A 22 -0.280 91.827 5.604 1.00 0.00 ATOM 166 OH TYR A 22 -1.584 92.101 5.261 1.00 0.00 ATOM 167 O TYR A 22 3.944 88.787 9.274 1.00 0.00 ATOM 168 C TYR A 22 3.320 89.163 8.290 1.00 0.00 ATOM 169 N GLY A 23 2.013 89.285 8.292 1.00 0.00 ATOM 170 CA GLY A 23 1.275 89.070 9.504 1.00 0.00 ATOM 171 O GLY A 23 1.270 86.710 9.797 1.00 0.00 ATOM 172 C GLY A 23 0.614 87.724 9.567 1.00 0.00 ATOM 173 N SER A 24 -0.671 87.720 9.307 1.00 0.00 ATOM 174 CA SER A 24 -1.518 86.552 9.441 1.00 0.00 ATOM 175 CB SER A 24 -2.957 86.886 9.042 1.00 0.00 ATOM 176 OG SER A 24 -3.535 87.813 9.943 1.00 0.00 ATOM 177 O SER A 24 -1.349 84.263 8.896 1.00 0.00 ATOM 178 C SER A 24 -1.071 85.410 8.554 1.00 0.00 ATOM 179 N ASN A 25 -0.468 85.679 7.410 1.00 0.00 ATOM 180 CA ASN A 25 -0.147 84.629 6.447 1.00 0.00 ATOM 181 CB ASN A 25 -0.381 85.083 5.006 1.00 0.00 ATOM 182 CG ASN A 25 -1.854 85.240 4.675 1.00 0.00 ATOM 183 ND2 ASN A 25 -2.272 86.471 4.407 1.00 0.00 ATOM 184 OD1 ASN A 25 -2.603 84.263 4.664 1.00 0.00 ATOM 185 O ASN A 25 1.770 83.393 5.706 1.00 0.00 ATOM 186 C ASN A 25 1.304 84.185 6.542 1.00 0.00 ATOM 187 N LEU A 26 2.339 84.860 7.597 1.00 0.00 ATOM 188 CA LEU A 26 3.692 84.401 7.820 1.00 0.00 ATOM 189 CB LEU A 26 4.323 85.491 8.844 1.00 0.00 ATOM 190 CG LEU A 26 5.622 85.037 9.521 1.00 0.00 ATOM 191 CD1 LEU A 26 6.730 84.917 8.464 1.00 0.00 ATOM 192 CD2 LEU A 26 6.022 86.025 10.591 1.00 0.00 ATOM 193 O LEU A 26 4.825 82.306 7.986 1.00 0.00 ATOM 194 C LEU A 26 3.772 82.926 8.147 1.00 0.00 ATOM 195 N LEU A 27 2.626 82.367 8.622 1.00 0.00 ATOM 196 CA LEU A 27 2.579 80.979 9.056 1.00 0.00 ATOM 197 CB LEU A 27 1.713 80.948 10.318 1.00 0.00 ATOM 198 CG LEU A 27 2.195 81.801 11.492 1.00 0.00 ATOM 199 CD1 LEU A 27 1.180 81.782 12.624 1.00 0.00 ATOM 200 CD2 LEU A 27 3.517 81.274 12.031 1.00 0.00 ATOM 201 O LEU A 27 0.907 80.336 7.496 1.00 0.00 ATOM 202 C LEU A 27 1.962 80.050 8.015 1.00 0.00 ATOM 203 N THR A 28 2.617 78.925 7.688 1.00 0.00 ATOM 204 CA THR A 28 2.114 77.997 6.668 1.00 0.00 ATOM 205 CB THR A 28 3.293 77.042 6.215 1.00 0.00 ATOM 206 CG2 THR A 28 2.821 76.037 5.131 1.00 0.00 ATOM 207 OG1 THR A 28 4.321 77.785 5.565 1.00 0.00 ATOM 208 O THR A 28 0.027 76.864 6.264 1.00 0.00 ATOM 209 C THR A 28 0.840 77.253 7.098 1.00 0.00 ATOM 210 N GLU A 29 0.649 77.080 8.385 1.00 0.00 ATOM 211 CA GLU A 29 -0.528 76.374 8.867 1.00 0.00 ATOM 212 CB GLU A 29 -0.441 76.163 10.380 1.00 0.00 ATOM 213 CG GLU A 29 0.626 75.167 10.808 1.00 0.00 ATOM 214 CD GLU A 29 0.766 75.077 12.314 1.00 0.00 ATOM 215 OE1 GLU A 29 0.082 75.844 13.023 1.00 0.00 ATOM 216 OE2 GLU A 29 1.562 74.238 12.787 1.00 0.00 ATOM 217 O GLU A 29 -2.771 76.583 8.081 1.00 0.00 ATOM 218 C GLU A 29 -1.783 77.150 8.555 1.00 0.00 ATOM 219 N ARG A 30 -1.736 78.454 8.767 1.00 0.00 ATOM 220 CA ARG A 30 -2.881 79.288 8.469 1.00 0.00 ATOM 221 CB ARG A 30 -2.646 80.716 8.966 1.00 0.00 ATOM 222 CG ARG A 30 -2.658 80.856 10.479 1.00 0.00 ATOM 223 CD ARG A 30 -2.335 82.280 10.904 1.00 0.00 ATOM 224 NE ARG A 30 -2.333 82.429 12.358 1.00 0.00 ATOM 225 CZ ARG A 30 -1.957 83.534 12.994 1.00 0.00 ATOM 226 NH1 ARG A 30 -1.988 83.578 14.319 1.00 0.00 ATOM 227 NH2 ARG A 30 -1.553 84.591 12.304 1.00 0.00 ATOM 228 O ARG A 30 -4.235 79.538 6.504 1.00 0.00 ATOM 229 C ARG A 30 -3.117 79.338 6.959 1.00 0.00 ATOM 230 N ILE A 31 -2.048 79.146 6.187 1.00 0.00 ATOM 231 CA ILE A 31 -2.130 79.166 4.751 1.00 0.00 ATOM 232 CB ILE A 31 -0.778 79.110 4.069 1.00 0.00 ATOM 233 CG1 ILE A 31 0.048 80.314 4.527 1.00 0.00 ATOM 234 CG2 ILE A 31 -0.938 79.115 2.555 1.00 0.00 ATOM 235 CD1 ILE A 31 -0.677 81.654 4.397 1.00 0.00 ATOM 236 O ILE A 31 -3.828 78.031 3.450 1.00 0.00 ATOM 237 C ILE A 31 -2.894 77.941 4.245 1.00 0.00 ATOM 238 N HIS A 32 -2.584 76.733 4.772 1.00 0.00 ATOM 239 CA HIS A 32 -3.297 75.524 4.405 1.00 0.00 ATOM 240 CB HIS A 32 -2.754 74.331 5.196 1.00 0.00 ATOM 241 CG HIS A 32 -1.399 73.877 4.750 1.00 0.00 ATOM 242 CD2 HIS A 32 -0.076 73.808 5.354 1.00 0.00 ATOM 243 ND1 HIS A 32 -1.161 73.372 3.490 1.00 0.00 ATOM 244 CE1 HIS A 32 0.141 73.052 3.386 1.00 0.00 ATOM 245 NE2 HIS A 32 0.798 73.311 4.500 1.00 0.00 ATOM 246 O HIS A 32 -5.621 75.139 3.977 1.00 0.00 ATOM 247 C HIS A 32 -4.779 75.648 4.710 1.00 0.00 ATOM 248 N LEU A 33 -5.095 76.341 5.769 1.00 0.00 ATOM 249 CA LEU A 33 -6.475 76.487 6.172 1.00 0.00 ATOM 250 CB LEU A 33 -6.566 76.845 7.657 1.00 0.00 ATOM 251 CG LEU A 33 -6.095 75.775 8.642 1.00 0.00 ATOM 252 CD1 LEU A 33 -6.095 76.315 10.064 1.00 0.00 ATOM 253 CD2 LEU A 33 -7.011 74.561 8.596 1.00 0.00 ATOM 254 O LEU A 33 -8.228 77.488 4.893 1.00 0.00 ATOM 255 C LEU A 33 -7.094 77.613 5.383 1.00 0.00 ATOM 256 N ARG A 34 -6.478 78.861 5.231 1.00 0.00 ATOM 257 CA ARG A 34 -7.053 80.002 4.485 1.00 0.00 ATOM 258 CB ARG A 34 -6.148 81.211 4.523 1.00 0.00 ATOM 259 CG ARG A 34 -6.107 81.844 5.876 1.00 0.00 ATOM 260 CD ARG A 34 -5.449 83.226 5.853 1.00 0.00 ATOM 261 NE ARG A 34 -5.640 83.912 7.128 1.00 0.00 ATOM 262 CZ ARG A 34 -4.826 83.818 8.179 1.00 0.00 ATOM 263 NH1 ARG A 34 -3.712 83.095 8.121 1.00 0.00 ATOM 264 NH2 ARG A 34 -5.119 84.456 9.300 1.00 0.00 ATOM 265 O ARG A 34 -8.325 80.102 2.448 1.00 0.00 ATOM 266 C ARG A 34 -7.322 79.665 3.017 1.00 0.00 ATOM 267 N ASN A 35 -6.474 78.921 2.412 1.00 0.00 ATOM 268 CA ASN A 35 -6.669 78.504 1.025 1.00 0.00 ATOM 269 CB ASN A 35 -5.532 78.939 0.097 1.00 0.00 ATOM 270 CG ASN A 35 -5.456 80.444 -0.064 1.00 0.00 ATOM 271 ND2 ASN A 35 -4.365 81.035 0.411 1.00 0.00 ATOM 272 OD1 ASN A 35 -6.367 81.067 -0.610 1.00 0.00 ATOM 273 O ASN A 35 -7.897 76.467 0.819 1.00 0.00 ATOM 274 C ASN A 35 -6.781 76.996 0.934 1.00 0.00 ATOM 275 N PRO A 36 -5.795 75.793 0.936 1.00 0.00 ATOM 276 CA PRO A 36 -5.762 74.328 0.773 1.00 0.00 ATOM 277 CB PRO A 36 -5.983 74.096 -0.682 1.00 0.00 ATOM 278 CG PRO A 36 -6.904 75.248 -1.075 1.00 0.00 ATOM 279 CD PRO A 36 -6.160 76.394 -0.415 1.00 0.00 ATOM 280 O PRO A 36 -4.103 72.907 1.760 1.00 0.00 ATOM 281 C PRO A 36 -4.352 73.824 0.974 1.00 0.00 ATOM 282 N SER A 37 -3.429 74.452 0.285 1.00 0.00 ATOM 283 CA SER A 37 -2.033 74.052 0.302 1.00 0.00 ATOM 284 CB SER A 37 -1.623 73.489 -1.061 1.00 0.00 ATOM 285 OG SER A 37 -1.675 74.491 -2.062 1.00 0.00 ATOM 286 O SER A 37 -1.685 76.358 0.655 1.00 0.00 ATOM 287 C SER A 37 -1.184 75.239 0.616 1.00 0.00 ATOM 288 N ALA A 38 0.092 75.011 0.804 1.00 0.00 ATOM 289 CA ALA A 38 1.016 76.078 1.047 1.00 0.00 ATOM 290 CB ALA A 38 1.586 75.944 2.430 1.00 0.00 ATOM 291 O ALA A 38 2.447 74.987 -0.531 1.00 0.00 ATOM 292 C ALA A 38 1.961 76.051 -0.143 1.00 0.00 ATOM 293 N ALA A 39 2.223 77.257 -0.787 1.00 0.00 ATOM 294 CA ALA A 39 3.119 77.363 -1.931 1.00 0.00 ATOM 295 CB ALA A 39 3.104 78.768 -2.541 1.00 0.00 ATOM 296 O ALA A 39 4.756 77.476 -0.188 1.00 0.00 ATOM 297 C ALA A 39 4.545 77.311 -1.388 1.00 0.00 ATOM 298 N PHE A 40 5.517 76.946 -2.188 1.00 0.00 ATOM 299 CA PHE A 40 6.911 76.867 -1.747 1.00 0.00 ATOM 300 CB PHE A 40 7.824 76.486 -2.935 1.00 0.00 ATOM 301 CG PHE A 40 7.705 75.036 -3.325 1.00 0.00 ATOM 302 CD1 PHE A 40 6.543 74.571 -3.908 1.00 0.00 ATOM 303 CD2 PHE A 40 8.774 74.159 -3.085 1.00 0.00 ATOM 304 CE1 PHE A 40 6.422 73.240 -4.273 1.00 0.00 ATOM 305 CE2 PHE A 40 8.645 72.821 -3.423 1.00 0.00 ATOM 306 CZ PHE A 40 7.471 72.369 -3.986 1.00 0.00 ATOM 307 O PHE A 40 7.188 79.254 -1.787 1.00 0.00 ATOM 308 C PHE A 40 7.347 78.200 -1.161 1.00 0.00 ATOM 309 N PHE A 41 7.844 78.150 0.034 1.00 0.00 ATOM 310 CA PHE A 41 8.185 79.333 0.754 1.00 0.00 ATOM 311 CB PHE A 41 7.507 79.369 2.146 1.00 0.00 ATOM 312 CG PHE A 41 7.969 78.265 3.043 1.00 0.00 ATOM 313 CD1 PHE A 41 7.294 77.053 3.074 1.00 0.00 ATOM 314 CD2 PHE A 41 9.078 78.441 3.867 1.00 0.00 ATOM 315 CE1 PHE A 41 7.713 76.031 3.918 1.00 0.00 ATOM 316 CE2 PHE A 41 9.504 77.428 4.710 1.00 0.00 ATOM 317 CZ PHE A 41 8.817 76.221 4.738 1.00 0.00 ATOM 318 O PHE A 41 10.466 78.601 0.899 1.00 0.00 ATOM 319 C PHE A 41 9.683 79.544 0.706 1.00 0.00 ATOM 320 N CYS A 42 10.069 80.756 0.495 1.00 0.00 ATOM 321 CA CYS A 42 11.454 81.124 0.492 1.00 0.00 ATOM 322 CB CYS A 42 11.911 81.475 -0.926 1.00 0.00 ATOM 323 SG CYS A 42 11.827 80.102 -2.098 1.00 0.00 ATOM 324 O CYS A 42 10.891 83.293 1.295 1.00 0.00 ATOM 325 C CYS A 42 11.680 82.359 1.329 1.00 0.00 ATOM 326 N VAL A 43 12.775 82.357 2.087 1.00 0.00 ATOM 327 CA VAL A 43 13.148 83.517 2.859 1.00 0.00 ATOM 328 CB VAL A 43 14.256 83.179 3.881 1.00 0.00 ATOM 329 CG1 VAL A 43 14.727 84.441 4.591 1.00 0.00 ATOM 330 CG2 VAL A 43 13.737 82.165 4.891 1.00 0.00 ATOM 331 O VAL A 43 14.516 84.350 1.048 1.00 0.00 ATOM 332 C VAL A 43 13.638 84.604 1.898 1.00 0.00 ATOM 333 N ALA A 44 13.070 85.773 2.008 1.00 0.00 ATOM 334 CA ALA A 44 13.416 86.862 1.148 1.00 0.00 ATOM 335 CB ALA A 44 12.391 87.022 0.036 1.00 0.00 ATOM 336 O ALA A 44 12.874 88.294 2.987 1.00 0.00 ATOM 337 C ALA A 44 13.484 88.151 1.925 1.00 0.00 ATOM 338 N ARG A 45 14.210 89.072 1.397 1.00 0.00 ATOM 339 CA ARG A 45 14.400 90.346 2.011 1.00 0.00 ATOM 340 CB ARG A 45 15.890 90.640 2.196 1.00 0.00 ATOM 341 CG ARG A 45 16.583 89.728 3.195 1.00 0.00 ATOM 342 CD ARG A 45 18.070 90.030 3.278 1.00 0.00 ATOM 343 NE ARG A 45 18.741 89.206 4.281 1.00 0.00 ATOM 344 CZ ARG A 45 20.035 89.286 4.571 1.00 0.00 ATOM 345 NH1 ARG A 45 20.557 88.496 5.498 1.00 0.00 ATOM 346 NH2 ARG A 45 20.804 90.159 3.934 1.00 0.00 ATOM 347 O ARG A 45 14.127 91.550 -0.023 1.00 0.00 ATOM 348 C ARG A 45 13.803 91.439 1.146 1.00 0.00 ATOM 349 N LEU A 46 12.932 92.204 1.718 1.00 0.00 ATOM 350 CA LEU A 46 12.325 93.319 1.060 1.00 0.00 ATOM 351 CB LEU A 46 10.833 93.387 1.395 1.00 0.00 ATOM 352 CG LEU A 46 10.042 94.522 0.740 1.00 0.00 ATOM 353 CD1 LEU A 46 10.061 94.384 -0.774 1.00 0.00 ATOM 354 CD2 LEU A 46 8.594 94.504 1.202 1.00 0.00 ATOM 355 O LEU A 46 12.697 95.127 2.594 1.00 0.00 ATOM 356 C LEU A 46 12.984 94.627 1.509 1.00 0.00 ATOM 357 N GLN A 47 13.918 95.165 0.714 1.00 0.00 ATOM 358 CA GLN A 47 14.607 96.395 1.045 1.00 0.00 ATOM 359 CB GLN A 47 15.942 96.474 0.301 1.00 0.00 ATOM 360 CG GLN A 47 16.755 97.718 0.614 1.00 0.00 ATOM 361 CD GLN A 47 18.121 97.703 -0.040 1.00 0.00 ATOM 362 OE1 GLN A 47 18.554 96.679 -0.570 1.00 0.00 ATOM 363 NE2 GLN A 47 18.805 98.840 -0.007 1.00 0.00 ATOM 364 O GLN A 47 12.867 97.494 -0.190 1.00 0.00 ATOM 365 C GLN A 47 13.634 97.537 0.773 1.00 0.00 ATOM 366 N ASP A 48 13.721 98.567 1.730 1.00 0.00 ATOM 367 CA ASP A 48 12.851 99.733 1.578 1.00 0.00 ATOM 368 CB ASP A 48 13.580 100.519 0.283 1.00 0.00 ATOM 369 CG ASP A 48 14.992 101.052 0.531 1.00 0.00 ATOM 370 OD1 ASP A 48 15.434 101.153 1.702 1.00 0.00 ATOM 371 OD2 ASP A 48 15.663 101.409 -0.461 1.00 0.00 ATOM 372 O ASP A 48 10.623 100.539 1.858 1.00 0.00 ATOM 373 C ASP A 48 11.467 99.698 2.173 1.00 0.00 ATOM 374 N PHE A 49 11.238 98.736 3.036 1.00 0.00 ATOM 375 CA PHE A 49 9.976 98.565 3.710 1.00 0.00 ATOM 376 CB PHE A 49 9.135 97.497 3.008 1.00 0.00 ATOM 377 CG PHE A 49 8.822 97.817 1.573 1.00 0.00 ATOM 378 CD1 PHE A 49 9.633 97.350 0.554 1.00 0.00 ATOM 379 CD2 PHE A 49 7.719 98.584 1.245 1.00 0.00 ATOM 380 CE1 PHE A 49 9.346 97.646 -0.766 1.00 0.00 ATOM 381 CE2 PHE A 49 7.432 98.878 -0.075 1.00 0.00 ATOM 382 CZ PHE A 49 8.240 98.412 -1.078 1.00 0.00 ATOM 383 O PHE A 49 11.291 97.618 5.414 1.00 0.00 ATOM 384 C PHE A 49 10.229 98.132 5.111 1.00 0.00 ATOM 385 N LYS A 50 9.281 98.338 5.955 1.00 0.00 ATOM 386 CA LYS A 50 9.404 97.995 7.329 1.00 0.00 ATOM 387 CB LYS A 50 9.718 99.246 8.170 1.00 0.00 ATOM 388 CG LYS A 50 9.746 99.038 9.681 1.00 0.00 ATOM 389 CD LYS A 50 10.256 100.289 10.410 1.00 0.00 ATOM 390 CE LYS A 50 10.073 100.170 11.912 1.00 0.00 ATOM 391 NZ LYS A 50 10.460 101.421 12.640 1.00 0.00 ATOM 392 O LYS A 50 7.030 97.808 7.408 1.00 0.00 ATOM 393 C LYS A 50 8.121 97.396 7.824 1.00 0.00 ATOM 394 N LEU A 51 8.248 96.407 8.667 1.00 0.00 ATOM 395 CA LEU A 51 7.118 95.763 9.239 1.00 0.00 ATOM 396 CB LEU A 51 7.489 94.343 9.534 1.00 0.00 ATOM 397 CG LEU A 51 6.431 93.282 9.397 1.00 0.00 ATOM 398 CD1 LEU A 51 5.603 93.537 8.090 1.00 0.00 ATOM 399 CD2 LEU A 51 7.144 91.897 9.413 1.00 0.00 ATOM 400 O LEU A 51 7.927 96.295 11.393 1.00 0.00 ATOM 401 C LEU A 51 6.957 96.266 10.653 1.00 0.00 ATOM 402 N ASP A 52 5.789 96.598 10.961 1.00 0.00 ATOM 403 CA ASP A 52 5.445 96.931 12.342 1.00 0.00 ATOM 404 CB ASP A 52 4.553 98.174 12.324 1.00 0.00 ATOM 405 CG ASP A 52 5.296 99.418 11.879 1.00 0.00 ATOM 406 OD1 ASP A 52 6.538 99.359 11.761 1.00 0.00 ATOM 407 OD2 ASP A 52 4.636 100.454 11.649 1.00 0.00 ATOM 408 O ASP A 52 4.324 94.847 12.325 1.00 0.00 ATOM 409 C ASP A 52 4.722 95.789 13.007 1.00 0.00 ATOM 410 N PHE A 53 4.549 95.829 14.299 1.00 0.00 ATOM 411 CA PHE A 53 3.999 94.678 14.981 1.00 0.00 ATOM 412 CB PHE A 53 5.099 93.920 15.726 1.00 0.00 ATOM 413 CG PHE A 53 4.604 92.718 16.477 1.00 0.00 ATOM 414 CD1 PHE A 53 4.392 91.515 15.827 1.00 0.00 ATOM 415 CD2 PHE A 53 4.348 92.789 17.837 1.00 0.00 ATOM 416 CE1 PHE A 53 3.937 90.408 16.519 1.00 0.00 ATOM 417 CE2 PHE A 53 3.892 91.683 18.527 1.00 0.00 ATOM 418 CZ PHE A 53 3.687 90.497 17.875 1.00 0.00 ATOM 419 O PHE A 53 2.957 96.148 16.569 1.00 0.00 ATOM 420 C PHE A 53 2.903 95.083 15.952 1.00 0.00 ATOM 421 N GLY A 54 1.903 94.151 16.126 1.00 0.00 ATOM 422 CA GLY A 54 0.799 94.409 17.035 1.00 0.00 ATOM 423 O GLY A 54 -0.786 93.509 15.499 1.00 0.00 ATOM 424 C GLY A 54 -0.424 93.589 16.675 1.00 0.00 ATOM 425 N ASN A 55 -1.022 92.958 17.645 1.00 0.00 ATOM 426 CA ASN A 55 -2.224 92.157 17.411 1.00 0.00 ATOM 427 CB ASN A 55 -1.815 90.724 17.758 1.00 0.00 ATOM 428 CG ASN A 55 -0.694 90.208 16.877 1.00 0.00 ATOM 429 ND2 ASN A 55 0.513 90.157 17.427 1.00 0.00 ATOM 430 OD1 ASN A 55 -0.914 89.862 15.717 1.00 0.00 ATOM 431 O ASN A 55 -3.250 92.909 19.452 1.00 0.00 ATOM 432 C ASN A 55 -3.414 92.554 18.274 1.00 0.00 ATOM 433 N SER A 56 -4.579 92.536 17.678 1.00 0.00 ATOM 434 CA SER A 56 -5.799 92.900 18.396 1.00 0.00 ATOM 435 CB SER A 56 -6.710 93.777 17.492 1.00 0.00 ATOM 436 OG SER A 56 -7.974 94.023 18.120 1.00 0.00 ATOM 437 O SER A 56 -6.795 90.733 18.043 1.00 0.00 ATOM 438 C SER A 56 -6.617 91.669 18.810 1.00 0.00 ATOM 439 N GLN A 57 -7.088 91.745 20.081 1.00 0.00 ATOM 440 CA GLN A 57 -7.826 90.584 20.607 1.00 0.00 ATOM 441 CB GLN A 57 -7.549 90.407 22.101 1.00 0.00 ATOM 442 CG GLN A 57 -6.102 90.074 22.429 1.00 0.00 ATOM 443 CD GLN A 57 -5.678 88.723 21.887 1.00 0.00 ATOM 444 OE1 GLN A 57 -6.367 87.722 22.081 1.00 0.00 ATOM 445 NE2 GLN A 57 -4.539 88.692 21.204 1.00 0.00 ATOM 446 O GLN A 57 -9.843 91.675 21.126 1.00 0.00 ATOM 447 C GLN A 57 -9.300 90.911 20.349 1.00 0.00 ATOM 448 N GLY A 58 -9.873 90.310 19.322 1.00 0.00 ATOM 449 CA GLY A 58 -11.223 90.655 18.898 1.00 0.00 ATOM 450 O GLY A 58 -13.276 91.011 19.974 1.00 0.00 ATOM 451 C GLY A 58 -12.271 90.294 19.920 1.00 0.00 ATOM 452 N LYS A 59 -12.000 89.107 20.685 1.00 0.00 ATOM 453 CA LYS A 59 -12.961 88.674 21.685 1.00 0.00 ATOM 454 CB LYS A 59 -12.647 87.257 22.166 1.00 0.00 ATOM 455 CG LYS A 59 -12.817 86.186 21.099 1.00 0.00 ATOM 456 CD LYS A 59 -12.477 84.808 21.641 1.00 0.00 ATOM 457 CE LYS A 59 -12.673 83.735 20.581 1.00 0.00 ATOM 458 NZ LYS A 59 -12.363 82.375 21.104 1.00 0.00 ATOM 459 O LYS A 59 -13.957 89.609 23.637 1.00 0.00 ATOM 460 C LYS A 59 -12.956 89.603 22.881 1.00 0.00 ATOM 461 N THR A 60 -11.884 90.338 23.173 1.00 0.00 ATOM 462 CA THR A 60 -11.807 91.068 24.438 1.00 0.00 ATOM 463 CB THR A 60 -10.569 90.645 25.251 1.00 0.00 ATOM 464 CG2 THR A 60 -10.647 89.168 25.609 1.00 0.00 ATOM 465 OG1 THR A 60 -9.384 90.873 24.477 1.00 0.00 ATOM 466 O THR A 60 -10.762 93.226 24.674 1.00 0.00 ATOM 467 C THR A 60 -11.712 92.564 24.226 1.00 0.00 ATOM 468 N SER A 61 -12.588 93.146 23.423 1.00 0.00 ATOM 469 CA SER A 61 -12.653 94.594 23.299 1.00 0.00 ATOM 470 CB SER A 61 -12.162 95.265 24.584 1.00 0.00 ATOM 471 OG SER A 61 -13.000 94.942 25.679 1.00 0.00 ATOM 472 O SER A 61 -12.071 96.302 21.727 1.00 0.00 ATOM 473 C SER A 61 -11.804 95.170 22.159 1.00 0.00 ATOM 474 N GLN A 62 -10.774 94.373 21.578 1.00 0.00 ATOM 475 CA GLN A 62 -9.846 94.994 20.621 1.00 0.00 ATOM 476 CB GLN A 62 -10.515 96.177 19.918 1.00 0.00 ATOM 477 CG GLN A 62 -11.685 95.790 19.028 1.00 0.00 ATOM 478 CD GLN A 62 -12.353 96.990 18.388 1.00 0.00 ATOM 479 OE1 GLN A 62 -11.964 98.133 18.633 1.00 0.00 ATOM 480 NE2 GLN A 62 -13.363 96.736 17.565 1.00 0.00 ATOM 481 O GLN A 62 -7.846 96.244 20.719 1.00 0.00 ATOM 482 C GLN A 62 -8.600 95.498 21.357 1.00 0.00 ATOM 483 N THR A 63 -8.333 94.938 22.542 1.00 0.00 ATOM 484 CA THR A 63 -7.126 95.339 23.263 1.00 0.00 ATOM 485 CB THR A 63 -7.115 94.783 24.700 1.00 0.00 ATOM 486 CG2 THR A 63 -8.339 95.264 25.464 1.00 0.00 ATOM 487 OG1 THR A 63 -7.125 93.351 24.661 1.00 0.00 ATOM 488 O THR A 63 -6.156 93.813 21.653 1.00 0.00 ATOM 489 C THR A 63 -5.958 94.719 22.478 1.00 0.00 ATOM 490 N TRP A 64 -4.749 95.266 22.665 1.00 0.00 ATOM 491 CA TRP A 64 -3.559 94.799 21.970 1.00 0.00 ATOM 492 CB TRP A 64 -2.477 95.859 21.862 1.00 0.00 ATOM 493 CG TRP A 64 -2.934 97.134 21.236 1.00 0.00 ATOM 494 CD1 TRP A 64 -3.605 98.155 21.852 1.00 0.00 ATOM 495 CD2 TRP A 64 -2.748 97.535 19.875 1.00 0.00 ATOM 496 CE2 TRP A 64 -3.331 98.816 19.738 1.00 0.00 ATOM 497 CE3 TRP A 64 -2.147 96.941 18.756 1.00 0.00 ATOM 498 NE1 TRP A 64 -3.847 99.166 20.958 1.00 0.00 ATOM 499 CZ2 TRP A 64 -3.330 99.514 18.527 1.00 0.00 ATOM 500 CZ3 TRP A 64 -2.147 97.637 17.549 1.00 0.00 ATOM 501 CH2 TRP A 64 -2.735 98.912 17.446 1.00 0.00 ATOM 502 O TRP A 64 -2.968 93.765 24.063 1.00 0.00 ATOM 503 C TRP A 64 -2.962 93.696 22.791 1.00 0.00 ATOM 504 N HIS A 65 -2.500 92.642 22.103 1.00 0.00 ATOM 505 CA HIS A 65 -1.695 91.602 22.720 1.00 0.00 ATOM 506 CB HIS A 65 -0.335 92.313 23.153 1.00 0.00 ATOM 507 CG HIS A 65 0.529 92.644 21.965 1.00 0.00 ATOM 508 CD2 HIS A 65 0.555 93.658 21.088 1.00 0.00 ATOM 509 ND1 HIS A 65 1.533 91.766 21.605 1.00 0.00 ATOM 510 CE1 HIS A 65 2.122 92.237 20.492 1.00 0.00 ATOM 511 NE2 HIS A 65 1.546 93.395 20.170 1.00 0.00 ATOM 512 O HIS A 65 -1.747 89.834 24.311 1.00 0.00 ATOM 513 C HIS A 65 -2.389 90.709 23.737 1.00 0.00 ATOM 514 N GLY A 66 -5.644 95.237 18.055 1.00 0.00 ATOM 515 CA GLY A 66 -6.304 96.312 17.354 1.00 0.00 ATOM 516 O GLY A 66 -6.390 96.374 14.975 1.00 0.00 ATOM 517 C GLY A 66 -5.691 96.366 15.983 1.00 0.00 ATOM 518 N GLY A 67 -4.387 96.370 15.945 1.00 0.00 ATOM 519 CA GLY A 67 -3.677 96.401 14.711 1.00 0.00 ATOM 520 O GLY A 67 -2.528 94.556 15.680 1.00 0.00 ATOM 521 C GLY A 67 -2.730 95.213 14.663 1.00 0.00 ATOM 522 N ILE A 68 -2.193 94.935 13.504 1.00 0.00 ATOM 523 CA ILE A 68 -1.440 93.728 13.251 1.00 0.00 ATOM 524 CB ILE A 68 -2.189 92.760 12.315 1.00 0.00 ATOM 525 CG1 ILE A 68 -2.454 93.424 10.962 1.00 0.00 ATOM 526 CG2 ILE A 68 -3.523 92.356 12.924 1.00 0.00 ATOM 527 CD1 ILE A 68 -3.001 92.479 9.916 1.00 0.00 ATOM 528 O ILE A 68 0.079 95.300 12.303 1.00 0.00 ATOM 529 C ILE A 68 -0.113 94.122 12.597 1.00 0.00 ATOM 530 N ALA A 69 0.841 93.164 12.385 1.00 0.00 ATOM 531 CA ALA A 69 2.086 93.453 11.670 1.00 0.00 ATOM 532 CB ALA A 69 2.939 92.198 11.563 1.00 0.00 ATOM 533 O ALA A 69 1.250 93.230 9.430 1.00 0.00 ATOM 534 C ALA A 69 1.814 93.954 10.253 1.00 0.00 ATOM 535 N THR A 70 2.195 95.177 9.993 1.00 0.00 ATOM 536 CA THR A 70 1.936 95.818 8.725 1.00 0.00 ATOM 537 CB THR A 70 1.220 97.167 8.921 1.00 0.00 ATOM 538 CG2 THR A 70 -0.065 96.978 9.714 1.00 0.00 ATOM 539 OG1 THR A 70 2.077 98.067 9.634 1.00 0.00 ATOM 540 O THR A 70 4.331 95.991 8.543 1.00 0.00 ATOM 541 C THR A 70 3.244 96.098 7.967 1.00 0.00 ATOM 542 N ILE A 71 3.133 96.451 6.687 1.00 0.00 ATOM 543 CA ILE A 71 4.296 96.764 5.847 1.00 0.00 ATOM 544 CB ILE A 71 4.406 95.788 4.661 1.00 0.00 ATOM 545 CG1 ILE A 71 4.561 94.351 5.167 1.00 0.00 ATOM 546 CG2 ILE A 71 5.612 96.128 3.801 1.00 0.00 ATOM 547 CD1 ILE A 71 4.477 93.307 4.074 1.00 0.00 ATOM 548 O ILE A 71 3.226 98.470 4.555 1.00 0.00 ATOM 549 C ILE A 71 4.177 98.175 5.281 1.00 0.00 ATOM 550 N PHE A 72 5.114 99.031 5.614 1.00 0.00 ATOM 551 CA PHE A 72 5.145 100.387 5.073 1.00 0.00 ATOM 552 CB PHE A 72 5.059 101.404 6.196 1.00 0.00 ATOM 553 CG PHE A 72 5.255 102.821 5.731 1.00 0.00 ATOM 554 CD1 PHE A 72 4.433 103.363 4.743 1.00 0.00 ATOM 555 CD2 PHE A 72 6.262 103.619 6.277 1.00 0.00 ATOM 556 CE1 PHE A 72 4.609 104.670 4.308 1.00 0.00 ATOM 557 CE2 PHE A 72 6.449 104.939 5.846 1.00 0.00 ATOM 558 CZ PHE A 72 5.626 105.464 4.863 1.00 0.00 ATOM 559 O PHE A 72 7.519 100.179 4.903 1.00 0.00 ATOM 560 C PHE A 72 6.502 100.657 4.429 1.00 0.00 ATOM 561 N GLN A 73 6.560 101.582 3.384 1.00 0.00 ATOM 562 CA GLN A 73 7.825 101.924 2.784 1.00 0.00 ATOM 563 CB GLN A 73 7.545 102.806 1.566 1.00 0.00 ATOM 564 CG GLN A 73 8.785 103.176 0.770 1.00 0.00 ATOM 565 CD GLN A 73 8.458 103.949 -0.493 1.00 0.00 ATOM 566 OE1 GLN A 73 7.308 104.323 -0.722 1.00 0.00 ATOM 567 NE2 GLN A 73 9.472 104.190 -1.316 1.00 0.00 ATOM 568 O GLN A 73 8.377 103.813 4.179 1.00 0.00 ATOM 569 C GLN A 73 8.737 102.728 3.726 1.00 0.00 ATOM 570 N SER A 74 9.847 102.134 4.091 1.00 0.00 ATOM 571 CA SER A 74 10.826 102.760 4.942 1.00 0.00 ATOM 572 CB SER A 74 10.911 102.031 6.285 1.00 0.00 ATOM 573 OG SER A 74 11.906 102.608 7.115 1.00 0.00 ATOM 574 O SER A 74 12.803 101.664 4.162 1.00 0.00 ATOM 575 C SER A 74 12.195 102.725 4.283 1.00 0.00 ATOM 576 N PRO A 75 12.704 103.891 3.846 1.00 0.00 ATOM 577 CA PRO A 75 14.020 103.949 3.201 1.00 0.00 ATOM 578 CB PRO A 75 14.227 105.446 2.980 1.00 0.00 ATOM 579 CG PRO A 75 12.824 105.948 2.768 1.00 0.00 ATOM 580 CD PRO A 75 12.059 105.215 3.852 1.00 0.00 ATOM 581 O PRO A 75 16.081 102.772 3.556 1.00 0.00 ATOM 582 C PRO A 75 15.118 103.337 4.072 1.00 0.00 ATOM 583 N GLY A 76 15.030 103.439 5.473 1.00 0.00 ATOM 584 CA GLY A 76 16.017 102.914 6.405 1.00 0.00 ATOM 585 O GLY A 76 16.383 100.954 7.743 1.00 0.00 ATOM 586 C GLY A 76 15.701 101.499 6.869 1.00 0.00 ATOM 587 N ASP A 77 14.699 100.892 6.275 1.00 0.00 ATOM 588 CA ASP A 77 14.303 99.591 6.715 1.00 0.00 ATOM 589 CB ASP A 77 13.154 99.743 7.788 1.00 0.00 ATOM 590 CG ASP A 77 13.614 100.229 9.147 1.00 0.00 ATOM 591 OD1 ASP A 77 14.815 100.080 9.467 1.00 0.00 ATOM 592 OD2 ASP A 77 12.770 100.744 9.904 1.00 0.00 ATOM 593 O ASP A 77 13.586 98.808 4.570 1.00 0.00 ATOM 594 C ASP A 77 14.061 98.522 5.668 1.00 0.00 ATOM 595 N GLU A 78 14.304 97.309 6.100 1.00 0.00 ATOM 596 CA GLU A 78 14.135 96.162 5.219 1.00 0.00 ATOM 597 CB GLU A 78 15.486 95.778 4.603 1.00 0.00 ATOM 598 CG GLU A 78 16.453 95.101 5.578 1.00 0.00 ATOM 599 CD GLU A 78 17.818 94.845 4.965 1.00 0.00 ATOM 600 OE1 GLU A 78 18.529 93.928 5.432 1.00 0.00 ATOM 601 OE2 GLU A 78 18.187 95.572 4.020 1.00 0.00 ATOM 602 O GLU A 78 13.504 94.988 7.222 1.00 0.00 ATOM 603 C GLU A 78 13.375 95.092 5.992 1.00 0.00 ATOM 604 N VAL A 79 12.588 94.327 5.305 1.00 0.00 ATOM 605 CA VAL A 79 11.795 93.318 5.941 1.00 0.00 ATOM 606 CB VAL A 79 10.308 93.446 5.562 1.00 0.00 ATOM 607 CG1 VAL A 79 9.493 92.342 6.218 1.00 0.00 ATOM 608 CG2 VAL A 79 9.757 94.788 6.017 1.00 0.00 ATOM 609 O VAL A 79 12.229 91.632 4.349 1.00 0.00 ATOM 610 C VAL A 79 12.261 91.963 5.519 1.00 0.00 ATOM 611 N TRP A 80 12.679 91.183 6.451 1.00 0.00 ATOM 612 CA TRP A 80 13.026 89.827 6.157 1.00 0.00 ATOM 613 CB TRP A 80 14.178 89.369 7.054 1.00 0.00 ATOM 614 CG TRP A 80 14.603 87.955 6.806 1.00 0.00 ATOM 615 CD1 TRP A 80 14.364 87.209 5.687 1.00 0.00 ATOM 616 CD2 TRP A 80 15.346 87.112 7.698 1.00 0.00 ATOM 617 CE2 TRP A 80 15.519 85.872 7.052 1.00 0.00 ATOM 618 CE3 TRP A 80 15.880 87.286 8.978 1.00 0.00 ATOM 619 NE1 TRP A 80 14.910 85.956 5.826 1.00 0.00 ATOM 620 CZ2 TRP A 80 16.203 84.811 7.644 1.00 0.00 ATOM 621 CZ3 TRP A 80 16.558 86.232 9.560 1.00 0.00 ATOM 622 CH2 TRP A 80 16.715 85.010 8.896 1.00 0.00 ATOM 623 O TRP A 80 11.257 89.003 7.511 1.00 0.00 ATOM 624 C TRP A 80 11.787 89.011 6.404 1.00 0.00 ATOM 625 N GLY A 81 11.308 88.375 5.387 1.00 0.00 ATOM 626 CA GLY A 81 10.112 87.623 5.500 1.00 0.00 ATOM 627 O GLY A 81 11.208 86.050 4.143 1.00 0.00 ATOM 628 C GLY A 81 10.139 86.470 4.574 1.00 0.00 ATOM 629 N VAL A 82 9.003 85.954 4.256 1.00 0.00 ATOM 630 CA VAL A 82 8.914 84.805 3.405 1.00 0.00 ATOM 631 CB VAL A 82 8.216 83.635 4.128 1.00 0.00 ATOM 632 CG1 VAL A 82 8.035 82.455 3.180 1.00 0.00 ATOM 633 CG2 VAL A 82 9.059 83.220 5.330 1.00 0.00 ATOM 634 O VAL A 82 7.161 85.910 2.235 1.00 0.00 ATOM 635 C VAL A 82 8.061 85.078 2.204 1.00 0.00 ATOM 636 N VAL A 83 8.376 84.397 1.162 1.00 0.00 ATOM 637 CA VAL A 83 7.640 84.454 -0.080 1.00 0.00 ATOM 638 CB VAL A 83 8.485 85.196 -1.225 1.00 0.00 ATOM 639 CG1 VAL A 83 8.993 86.572 -0.745 1.00 0.00 ATOM 640 CG2 VAL A 83 9.652 84.341 -1.640 1.00 0.00 ATOM 641 O VAL A 83 7.684 82.090 -0.521 1.00 0.00 ATOM 642 C VAL A 83 7.007 83.116 -0.485 1.00 0.00 ATOM 643 N TRP A 84 5.723 83.174 -0.771 1.00 0.00 ATOM 644 CA TRP A 84 4.894 82.012 -1.101 1.00 0.00 ATOM 645 CB TRP A 84 3.675 81.894 -0.206 1.00 0.00 ATOM 646 CG TRP A 84 3.988 81.210 1.097 1.00 0.00 ATOM 647 CD1 TRP A 84 4.022 79.864 1.331 1.00 0.00 ATOM 648 CD2 TRP A 84 4.284 81.843 2.348 1.00 0.00 ATOM 649 CE2 TRP A 84 4.483 80.816 3.299 1.00 0.00 ATOM 650 CE3 TRP A 84 4.401 83.180 2.759 1.00 0.00 ATOM 651 NE1 TRP A 84 4.317 79.621 2.651 1.00 0.00 ATOM 652 CZ2 TRP A 84 4.792 81.081 4.639 1.00 0.00 ATOM 653 CZ3 TRP A 84 4.708 83.446 4.092 1.00 0.00 ATOM 654 CH2 TRP A 84 4.899 82.397 5.015 1.00 0.00 ATOM 655 O TRP A 84 3.544 83.359 -2.586 1.00 0.00 ATOM 656 C TRP A 84 4.165 82.290 -2.436 1.00 0.00 ATOM 657 N LYS A 85 4.260 81.351 -3.383 1.00 0.00 ATOM 658 CA LYS A 85 3.634 81.516 -4.673 1.00 0.00 ATOM 659 CB LYS A 85 4.666 81.648 -5.803 1.00 0.00 ATOM 660 CG LYS A 85 5.820 80.685 -5.743 1.00 0.00 ATOM 661 CD LYS A 85 6.918 81.150 -6.709 1.00 0.00 ATOM 662 CE LYS A 85 8.321 80.938 -6.144 1.00 0.00 ATOM 663 NZ LYS A 85 9.337 81.728 -6.910 1.00 0.00 ATOM 664 O LYS A 85 2.698 79.320 -4.442 1.00 0.00 ATOM 665 C LYS A 85 2.519 80.490 -4.785 1.00 0.00 ATOM 666 N MET A 86 1.474 80.990 -5.282 1.00 0.00 ATOM 667 CA MET A 86 0.342 80.094 -5.440 1.00 0.00 ATOM 668 CB MET A 86 -0.739 80.247 -4.307 1.00 0.00 ATOM 669 CG MET A 86 -0.247 80.093 -2.880 1.00 0.00 ATOM 670 SD MET A 86 -0.079 78.362 -2.444 1.00 0.00 ATOM 671 CE MET A 86 -1.704 77.930 -1.854 1.00 0.00 ATOM 672 O MET A 86 -0.242 81.186 -7.466 1.00 0.00 ATOM 673 C MET A 86 -0.448 80.239 -6.749 1.00 0.00 ATOM 674 N ASN A 87 -1.640 79.503 -6.746 1.00 0.00 ATOM 675 CA ASN A 87 -2.524 79.730 -7.892 1.00 0.00 ATOM 676 CB ASN A 87 -3.574 78.621 -7.804 1.00 0.00 ATOM 677 CG ASN A 87 -2.996 77.247 -8.083 1.00 0.00 ATOM 678 ND2 ASN A 87 -3.716 76.210 -7.672 1.00 0.00 ATOM 679 OD1 ASN A 87 -1.917 77.123 -8.661 1.00 0.00 ATOM 680 O ASN A 87 -3.361 81.808 -6.943 1.00 0.00 ATOM 681 C ASN A 87 -3.279 81.083 -7.946 1.00 0.00 ATOM 682 N LYS A 88 -3.833 81.405 -9.106 1.00 0.00 ATOM 683 CA LYS A 88 -4.446 82.706 -9.348 1.00 0.00 ATOM 684 CB LYS A 88 -4.799 82.865 -10.828 1.00 0.00 ATOM 685 CG LYS A 88 -5.388 84.220 -11.184 1.00 0.00 ATOM 686 CD LYS A 88 -5.629 84.344 -12.680 1.00 0.00 ATOM 687 CE LYS A 88 -6.239 85.690 -13.033 1.00 0.00 ATOM 688 NZ LYS A 88 -6.501 85.815 -14.493 1.00 0.00 ATOM 689 O LYS A 88 -5.979 84.072 -8.091 1.00 0.00 ATOM 690 C LYS A 88 -5.745 82.951 -8.552 1.00 0.00 ATOM 691 N SER A 89 -6.564 81.914 -8.367 1.00 0.00 ATOM 692 CA SER A 89 -7.833 82.077 -7.616 1.00 0.00 ATOM 693 CB SER A 89 -8.619 80.764 -7.603 1.00 0.00 ATOM 694 OG SER A 89 -9.045 80.411 -8.908 1.00 0.00 ATOM 695 O SER A 89 -8.070 83.399 -5.634 1.00 0.00 ATOM 696 C SER A 89 -7.476 82.483 -6.192 1.00 0.00 ATOM 697 N ASN A 90 -6.539 81.779 -5.626 1.00 0.00 ATOM 698 CA ASN A 90 -6.121 82.082 -4.277 1.00 0.00 ATOM 699 CB ASN A 90 -5.147 80.991 -3.829 1.00 0.00 ATOM 700 CG ASN A 90 -5.839 79.673 -3.544 1.00 0.00 ATOM 701 ND2 ASN A 90 -5.077 78.587 -3.573 1.00 0.00 ATOM 702 OD1 ASN A 90 -7.045 79.636 -3.299 1.00 0.00 ATOM 703 O ASN A 90 -5.515 84.151 -3.224 1.00 0.00 ATOM 704 C ASN A 90 -5.423 83.432 -4.218 1.00 0.00 ATOM 705 N LEU A 91 -4.718 83.774 -5.311 1.00 0.00 ATOM 706 CA LEU A 91 -4.023 85.049 -5.383 1.00 0.00 ATOM 707 CB LEU A 91 -3.274 85.292 -6.631 1.00 0.00 ATOM 708 CG LEU A 91 -2.157 84.261 -6.923 1.00 0.00 ATOM 709 CD1 LEU A 91 -1.348 84.497 -8.115 1.00 0.00 ATOM 710 CD2 LEU A 91 -1.062 84.284 -5.721 1.00 0.00 ATOM 711 O LEU A 91 -4.884 87.126 -4.542 1.00 0.00 ATOM 712 C LEU A 91 -5.061 86.160 -5.279 1.00 0.00 ATOM 713 N ASN A 92 -6.183 86.037 -5.999 1.00 0.00 ATOM 714 CA ASN A 92 -7.227 87.047 -5.950 1.00 0.00 ATOM 715 CB ASN A 92 -8.245 86.808 -7.066 1.00 0.00 ATOM 716 CG ASN A 92 -7.716 87.204 -8.431 1.00 0.00 ATOM 717 ND2 ASN A 92 -8.321 86.657 -9.480 1.00 0.00 ATOM 718 OD1 ASN A 92 -6.776 87.991 -8.539 1.00 0.00 ATOM 719 O ASN A 92 -8.430 87.958 -4.097 1.00 0.00 ATOM 720 C ASN A 92 -7.953 86.961 -4.619 1.00 0.00 ATOM 721 N SER A 93 -8.025 85.769 -4.075 1.00 0.00 ATOM 722 CA SER A 93 -8.638 85.545 -2.774 1.00 0.00 ATOM 723 CB SER A 93 -8.701 84.049 -2.462 1.00 0.00 ATOM 724 OG SER A 93 -9.575 83.378 -3.354 1.00 0.00 ATOM 725 O SER A 93 -8.400 86.802 -0.749 1.00 0.00 ATOM 726 C SER A 93 -7.833 86.232 -1.669 1.00 0.00 ATOM 727 N LEU A 94 -6.518 86.196 -1.791 1.00 0.00 ATOM 728 CA LEU A 94 -5.627 86.891 -0.871 1.00 0.00 ATOM 729 CB LEU A 94 -4.167 86.634 -1.249 1.00 0.00 ATOM 730 CG LEU A 94 -3.127 87.313 -0.352 1.00 0.00 ATOM 731 CD1 LEU A 94 -3.279 86.774 1.055 1.00 0.00 ATOM 732 CD2 LEU A 94 -1.708 87.049 -0.869 1.00 0.00 ATOM 733 O LEU A 94 -5.961 89.070 0.059 1.00 0.00 ATOM 734 C LEU A 94 -5.894 88.386 -0.952 1.00 0.00 ATOM 735 N ASP A 95 -6.076 88.866 -2.173 1.00 0.00 ATOM 736 CA ASP A 95 -6.380 90.277 -2.437 1.00 0.00 ATOM 737 CB ASP A 95 -6.277 90.564 -3.955 1.00 0.00 ATOM 738 CG ASP A 95 -6.407 92.053 -4.277 1.00 0.00 ATOM 739 OD1 ASP A 95 -7.009 92.795 -3.473 1.00 0.00 ATOM 740 OD2 ASP A 95 -5.919 92.481 -5.340 1.00 0.00 ATOM 741 O ASP A 95 -7.897 91.727 -1.286 1.00 0.00 ATOM 742 C ASP A 95 -7.668 90.575 -1.677 1.00 0.00 ATOM 743 N GLU A 96 -8.486 89.443 -1.540 1.00 0.00 ATOM 744 CA GLU A 96 -9.770 89.624 -0.893 1.00 0.00 ATOM 745 CB GLU A 96 -10.711 88.459 -1.276 1.00 0.00 ATOM 746 CG GLU A 96 -12.144 88.672 -0.814 1.00 0.00 ATOM 747 CD GLU A 96 -13.055 87.527 -1.188 1.00 0.00 ATOM 748 OE1 GLU A 96 -14.276 87.684 -0.972 1.00 0.00 ATOM 749 OE2 GLU A 96 -12.561 86.479 -1.662 1.00 0.00 ATOM 750 O GLU A 96 -10.412 90.528 1.245 1.00 0.00 ATOM 751 C GLU A 96 -9.781 89.663 0.638 1.00 0.00 ATOM 752 N GLN A 97 -9.077 88.725 1.244 1.00 0.00 ATOM 753 CA GLN A 97 -9.002 88.598 2.701 1.00 0.00 ATOM 754 CB GLN A 97 -8.316 87.286 3.090 1.00 0.00 ATOM 755 CG GLN A 97 -9.137 86.043 2.787 1.00 0.00 ATOM 756 CD GLN A 97 -8.371 84.761 3.048 1.00 0.00 ATOM 757 OE1 GLN A 97 -7.180 84.790 3.358 1.00 0.00 ATOM 758 NE2 GLN A 97 -9.053 83.629 2.922 1.00 0.00 ATOM 759 O GLN A 97 -8.707 90.447 4.236 1.00 0.00 ATOM 760 C GLN A 97 -8.206 89.764 3.341 1.00 0.00 ATOM 761 N GLU A 98 -6.996 89.992 2.870 1.00 0.00 ATOM 762 CA GLU A 98 -6.125 91.037 3.431 1.00 0.00 ATOM 763 CB GLU A 98 -4.682 90.835 2.964 1.00 0.00 ATOM 764 CG GLU A 98 -4.039 89.554 3.472 1.00 0.00 ATOM 765 CD GLU A 98 -3.798 89.578 4.969 1.00 0.00 ATOM 766 OE1 GLU A 98 -3.952 90.657 5.578 1.00 0.00 ATOM 767 OE2 GLU A 98 -3.455 88.518 5.532 1.00 0.00 ATOM 768 O GLU A 98 -6.435 93.402 3.773 1.00 0.00 ATOM 769 C GLU A 98 -6.577 92.437 3.014 1.00 0.00 ATOM 770 N GLY A 99 -7.159 92.524 1.822 1.00 0.00 ATOM 771 CA GLY A 99 -7.567 93.802 1.224 1.00 0.00 ATOM 772 O GLY A 99 -8.334 95.881 2.126 1.00 0.00 ATOM 773 C GLY A 99 -8.413 94.658 2.163 1.00 0.00 ATOM 774 N VAL A 100 -9.263 94.003 3.105 1.00 0.00 ATOM 775 CA VAL A 100 -10.074 94.742 4.070 1.00 0.00 ATOM 776 CB VAL A 100 -10.841 93.868 5.045 1.00 0.00 ATOM 777 CG1 VAL A 100 -11.906 93.098 4.290 1.00 0.00 ATOM 778 CG2 VAL A 100 -9.912 92.937 5.811 1.00 0.00 ATOM 779 O VAL A 100 -9.609 96.911 5.023 1.00 0.00 ATOM 780 C VAL A 100 -9.229 95.708 4.898 1.00 0.00 ATOM 781 N LYS A 101 -8.103 95.271 5.398 1.00 0.00 ATOM 782 CA LYS A 101 -7.220 96.173 6.175 1.00 0.00 ATOM 783 CB LYS A 101 -6.012 95.354 6.623 1.00 0.00 ATOM 784 CG LYS A 101 -6.339 94.071 7.379 1.00 0.00 ATOM 785 CD LYS A 101 -7.095 94.350 8.669 1.00 0.00 ATOM 786 CE LYS A 101 -7.363 93.059 9.432 1.00 0.00 ATOM 787 NZ LYS A 101 -8.139 93.289 10.686 1.00 0.00 ATOM 788 O LYS A 101 -6.389 98.340 5.853 1.00 0.00 ATOM 789 C LYS A 101 -6.690 97.290 5.321 1.00 0.00 ATOM 790 N SER A 102 -6.610 97.077 3.998 1.00 0.00 ATOM 791 CA SER A 102 -6.119 98.089 3.116 1.00 0.00 ATOM 792 CB SER A 102 -5.947 97.513 1.704 1.00 0.00 ATOM 793 OG SER A 102 -7.206 97.041 1.209 1.00 0.00 ATOM 794 O SER A 102 -6.573 100.346 2.609 1.00 0.00 ATOM 795 C SER A 102 -7.013 99.326 3.093 1.00 0.00 ATOM 796 N GLY A 103 -8.313 99.212 3.667 1.00 0.00 ATOM 797 CA GLY A 103 -9.216 100.342 3.771 1.00 0.00 ATOM 798 O GLY A 103 -9.237 102.398 4.990 1.00 0.00 ATOM 799 C GLY A 103 -8.799 101.253 4.909 1.00 0.00 ATOM 800 N MET A 104 -7.937 100.748 5.791 1.00 0.00 ATOM 801 CA MET A 104 -7.475 101.522 6.939 1.00 0.00 ATOM 802 CB MET A 104 -8.007 100.918 8.240 1.00 0.00 ATOM 803 CG MET A 104 -9.513 100.891 8.383 1.00 0.00 ATOM 804 SD MET A 104 -9.965 100.105 9.943 1.00 0.00 ATOM 805 CE MET A 104 -9.839 98.389 9.497 1.00 0.00 ATOM 806 O MET A 104 -5.451 102.569 7.666 1.00 0.00 ATOM 807 C MET A 104 -5.960 101.619 7.071 1.00 0.00 ATOM 808 N TYR A 105 -5.239 100.658 6.503 1.00 0.00 ATOM 809 CA TYR A 105 -3.785 100.647 6.634 1.00 0.00 ATOM 810 CB TYR A 105 -3.348 99.430 7.455 1.00 0.00 ATOM 811 CG TYR A 105 -3.979 99.324 8.822 1.00 0.00 ATOM 812 CD1 TYR A 105 -5.082 98.502 9.038 1.00 0.00 ATOM 813 CD2 TYR A 105 -3.466 100.038 9.901 1.00 0.00 ATOM 814 CE1 TYR A 105 -5.658 98.390 10.302 1.00 0.00 ATOM 815 CE2 TYR A 105 -4.033 99.935 11.165 1.00 0.00 ATOM 816 CZ TYR A 105 -5.125 99.111 11.360 1.00 0.00 ATOM 817 OH TYR A 105 -5.677 99.001 12.617 1.00 0.00 ATOM 818 O TYR A 105 -3.391 100.130 4.323 1.00 0.00 ATOM 819 C TYR A 105 -2.963 100.649 5.352 1.00 0.00 ATOM 820 N VAL A 106 -3.177 97.301 0.552 1.00 0.00 ATOM 821 CA VAL A 106 -3.252 97.355 -0.881 1.00 0.00 ATOM 822 CB VAL A 106 -2.957 98.775 -1.436 1.00 0.00 ATOM 823 CG1 VAL A 106 -2.989 98.780 -2.966 1.00 0.00 ATOM 824 CG2 VAL A 106 -3.971 99.765 -0.893 1.00 0.00 ATOM 825 O VAL A 106 -1.103 96.283 -0.912 1.00 0.00 ATOM 826 C VAL A 106 -2.209 96.414 -1.468 1.00 0.00 ATOM 827 N VAL A 107 -2.544 95.769 -2.570 1.00 0.00 ATOM 828 CA VAL A 107 -1.654 94.819 -3.183 1.00 0.00 ATOM 829 CB VAL A 107 -2.432 93.773 -4.002 1.00 0.00 ATOM 830 CG1 VAL A 107 -1.473 92.802 -4.677 1.00 0.00 ATOM 831 CG2 VAL A 107 -3.364 92.977 -3.103 1.00 0.00 ATOM 832 O VAL A 107 -1.110 96.157 -5.091 1.00 0.00 ATOM 833 C VAL A 107 -0.701 95.557 -4.098 1.00 0.00 ATOM 834 N ILE A 108 0.553 95.524 -3.760 1.00 0.00 ATOM 835 CA ILE A 108 1.555 96.227 -4.512 1.00 0.00 ATOM 836 CB ILE A 108 2.177 97.378 -3.700 1.00 0.00 ATOM 837 CG1 ILE A 108 2.844 96.837 -2.433 1.00 0.00 ATOM 838 CG2 ILE A 108 1.109 98.380 -3.292 1.00 0.00 ATOM 839 CD1 ILE A 108 3.659 97.869 -1.684 1.00 0.00 ATOM 840 O ILE A 108 2.678 94.134 -4.458 1.00 0.00 ATOM 841 C ILE A 108 2.609 95.241 -4.976 1.00 0.00 ATOM 842 N GLU A 109 3.352 95.632 -5.990 1.00 0.00 ATOM 843 CA GLU A 109 4.545 94.883 -6.419 1.00 0.00 ATOM 844 CB GLU A 109 4.646 94.972 -7.942 1.00 0.00 ATOM 845 CG GLU A 109 3.468 94.357 -8.680 1.00 0.00 ATOM 846 CD GLU A 109 3.605 94.462 -10.187 1.00 0.00 ATOM 847 OE1 GLU A 109 4.571 95.100 -10.653 1.00 0.00 ATOM 848 OE2 GLU A 109 2.743 93.905 -10.901 1.00 0.00 ATOM 849 O GLU A 109 6.027 96.636 -5.707 1.00 0.00 ATOM 850 C GLU A 109 5.830 95.421 -5.802 1.00 0.00 ATOM 851 N VAL A 110 6.678 94.530 -5.359 1.00 0.00 ATOM 852 CA VAL A 110 7.914 94.895 -4.703 1.00 0.00 ATOM 853 CB VAL A 110 7.804 94.758 -3.173 1.00 0.00 ATOM 854 CG1 VAL A 110 6.734 95.694 -2.630 1.00 0.00 ATOM 855 CG2 VAL A 110 7.434 93.334 -2.791 1.00 0.00 ATOM 856 O VAL A 110 8.817 92.959 -5.778 1.00 0.00 ATOM 857 C VAL A 110 9.049 94.003 -5.161 1.00 0.00 ATOM 858 N LYS A 111 10.254 94.422 -4.887 1.00 0.00 ATOM 859 CA LYS A 111 11.406 93.641 -5.214 1.00 0.00 ATOM 860 CB LYS A 111 12.469 94.514 -5.885 1.00 0.00 ATOM 861 CG LYS A 111 12.040 95.091 -7.225 1.00 0.00 ATOM 862 CD LYS A 111 13.135 95.954 -7.830 1.00 0.00 ATOM 863 CE LYS A 111 12.714 96.515 -9.179 1.00 0.00 ATOM 864 NZ LYS A 111 13.809 97.293 -9.822 1.00 0.00 ATOM 865 O LYS A 111 12.316 93.741 -3.026 1.00 0.00 ATOM 866 C LYS A 111 11.985 93.033 -3.968 1.00 0.00 ATOM 867 N VAL A 112 12.091 91.730 -3.954 1.00 0.00 ATOM 868 CA VAL A 112 12.612 91.010 -2.818 1.00 0.00 ATOM 869 CB VAL A 112 11.596 89.996 -2.259 1.00 0.00 ATOM 870 CG1 VAL A 112 10.357 90.711 -1.743 1.00 0.00 ATOM 871 CG2 VAL A 112 11.170 89.017 -3.345 1.00 0.00 ATOM 872 O VAL A 112 14.016 89.873 -4.360 1.00 0.00 ATOM 873 C VAL A 112 13.857 90.249 -3.212 1.00 0.00 ATOM 874 N ALA A 113 14.729 90.036 -2.283 1.00 0.00 ATOM 875 CA ALA A 113 15.966 89.352 -2.552 1.00 0.00 ATOM 876 CB ALA A 113 17.147 90.186 -2.079 1.00 0.00 ATOM 877 O ALA A 113 15.658 87.944 -0.655 1.00 0.00 ATOM 878 C ALA A 113 15.990 88.020 -1.833 1.00 0.00 ATOM 879 N THR A 114 16.347 86.986 -2.564 1.00 0.00 ATOM 880 CA THR A 114 16.482 85.633 -2.044 1.00 0.00 ATOM 881 CB THR A 114 16.633 84.626 -3.238 1.00 0.00 ATOM 882 CG2 THR A 114 15.676 84.812 -4.296 1.00 0.00 ATOM 883 OG1 THR A 114 17.922 84.851 -3.844 1.00 0.00 ATOM 884 O THR A 114 18.652 86.038 -1.152 1.00 0.00 ATOM 885 C THR A 114 17.506 85.627 -0.936 1.00 0.00 ATOM 886 N GLN A 115 17.113 85.135 0.351 1.00 0.00 ATOM 887 CA GLN A 115 18.063 84.968 1.438 1.00 0.00 ATOM 888 CB GLN A 115 17.352 84.186 2.621 1.00 0.00 ATOM 889 CG GLN A 115 18.318 83.836 3.774 1.00 0.00 ATOM 890 CD GLN A 115 17.959 82.878 4.849 1.00 0.00 ATOM 891 OE1 GLN A 115 16.910 82.227 4.737 1.00 0.00 ATOM 892 NE2 GLN A 115 18.768 82.703 5.924 1.00 0.00 ATOM 893 O GLN A 115 20.426 84.687 1.632 1.00 0.00 ATOM 894 C GLN A 115 19.404 84.318 1.066 1.00 0.00 ATOM 895 N GLU A 116 19.381 83.374 0.135 1.00 0.00 ATOM 896 CA GLU A 116 20.557 82.605 -0.309 1.00 0.00 ATOM 897 CB GLU A 116 20.191 81.134 -0.516 1.00 0.00 ATOM 898 CG GLU A 116 19.809 80.404 0.762 1.00 0.00 ATOM 899 CD GLU A 116 19.423 78.959 0.516 1.00 0.00 ATOM 900 OE1 GLU A 116 19.531 78.506 -0.644 1.00 0.00 ATOM 901 OE2 GLU A 116 19.015 78.280 1.480 1.00 0.00 ATOM 902 O GLU A 116 21.993 82.347 -2.228 1.00 0.00 ATOM 903 C GLU A 116 21.194 83.078 -1.628 1.00 0.00 ATOM 904 N GLY A 117 20.791 84.278 -2.080 1.00 0.00 ATOM 905 CA GLY A 117 21.352 84.896 -3.283 1.00 0.00 ATOM 906 O GLY A 117 21.727 86.198 -5.231 1.00 0.00 ATOM 907 C GLY A 117 20.889 85.717 -4.470 1.00 0.00 ATOM 908 N LYS A 118 19.444 86.266 -5.374 1.00 0.00 ATOM 909 CA LYS A 118 18.987 87.050 -6.521 1.00 0.00 ATOM 910 CB LYS A 118 18.278 86.155 -7.518 1.00 0.00 ATOM 911 CG LYS A 118 19.154 85.056 -8.071 1.00 0.00 ATOM 912 CD LYS A 118 20.440 85.626 -8.629 1.00 0.00 ATOM 913 CE LYS A 118 20.714 85.087 -10.022 1.00 0.00 ATOM 914 NZ LYS A 118 21.827 84.100 -10.030 1.00 0.00 ATOM 915 O LYS A 118 17.272 87.786 -5.062 1.00 0.00 ATOM 916 C LYS A 118 17.821 87.928 -6.135 1.00 0.00 ATOM 917 N GLU A 119 17.410 88.760 -7.032 1.00 0.00 ATOM 918 CA GLU A 119 16.291 89.652 -6.787 1.00 0.00 ATOM 919 CB GLU A 119 16.644 91.082 -7.201 1.00 0.00 ATOM 920 CG GLU A 119 17.749 91.713 -6.369 1.00 0.00 ATOM 921 CD GLU A 119 18.016 93.156 -6.753 1.00 0.00 ATOM 922 OE1 GLU A 119 17.372 93.646 -7.704 1.00 0.00 ATOM 923 OE2 GLU A 119 18.868 93.796 -6.103 1.00 0.00 ATOM 924 O GLU A 119 15.254 88.712 -8.729 1.00 0.00 ATOM 925 C GLU A 119 15.092 89.192 -7.608 1.00 0.00 ATOM 926 N ILE A 120 13.924 89.357 -7.073 1.00 0.00 ATOM 927 CA ILE A 120 12.682 88.957 -7.714 1.00 0.00 ATOM 928 CB ILE A 120 12.203 87.579 -7.178 1.00 0.00 ATOM 929 CG1 ILE A 120 11.975 87.645 -5.661 1.00 0.00 ATOM 930 CG2 ILE A 120 13.218 86.499 -7.515 1.00 0.00 ATOM 931 CD1 ILE A 120 11.436 86.352 -5.054 1.00 0.00 ATOM 932 O ILE A 120 11.724 90.798 -6.597 1.00 0.00 ATOM 933 C ILE A 120 11.633 89.982 -7.502 1.00 0.00 ATOM 934 N THR A 121 10.645 89.921 -8.306 1.00 0.00 ATOM 935 CA THR A 121 9.519 90.815 -8.195 1.00 0.00 ATOM 936 CB THR A 121 9.226 91.522 -9.532 1.00 0.00 ATOM 937 CG2 THR A 121 8.026 92.445 -9.394 1.00 0.00 ATOM 938 OG1 THR A 121 10.365 92.299 -9.924 1.00 0.00 ATOM 939 O THR A 121 7.896 89.098 -8.483 1.00 0.00 ATOM 940 C THR A 121 8.300 90.026 -7.788 1.00 0.00 ATOM 941 N CYS A 122 7.727 90.375 -6.675 1.00 0.00 ATOM 942 CA CYS A 122 6.577 89.661 -6.158 1.00 0.00 ATOM 943 CB CYS A 122 6.971 88.798 -4.958 1.00 0.00 ATOM 944 SG CYS A 122 7.547 89.734 -3.522 1.00 0.00 ATOM 945 O CYS A 122 5.725 91.865 -5.757 1.00 0.00 ATOM 946 C CYS A 122 5.508 90.646 -5.725 1.00 0.00 ATOM 947 N ARG A 123 4.364 90.139 -5.346 1.00 0.00 ATOM 948 CA ARG A 123 3.321 90.977 -4.802 1.00 0.00 ATOM 949 CB ARG A 123 1.947 90.373 -5.052 1.00 0.00 ATOM 950 CG ARG A 123 1.535 90.378 -6.513 1.00 0.00 ATOM 951 CD ARG A 123 1.309 91.800 -7.006 1.00 0.00 ATOM 952 NE ARG A 123 0.681 91.837 -8.324 1.00 0.00 ATOM 953 CZ ARG A 123 1.331 91.764 -9.481 1.00 0.00 ATOM 954 NH1 ARG A 123 2.652 91.640 -9.515 1.00 0.00 ATOM 955 NH2 ARG A 123 0.650 91.838 -10.619 1.00 0.00 ATOM 956 O ARG A 123 3.845 89.932 -2.734 1.00 0.00 ATOM 957 C ARG A 123 3.366 90.904 -3.299 1.00 0.00 ATOM 958 N SER A 124 2.908 91.923 -2.669 1.00 0.00 ATOM 959 CA SER A 124 2.780 91.943 -1.254 1.00 0.00 ATOM 960 CB SER A 124 4.095 92.390 -0.613 1.00 0.00 ATOM 961 OG SER A 124 4.379 93.744 -0.921 1.00 0.00 ATOM 962 O SER A 124 1.143 93.583 -1.847 1.00 0.00 ATOM 963 C SER A 124 1.677 92.921 -0.931 1.00 0.00 ATOM 964 N TYR A 125 1.294 92.980 0.291 1.00 0.00 ATOM 965 CA TYR A 125 0.261 93.859 0.694 1.00 0.00 ATOM 966 CB TYR A 125 -0.707 93.095 1.599 1.00 0.00 ATOM 967 CG TYR A 125 -1.984 93.793 1.994 1.00 0.00 ATOM 968 CD1 TYR A 125 -2.112 94.397 3.253 1.00 0.00 ATOM 969 CD2 TYR A 125 -3.092 93.799 1.141 1.00 0.00 ATOM 970 CE1 TYR A 125 -3.309 95.005 3.646 1.00 0.00 ATOM 971 CE2 TYR A 125 -4.298 94.413 1.537 1.00 0.00 ATOM 972 CZ TYR A 125 -4.388 95.009 2.786 1.00 0.00 ATOM 973 OH TYR A 125 -5.557 95.603 3.179 1.00 0.00 ATOM 974 O TYR A 125 1.434 94.659 2.611 1.00 0.00 ATOM 975 C TYR A 125 0.846 94.931 1.564 1.00 0.00 ATOM 976 N LEU A 126 0.701 96.135 1.118 1.00 0.00 ATOM 977 CA LEU A 126 1.313 97.266 1.748 1.00 0.00 ATOM 978 CB LEU A 126 1.745 98.278 0.742 1.00 0.00 ATOM 979 CG LEU A 126 2.240 99.609 1.307 1.00 0.00 ATOM 980 CD1 LEU A 126 3.496 99.467 2.154 1.00 0.00 ATOM 981 CD2 LEU A 126 2.513 100.571 0.149 1.00 0.00 ATOM 982 O LEU A 126 -0.878 98.161 2.060 1.00 0.00 ATOM 983 C LEU A 126 0.282 98.064 2.493 1.00 0.00 ATOM 984 N MET A 127 0.699 98.628 3.602 1.00 0.00 ATOM 985 CA MET A 127 -0.150 99.432 4.416 1.00 0.00 ATOM 986 CB MET A 127 0.505 99.698 5.772 1.00 0.00 ATOM 987 CG MET A 127 -0.373 100.468 6.745 1.00 0.00 ATOM 988 SD MET A 127 0.416 100.720 8.346 1.00 0.00 ATOM 989 CE MET A 127 1.606 101.997 7.940 1.00 0.00 ATOM 990 O MET A 127 0.571 101.430 3.267 1.00 0.00 ATOM 991 C MET A 127 -0.381 100.742 3.693 1.00 0.00 ATOM 992 N THR A 128 -1.621 101.045 3.506 1.00 0.00 ATOM 993 CA THR A 128 -2.037 102.142 2.691 1.00 0.00 ATOM 994 CB THR A 128 -3.547 102.087 2.397 1.00 0.00 ATOM 995 CG2 THR A 128 -3.972 103.285 1.562 1.00 0.00 ATOM 996 OG1 THR A 128 -3.852 100.887 1.676 1.00 0.00 ATOM 997 O THR A 128 -1.297 104.421 2.712 1.00 0.00 ATOM 998 C THR A 128 -1.754 103.481 3.366 1.00 0.00 ATOM 999 N ASN A 129 -2.001 103.560 4.654 1.00 0.00 ATOM 1000 CA ASN A 129 -1.792 104.801 5.399 1.00 0.00 ATOM 1001 CB ASN A 129 -2.617 104.799 6.687 1.00 0.00 ATOM 1002 CG ASN A 129 -2.556 106.125 7.421 1.00 0.00 ATOM 1003 ND2 ASN A 129 -3.567 106.395 8.237 1.00 0.00 ATOM 1004 OD1 ASN A 129 -1.609 106.893 7.255 1.00 0.00 ATOM 1005 O ASN A 129 0.180 104.286 6.643 1.00 0.00 ATOM 1006 C ASN A 129 -0.311 104.939 5.757 1.00 0.00 ATOM 1007 N TYR A 130 0.389 105.785 5.048 1.00 0.00 ATOM 1008 CA TYR A 130 1.838 105.900 5.208 1.00 0.00 ATOM 1009 CB TYR A 130 2.136 106.985 3.851 1.00 0.00 ATOM 1010 CG TYR A 130 1.108 106.940 2.740 1.00 0.00 ATOM 1011 CD1 TYR A 130 -0.098 107.619 2.877 1.00 0.00 ATOM 1012 CD2 TYR A 130 1.311 106.137 1.618 1.00 0.00 ATOM 1013 CE1 TYR A 130 -1.111 107.478 1.890 1.00 0.00 ATOM 1014 CE2 TYR A 130 0.331 105.979 0.629 1.00 0.00 ATOM 1015 CZ TYR A 130 -0.882 106.662 0.792 1.00 0.00 ATOM 1016 OH TYR A 130 -1.820 106.435 -0.191 1.00 0.00 ATOM 1017 O TYR A 130 3.051 106.149 7.254 1.00 0.00 ATOM 1018 C TYR A 130 2.166 106.598 6.530 1.00 0.00 ATOM 1019 N GLU A 131 1.438 107.569 6.833 1.00 0.00 ATOM 1020 CA GLU A 131 1.586 108.285 8.103 1.00 0.00 ATOM 1021 CB GLU A 131 1.339 109.778 7.880 1.00 0.00 ATOM 1022 CG GLU A 131 2.296 110.425 6.892 1.00 0.00 ATOM 1023 CD GLU A 131 2.041 111.910 6.721 1.00 0.00 ATOM 1024 OE1 GLU A 131 1.120 112.434 7.382 1.00 0.00 ATOM 1025 OE2 GLU A 131 2.762 112.549 5.926 1.00 0.00 ATOM 1026 O GLU A 131 -0.513 108.188 9.214 1.00 0.00 ATOM 1027 C GLU A 131 0.641 107.773 9.156 1.00 0.00 ATOM 1028 N SER A 132 1.164 106.574 9.989 1.00 0.00 ATOM 1029 CA SER A 132 0.294 105.924 10.954 1.00 0.00 ATOM 1030 CB SER A 132 -0.141 104.549 10.441 1.00 0.00 ATOM 1031 OG SER A 132 -0.929 104.668 9.269 1.00 0.00 ATOM 1032 O SER A 132 2.113 105.173 12.327 1.00 0.00 ATOM 1033 C SER A 132 1.011 105.733 12.284 1.00 0.00 ATOM 1034 N ALA A 133 0.418 106.206 13.386 1.00 0.00 ATOM 1035 CA ALA A 133 1.016 106.091 14.709 1.00 0.00 ATOM 1036 CB ALA A 133 0.541 107.222 15.606 1.00 0.00 ATOM 1037 O ALA A 133 1.552 104.238 16.143 1.00 0.00 ATOM 1038 C ALA A 133 0.725 104.718 15.336 1.00 0.00 ATOM 1039 N PRO A 134 -0.415 104.113 15.039 1.00 0.00 ATOM 1040 CA PRO A 134 -0.700 102.769 15.566 1.00 0.00 ATOM 1041 CB PRO A 134 -2.040 102.402 14.934 1.00 0.00 ATOM 1042 CG PRO A 134 -2.709 103.717 14.666 1.00 0.00 ATOM 1043 CD PRO A 134 -1.571 104.661 14.311 1.00 0.00 ATOM 1044 O PRO A 134 0.434 100.774 16.163 1.00 0.00 ATOM 1045 C PRO A 134 0.255 101.649 15.317 1.00 0.00 ATOM 1046 N PRO A 135 0.821 101.645 14.113 1.00 0.00 ATOM 1047 CA PRO A 135 1.749 100.562 13.783 1.00 0.00 ATOM 1048 CB PRO A 135 2.075 100.820 12.311 1.00 0.00 ATOM 1049 CG PRO A 135 1.874 102.297 12.158 1.00 0.00 ATOM 1050 CD PRO A 135 0.635 102.556 12.971 1.00 0.00 ATOM 1051 O PRO A 135 3.372 101.673 15.201 1.00 0.00 ATOM 1052 C PRO A 135 2.990 100.613 14.690 1.00 0.00 ATOM 1053 N SER A 136 3.608 99.443 14.878 1.00 0.00 ATOM 1054 CA SER A 136 4.799 99.346 15.707 1.00 0.00 ATOM 1055 CB SER A 136 5.106 97.886 15.996 1.00 0.00 ATOM 1056 OG SER A 136 6.290 97.775 16.765 1.00 0.00 ATOM 1057 O SER A 136 6.363 99.576 13.912 1.00 0.00 ATOM 1058 C SER A 136 6.049 99.909 15.053 1.00 0.00 ATOM 1059 N PRO A 137 6.796 100.775 15.775 1.00 0.00 ATOM 1060 CA PRO A 137 8.013 101.344 15.197 1.00 0.00 ATOM 1061 CB PRO A 137 8.184 102.645 15.979 1.00 0.00 ATOM 1062 CG PRO A 137 7.661 102.278 17.336 1.00 0.00 ATOM 1063 CD PRO A 137 6.407 101.482 17.009 1.00 0.00 ATOM 1064 O PRO A 137 10.363 100.942 15.145 1.00 0.00 ATOM 1065 C PRO A 137 9.244 100.531 15.509 1.00 0.00 ATOM 1066 N GLN A 138 9.062 99.387 16.206 1.00 0.00 ATOM 1067 CA GLN A 138 10.204 98.527 16.570 1.00 0.00 ATOM 1068 CB GLN A 138 11.393 98.799 17.495 1.00 0.00 ATOM 1069 CG GLN A 138 11.733 100.272 17.651 1.00 0.00 ATOM 1070 CD GLN A 138 12.906 100.504 18.583 1.00 0.00 ATOM 1071 OE1 GLN A 138 13.447 99.562 19.162 1.00 0.00 ATOM 1072 NE2 GLN A 138 13.303 101.762 18.730 1.00 0.00 ATOM 1073 O GLN A 138 9.720 96.272 17.210 1.00 0.00 ATOM 1074 C GLN A 138 10.106 97.043 16.322 1.00 0.00 ATOM 1075 N TYR A 139 10.402 96.646 15.118 1.00 0.00 ATOM 1076 CA TYR A 139 10.323 95.276 14.749 1.00 0.00 ATOM 1077 CB TYR A 139 10.415 95.053 13.239 1.00 0.00 ATOM 1078 CG TYR A 139 10.163 93.611 12.849 1.00 0.00 ATOM 1079 CD1 TYR A 139 8.869 93.092 12.828 1.00 0.00 ATOM 1080 CD2 TYR A 139 11.221 92.749 12.562 1.00 0.00 ATOM 1081 CE1 TYR A 139 8.632 91.747 12.534 1.00 0.00 ATOM 1082 CE2 TYR A 139 10.995 91.399 12.267 1.00 0.00 ATOM 1083 CZ TYR A 139 9.701 90.907 12.257 1.00 0.00 ATOM 1084 OH TYR A 139 9.476 89.574 11.995 1.00 0.00 ATOM 1085 O TYR A 139 12.608 95.138 15.502 1.00 0.00 ATOM 1086 C TYR A 139 11.556 94.524 15.272 1.00 0.00 ATOM 1087 N LYS A 140 11.244 93.175 15.473 1.00 0.00 ATOM 1088 CA LYS A 140 12.317 92.281 15.969 1.00 0.00 ATOM 1089 CB LYS A 140 11.905 90.815 15.820 1.00 0.00 ATOM 1090 CG LYS A 140 12.932 89.825 16.342 1.00 0.00 ATOM 1091 CD LYS A 140 12.432 88.395 16.222 1.00 0.00 ATOM 1092 CE LYS A 140 13.480 87.402 16.699 1.00 0.00 ATOM 1093 NZ LYS A 140 12.996 85.997 16.608 1.00 0.00 ATOM 1094 O LYS A 140 14.664 92.646 15.744 1.00 0.00 ATOM 1095 C LYS A 140 13.583 92.509 15.182 1.00 0.00 ATOM 1096 N LYS A 141 13.424 92.557 13.873 1.00 0.00 ATOM 1097 CA LYS A 141 14.526 92.733 12.953 1.00 0.00 ATOM 1098 CB LYS A 141 14.036 92.645 11.505 1.00 0.00 ATOM 1099 CG LYS A 141 15.140 92.773 10.469 1.00 0.00 ATOM 1100 CD LYS A 141 14.597 92.592 9.060 1.00 0.00 ATOM 1101 CE LYS A 141 15.703 92.701 8.024 1.00 0.00 ATOM 1102 NZ LYS A 141 15.186 92.522 6.638 1.00 0.00 ATOM 1103 O LYS A 141 16.409 94.118 12.923 1.00 0.00 ATOM 1104 C LYS A 141 15.225 94.053 13.116 1.00 0.00 ATOM 1105 N ILE A 142 14.493 95.104 13.463 1.00 0.00 ATOM 1106 CA ILE A 142 15.116 96.403 13.709 1.00 0.00 ATOM 1107 CB ILE A 142 14.047 97.466 13.929 1.00 0.00 ATOM 1108 CG1 ILE A 142 13.339 97.734 12.587 1.00 0.00 ATOM 1109 CG2 ILE A 142 14.681 98.752 14.620 1.00 0.00 ATOM 1110 CD1 ILE A 142 12.223 98.689 12.656 1.00 0.00 ATOM 1111 O ILE A 142 17.159 96.703 14.919 1.00 0.00 ATOM 1112 C ILE A 142 16.005 96.282 14.943 1.00 0.00 ATOM 1113 N ILE A 143 15.474 95.725 16.001 1.00 0.00 ATOM 1114 CA ILE A 143 16.243 95.566 17.225 1.00 0.00 ATOM 1115 CB ILE A 143 15.374 95.107 18.383 1.00 0.00 ATOM 1116 CG1 ILE A 143 14.401 96.227 18.747 1.00 0.00 ATOM 1117 CG2 ILE A 143 16.241 94.734 19.584 1.00 0.00 ATOM 1118 CD1 ILE A 143 13.382 95.844 19.801 1.00 0.00 ATOM 1119 O ILE A 143 18.505 94.715 17.447 1.00 0.00 ATOM 1120 C ILE A 143 17.342 94.508 17.036 1.00 0.00 ATOM 1121 N CYS A 144 16.960 93.416 16.363 1.00 0.00 ATOM 1122 CA CYS A 144 17.896 92.345 16.043 1.00 0.00 ATOM 1123 CB CYS A 144 17.164 91.223 15.254 1.00 0.00 ATOM 1124 SG CYS A 144 16.025 90.202 16.214 1.00 0.00 ATOM 1125 O CYS A 144 20.196 92.560 15.481 1.00 0.00 ATOM 1126 C CYS A 144 19.056 92.903 15.222 1.00 0.00 ATOM 1127 N MET A 145 18.756 93.794 14.276 1.00 0.00 ATOM 1128 CA MET A 145 19.771 94.397 13.400 1.00 0.00 ATOM 1129 CB MET A 145 19.105 95.249 12.318 1.00 0.00 ATOM 1130 CG MET A 145 20.077 95.831 11.303 1.00 0.00 ATOM 1131 SD MET A 145 20.939 94.561 10.357 1.00 0.00 ATOM 1132 CE MET A 145 19.619 93.971 9.300 1.00 0.00 ATOM 1133 O MET A 145 21.931 95.243 13.970 1.00 0.00 ATOM 1134 C MET A 145 20.727 95.293 14.180 1.00 0.00 ATOM 1135 N GLY A 146 20.188 96.066 15.122 1.00 0.00 ATOM 1136 CA GLY A 146 21.003 96.944 15.969 1.00 0.00 ATOM 1137 O GLY A 146 23.045 96.536 17.145 1.00 0.00 ATOM 1138 C GLY A 146 21.906 96.142 16.912 1.00 0.00 ATOM 1139 N ALA A 147 21.408 95.018 17.440 1.00 0.00 ATOM 1140 CA ALA A 147 22.221 94.164 18.298 1.00 0.00 ATOM 1141 CB ALA A 147 21.397 92.979 18.807 1.00 0.00 ATOM 1142 O ALA A 147 24.539 93.610 17.963 1.00 0.00 ATOM 1143 C ALA A 147 23.409 93.665 17.476 1.00 0.00 ATOM 1144 N LYS A 148 23.151 93.307 16.221 1.00 0.00 ATOM 1145 CA LYS A 148 24.215 92.824 15.351 1.00 0.00 ATOM 1146 CB LYS A 148 23.641 92.344 14.013 1.00 0.00 ATOM 1147 CG LYS A 148 24.699 91.788 13.069 1.00 0.00 ATOM 1148 CD LYS A 148 24.068 91.018 11.922 1.00 0.00 ATOM 1149 CE LYS A 148 25.134 90.382 11.047 1.00 0.00 ATOM 1150 NZ LYS A 148 24.539 89.527 9.981 1.00 0.00 ATOM 1151 O LYS A 148 26.451 93.674 15.151 1.00 0.00 ATOM 1152 C LYS A 148 25.246 93.924 15.113 1.00 0.00 ATOM 1153 N GLU A 149 24.780 95.144 14.913 1.00 0.00 ATOM 1154 CA GLU A 149 25.678 96.286 14.691 1.00 0.00 ATOM 1155 CB GLU A 149 24.871 97.553 14.398 1.00 0.00 ATOM 1156 CG GLU A 149 24.189 97.554 13.039 1.00 0.00 ATOM 1157 CD GLU A 149 23.324 98.781 12.823 1.00 0.00 ATOM 1158 OE1 GLU A 149 23.201 99.594 13.763 1.00 0.00 ATOM 1159 OE2 GLU A 149 22.770 98.928 11.713 1.00 0.00 ATOM 1160 O GLU A 149 27.719 97.026 15.826 1.00 0.00 ATOM 1161 C GLU A 149 26.565 96.574 15.932 1.00 0.00 ATOM 1162 N ASN A 150 26.043 96.286 17.122 1.00 0.00 ATOM 1163 CA ASN A 150 26.770 96.551 18.361 1.00 0.00 ATOM 1164 CB ASN A 150 25.778 96.950 19.457 1.00 0.00 ATOM 1165 CG ASN A 150 25.158 98.311 19.214 1.00 0.00 ATOM 1166 ND2 ASN A 150 23.953 98.512 19.735 1.00 0.00 ATOM 1167 OD1 ASN A 150 25.757 99.170 18.567 1.00 0.00 ATOM 1168 O ASN A 150 28.316 95.483 19.851 1.00 0.00 ATOM 1169 C ASN A 150 27.571 95.349 18.885 1.00 0.00 ATOM 1170 N GLY A 151 27.402 94.183 18.265 1.00 0.00 ATOM 1171 CA GLY A 151 28.083 92.965 18.685 1.00 0.00 ATOM 1172 O GLY A 151 28.017 91.207 20.304 1.00 0.00 ATOM 1173 C GLY A 151 27.414 92.146 19.786 1.00 0.00 ATOM 1174 N LEU A 152 26.163 92.456 20.122 1.00 0.00 ATOM 1175 CA LEU A 152 25.450 91.754 21.198 1.00 0.00 ATOM 1176 CB LEU A 152 24.218 92.549 21.634 1.00 0.00 ATOM 1177 CG LEU A 152 24.482 93.932 22.236 1.00 0.00 ATOM 1178 CD1 LEU A 152 23.172 94.649 22.529 1.00 0.00 ATOM 1179 CD2 LEU A 152 25.260 93.812 23.538 1.00 0.00 ATOM 1180 O LEU A 152 24.883 90.120 19.545 1.00 0.00 ATOM 1181 C LEU A 152 24.987 90.361 20.745 1.00 0.00 ATOM 1182 N PRO A 153 24.739 89.444 21.687 1.00 0.00 ATOM 1183 CA PRO A 153 24.464 88.035 21.347 1.00 0.00 ATOM 1184 CB PRO A 153 24.279 87.354 22.705 1.00 0.00 ATOM 1185 CG PRO A 153 25.027 88.220 23.662 1.00 0.00 ATOM 1186 CD PRO A 153 24.837 89.632 23.183 1.00 0.00 ATOM 1187 O PRO A 153 22.261 88.601 20.565 1.00 0.00 ATOM 1188 C PRO A 153 23.212 87.812 20.499 1.00 0.00 ATOM 1189 N LEU A 154 23.215 86.725 19.727 1.00 0.00 ATOM 1190 CA LEU A 154 22.066 86.363 18.897 1.00 0.00 ATOM 1191 CB LEU A 154 22.382 85.125 18.055 1.00 0.00 ATOM 1192 CG LEU A 154 23.450 85.297 16.974 1.00 0.00 ATOM 1193 CD1 LEU A 154 23.762 83.964 16.308 1.00 0.00 ATOM 1194 CD2 LEU A 154 22.978 86.264 15.899 1.00 0.00 ATOM 1195 O LEU A 154 19.693 86.335 19.240 1.00 0.00 ATOM 1196 C LEU A 154 20.805 86.118 19.723 1.00 0.00 ATOM 1197 N GLU A 155 20.965 85.663 20.988 1.00 0.00 ATOM 1198 CA GLU A 155 19.831 85.386 21.867 1.00 0.00 ATOM 1199 CB GLU A 155 20.308 84.869 23.226 1.00 0.00 ATOM 1200 CG GLU A 155 20.940 83.487 23.176 1.00 0.00 ATOM 1201 CD GLU A 155 21.466 83.038 24.525 1.00 0.00 ATOM 1202 OE1 GLU A 155 21.371 83.825 25.492 1.00 0.00 ATOM 1203 OE2 GLU A 155 21.972 81.899 24.617 1.00 0.00 ATOM 1204 O GLU A 155 17.746 86.438 22.397 1.00 0.00 ATOM 1205 C GLU A 155 18.933 86.603 22.140 1.00 0.00 ATOM 1206 N TYR A 156 19.478 87.813 22.041 1.00 0.00 ATOM 1207 CA TYR A 156 18.678 89.030 22.228 1.00 0.00 ATOM 1208 CB TYR A 156 19.631 90.302 21.757 1.00 0.00 ATOM 1209 CG TYR A 156 19.291 91.681 22.278 1.00 0.00 ATOM 1210 CD1 TYR A 156 19.689 92.083 23.556 1.00 0.00 ATOM 1211 CD2 TYR A 156 18.578 92.587 21.491 1.00 0.00 ATOM 1212 CE1 TYR A 156 19.382 93.364 24.040 1.00 0.00 ATOM 1213 CE2 TYR A 156 18.262 93.863 21.958 1.00 0.00 ATOM 1214 CZ TYR A 156 18.670 94.249 23.232 1.00 0.00 ATOM 1215 OH TYR A 156 18.350 95.511 23.688 1.00 0.00 ATOM 1216 O TYR A 156 16.565 89.473 21.188 1.00 0.00 ATOM 1217 C TYR A 156 17.729 89.109 21.039 1.00 0.00 ATOM 1218 N GLN A 157 18.249 88.773 19.838 1.00 0.00 ATOM 1219 CA GLN A 157 17.415 88.810 18.643 1.00 0.00 ATOM 1220 CB GLN A 157 18.262 88.459 17.418 1.00 0.00 ATOM 1221 CG GLN A 157 19.242 89.547 17.010 1.00 0.00 ATOM 1222 CD GLN A 157 20.139 89.122 15.863 1.00 0.00 ATOM 1223 OE1 GLN A 157 20.104 87.971 15.429 1.00 0.00 ATOM 1224 NE2 GLN A 157 20.949 90.052 15.372 1.00 0.00 ATOM 1225 O GLN A 157 15.116 88.099 18.611 1.00 0.00 ATOM 1226 C GLN A 157 16.286 87.802 18.868 1.00 0.00 ATOM 1227 N GLU A 158 16.623 86.620 19.342 1.00 0.00 ATOM 1228 CA GLU A 158 15.598 85.615 19.584 1.00 0.00 ATOM 1229 CB GLU A 158 16.227 84.258 19.912 1.00 0.00 ATOM 1230 CG GLU A 158 17.019 83.649 18.766 1.00 0.00 ATOM 1231 CD GLU A 158 17.686 82.342 19.148 1.00 0.00 ATOM 1232 OE1 GLU A 158 17.539 81.920 20.314 1.00 0.00 ATOM 1233 OE2 GLU A 158 18.354 81.741 18.281 1.00 0.00 ATOM 1234 O GLU A 158 13.506 85.784 20.711 1.00 0.00 ATOM 1235 C GLU A 158 14.691 86.012 20.753 1.00 0.00 ATOM 1236 N LYS A 159 15.318 86.697 21.731 1.00 0.00 ATOM 1237 CA LYS A 159 14.589 87.077 22.958 1.00 0.00 ATOM 1238 CB LYS A 159 15.515 87.812 23.929 1.00 0.00 ATOM 1239 CG LYS A 159 14.851 88.212 25.236 1.00 0.00 ATOM 1240 CD LYS A 159 15.847 88.860 26.185 1.00 0.00 ATOM 1241 CE LYS A 159 15.187 89.242 27.499 1.00 0.00 ATOM 1242 NZ LYS A 159 16.152 89.876 28.441 1.00 0.00 ATOM 1243 O LYS A 159 12.361 87.910 23.306 1.00 0.00 ATOM 1244 C LYS A 159 13.403 87.981 22.637 1.00 0.00 ATOM 1245 N LEU A 160 13.593 88.823 21.541 1.00 0.00 ATOM 1246 CA LEU A 160 12.476 89.675 21.094 1.00 0.00 ATOM 1247 CB LEU A 160 12.934 90.616 19.977 1.00 0.00 ATOM 1248 CG LEU A 160 13.949 91.691 20.371 1.00 0.00 ATOM 1249 CD1 LEU A 160 14.450 92.434 19.142 1.00 0.00 ATOM 1250 CD2 LEU A 160 13.321 92.704 21.315 1.00 0.00 ATOM 1251 O LEU A 160 10.124 89.262 20.801 1.00 0.00 ATOM 1252 C LEU A 160 11.283 88.860 20.580 1.00 0.00 ATOM 1253 N LYS A 161 11.550 87.761 19.867 1.00 0.00 ATOM 1254 CA LYS A 161 10.479 86.809 19.476 1.00 0.00 ATOM 1255 CB LYS A 161 11.074 85.593 18.767 1.00 0.00 ATOM 1256 CG LYS A 161 10.041 84.585 18.288 1.00 0.00 ATOM 1257 CD LYS A 161 10.694 83.441 17.532 1.00 0.00 ATOM 1258 CE LYS A 161 9.666 82.409 17.096 1.00 0.00 ATOM 1259 NZ LYS A 161 10.295 81.268 16.375 1.00 0.00 ATOM 1260 O LYS A 161 8.486 86.225 20.655 1.00 0.00 ATOM 1261 C LYS A 161 9.716 86.297 20.693 1.00 0.00 ATOM 1262 N ALA A 162 10.415 85.944 21.791 1.00 0.00 ATOM 1263 CA ALA A 162 9.733 85.498 23.016 1.00 0.00 ATOM 1264 CB ALA A 162 10.700 85.049 24.063 1.00 0.00 ATOM 1265 O ALA A 162 7.696 86.367 23.996 1.00 0.00 ATOM 1266 C ALA A 162 8.857 86.617 23.615 1.00 0.00 ATOM 1267 N ILE A 163 9.394 87.848 23.677 1.00 0.00 ATOM 1268 CA ILE A 163 8.600 89.029 24.084 1.00 0.00 ATOM 1269 CB ILE A 163 9.397 90.332 23.888 1.00 0.00 ATOM 1270 CG1 ILE A 163 10.559 90.402 24.882 1.00 0.00 ATOM 1271 CG2 ILE A 163 8.502 91.542 24.107 1.00 0.00 ATOM 1272 CD1 ILE A 163 11.550 91.506 24.585 1.00 0.00 ATOM 1273 O ILE A 163 6.249 89.477 23.790 1.00 0.00 ATOM 1274 C ILE A 163 7.321 89.183 23.256 1.00 0.00 ATOM 1275 N GLU A 164 7.429 88.956 21.940 1.00 0.00 ATOM 1276 CA GLU A 164 6.255 89.066 21.078 1.00 0.00 ATOM 1277 CB GLU A 164 6.667 88.944 19.611 1.00 0.00 ATOM 1278 CG GLU A 164 7.462 90.131 19.088 1.00 0.00 ATOM 1279 CD GLU A 164 7.959 89.921 17.671 1.00 0.00 ATOM 1280 OE1 GLU A 164 7.746 88.819 17.124 1.00 0.00 ATOM 1281 OE2 GLU A 164 8.562 90.858 17.108 1.00 0.00 ATOM 1282 O GLU A 164 4.019 88.242 21.390 1.00 0.00 ATOM 1283 C GLU A 164 5.227 87.976 21.366 1.00 0.00 ATOM 1284 N PRO A 165 5.709 86.746 21.539 1.00 0.00 ATOM 1285 CA PRO A 165 4.856 85.585 21.837 1.00 0.00 ATOM 1286 CB PRO A 165 5.829 84.442 21.955 1.00 0.00 ATOM 1287 CG PRO A 165 6.931 84.789 20.988 1.00 0.00 ATOM 1288 CD PRO A 165 7.088 86.285 21.127 1.00 0.00 ATOM 1289 O PRO A 165 3.183 85.013 23.451 1.00 0.00 ATOM 1290 C PRO A 165 4.151 85.725 23.187 1.00 0.00 ATOM 1291 N ASN A 166 4.677 86.604 24.067 1.00 0.00 ATOM 1292 CA ASN A 166 4.046 86.790 25.372 1.00 0.00 ATOM 1293 CB ASN A 166 5.051 86.859 26.524 1.00 0.00 ATOM 1294 CG ASN A 166 5.585 85.496 26.915 1.00 0.00 ATOM 1295 ND2 ASN A 166 6.797 85.470 27.459 1.00 0.00 ATOM 1296 OD1 ASN A 166 4.915 84.480 26.729 1.00 0.00 ATOM 1297 O ASN A 166 2.835 88.582 26.421 1.00 0.00 ATOM 1298 C ASN A 166 3.328 88.142 25.384 1.00 0.00 ATOM 1299 N ASP A 167 3.271 88.759 24.137 1.00 0.00 ATOM 1300 CA ASP A 167 2.589 90.047 23.986 1.00 0.00 ATOM 1301 CB ASP A 167 1.075 89.845 24.081 1.00 0.00 ATOM 1302 CG ASP A 167 0.536 88.950 22.984 1.00 0.00 ATOM 1303 OD1 ASP A 167 0.866 89.190 21.805 1.00 0.00 ATOM 1304 OD2 ASP A 167 -0.219 88.006 23.306 1.00 0.00 ATOM 1305 O ASP A 167 2.133 91.781 25.613 1.00 0.00 ATOM 1306 C ASP A 167 2.991 91.099 25.040 1.00 0.00 ATOM 1307 N TYR A 168 4.311 91.240 25.274 1.00 0.00 ATOM 1308 CA TYR A 168 4.842 92.190 26.264 1.00 0.00 ATOM 1309 CB TYR A 168 6.370 92.123 26.305 1.00 0.00 ATOM 1310 CG TYR A 168 7.000 93.099 27.273 1.00 0.00 ATOM 1311 CD1 TYR A 168 7.043 92.825 28.633 1.00 0.00 ATOM 1312 CD2 TYR A 168 7.551 94.292 26.822 1.00 0.00 ATOM 1313 CE1 TYR A 168 7.616 93.711 29.525 1.00 0.00 ATOM 1314 CE2 TYR A 168 8.128 95.190 27.698 1.00 0.00 ATOM 1315 CZ TYR A 168 8.158 94.890 29.059 1.00 0.00 ATOM 1316 OH TYR A 168 8.730 95.775 29.945 1.00 0.00 ATOM 1317 O TYR A 168 3.961 94.351 26.819 1.00 0.00 ATOM 1318 C TYR A 168 4.449 93.625 25.949 1.00 0.00 ATOM 1319 N THR A 169 4.688 94.075 24.698 1.00 0.00 ATOM 1320 CA THR A 169 4.338 95.437 24.291 1.00 0.00 ATOM 1321 CB THR A 169 4.667 95.726 22.814 1.00 0.00 ATOM 1322 CG2 THR A 169 4.244 97.139 22.440 1.00 0.00 ATOM 1323 OG1 THR A 169 6.076 95.591 22.600 1.00 0.00 ATOM 1324 O THR A 169 2.441 96.743 24.952 1.00 0.00 ATOM 1325 C THR A 169 2.842 95.677 24.489 1.00 0.00 ATOM 1326 N GLY A 170 2.025 94.668 24.201 1.00 0.00 ATOM 1327 CA GLY A 170 0.576 94.805 24.285 1.00 0.00 ATOM 1328 O GLY A 170 -0.753 95.728 26.052 1.00 0.00 ATOM 1329 C GLY A 170 0.130 94.930 25.733 1.00 0.00 ATOM 1330 N LYS A 171 0.752 94.104 26.593 1.00 0.00 ATOM 1331 CA LYS A 171 0.463 94.141 28.024 1.00 0.00 ATOM 1332 CB LYS A 171 1.031 92.923 28.739 1.00 0.00 ATOM 1333 CG LYS A 171 0.424 91.583 28.356 1.00 0.00 ATOM 1334 CD LYS A 171 -1.095 91.503 28.465 1.00 0.00 ATOM 1335 CE LYS A 171 -1.582 90.046 28.570 1.00 0.00 ATOM 1336 NZ LYS A 171 -3.035 89.905 28.188 1.00 0.00 ATOM 1337 O LYS A 171 0.362 95.855 29.720 1.00 0.00 ATOM 1338 C LYS A 171 0.944 95.441 28.713 1.00 0.00 ATOM 1339 N VAL A 172 1.955 96.126 28.185 1.00 0.00 ATOM 1340 CA VAL A 172 2.325 97.423 28.715 1.00 0.00 ATOM 1341 CB VAL A 172 3.723 97.842 28.269 1.00 0.00 ATOM 1342 CG1 VAL A 172 4.138 99.155 28.921 1.00 0.00 ATOM 1343 CG2 VAL A 172 4.721 96.731 28.573 1.00 0.00 ATOM 1344 O VAL A 172 1.422 99.076 27.212 1.00 0.00 ATOM 1345 C VAL A 172 1.272 98.417 28.247 1.00 0.00 ATOM 1346 N SER A 173 0.103 98.424 29.024 1.00 0.00 ATOM 1347 CA SER A 173 -1.000 99.310 28.701 1.00 0.00 ATOM 1348 CB SER A 173 -2.173 99.137 29.677 1.00 0.00 ATOM 1349 OG SER A 173 -1.738 98.345 30.783 1.00 0.00 ATOM 1350 O SER A 173 -1.195 101.526 27.773 1.00 0.00 ATOM 1351 C SER A 173 -0.625 100.787 28.582 1.00 0.00 ATOM 1352 N GLU A 174 0.347 101.230 29.385 1.00 0.00 ATOM 1353 CA GLU A 174 0.787 102.614 29.344 1.00 0.00 ATOM 1354 CB GLU A 174 1.710 102.945 30.515 1.00 0.00 ATOM 1355 CG GLU A 174 1.038 102.917 31.878 1.00 0.00 ATOM 1356 CD GLU A 174 0.430 104.240 32.283 1.00 0.00 ATOM 1357 OE1 GLU A 174 0.361 104.493 33.504 1.00 0.00 ATOM 1358 OE2 GLU A 174 0.012 105.015 31.400 1.00 0.00 ATOM 1359 O GLU A 174 1.194 103.928 27.373 1.00 0.00 ATOM 1360 C GLU A 174 1.444 102.896 28.000 1.00 0.00 ATOM 1361 N GLU A 175 2.282 101.956 27.562 1.00 0.00 ATOM 1362 CA GLU A 175 2.976 102.078 26.278 1.00 0.00 ATOM 1363 CB GLU A 175 3.865 100.878 26.030 1.00 0.00 ATOM 1364 CG GLU A 175 4.821 101.096 24.862 1.00 0.00 ATOM 1365 CD GLU A 175 5.650 99.864 24.572 1.00 0.00 ATOM 1366 OE1 GLU A 175 5.976 99.110 25.509 1.00 0.00 ATOM 1367 OE2 GLU A 175 5.982 99.642 23.389 1.00 0.00 ATOM 1368 O GLU A 175 2.154 102.977 24.205 1.00 0.00 ATOM 1369 C GLU A 175 1.988 102.169 25.118 1.00 0.00 ATOM 1370 N ILE A 176 0.944 101.333 25.168 1.00 0.00 ATOM 1371 CA ILE A 176 -0.074 101.315 24.124 1.00 0.00 ATOM 1372 CB ILE A 176 -1.192 100.354 24.417 1.00 0.00 ATOM 1373 CG1 ILE A 176 -0.650 98.932 24.318 1.00 0.00 ATOM 1374 CG2 ILE A 176 -2.328 100.558 23.423 1.00 0.00 ATOM 1375 CD1 ILE A 176 -1.671 97.872 24.658 1.00 0.00 ATOM 1376 O ILE A 176 -0.875 103.221 22.890 1.00 0.00 ATOM 1377 C ILE A 176 -0.715 102.694 23.996 1.00 0.00 ATOM 1378 N GLU A 177 -1.085 103.268 25.138 1.00 0.00 ATOM 1379 CA GLU A 177 -1.711 104.586 25.169 1.00 0.00 ATOM 1380 CB GLU A 177 -2.080 104.933 26.629 1.00 0.00 ATOM 1381 CG GLU A 177 -2.755 106.273 26.772 1.00 0.00 ATOM 1382 CD GLU A 177 -3.980 106.409 25.884 1.00 0.00 ATOM 1383 OE1 GLU A 177 -4.611 105.374 25.506 1.00 0.00 ATOM 1384 OE2 GLU A 177 -4.314 107.573 25.567 1.00 0.00 ATOM 1385 O GLU A 177 -1.208 106.420 23.692 1.00 0.00 ATOM 1386 C GLU A 177 -0.784 105.629 24.541 1.00 0.00 ATOM 1387 N ASP A 178 0.466 105.616 24.952 1.00 0.00 ATOM 1388 CA ASP A 178 1.438 106.567 24.414 1.00 0.00 ATOM 1389 CB ASP A 178 2.804 106.353 25.132 1.00 0.00 ATOM 1390 CG ASP A 178 3.676 107.608 25.150 1.00 0.00 ATOM 1391 OD1 ASP A 178 3.224 108.684 24.697 1.00 0.00 ATOM 1392 OD2 ASP A 178 4.822 107.513 25.635 1.00 0.00 ATOM 1393 O ASP A 178 1.670 107.367 22.163 1.00 0.00 ATOM 1394 C ASP A 178 1.591 106.388 22.910 1.00 0.00 ATOM 1395 N ILE A 179 1.608 105.136 22.462 1.00 0.00 ATOM 1396 CA ILE A 179 1.739 104.846 21.041 1.00 0.00 ATOM 1397 CB ILE A 179 1.844 103.318 20.837 1.00 0.00 ATOM 1398 CG1 ILE A 179 3.181 102.827 21.414 1.00 0.00 ATOM 1399 CG2 ILE A 179 1.703 102.962 19.360 1.00 0.00 ATOM 1400 CD1 ILE A 179 3.282 101.292 21.458 1.00 0.00 ATOM 1401 O ILE A 179 0.739 106.039 19.206 1.00 0.00 ATOM 1402 C ILE A 179 0.561 105.412 20.251 1.00 0.00 ATOM 1403 N ILE A 180 -0.646 105.184 20.747 1.00 0.00 ATOM 1404 CA ILE A 180 -1.833 105.678 20.072 1.00 0.00 ATOM 1405 CB ILE A 180 -3.087 105.151 20.830 1.00 0.00 ATOM 1406 CG1 ILE A 180 -3.185 103.631 20.635 1.00 0.00 ATOM 1407 CG2 ILE A 180 -4.345 105.865 20.344 1.00 0.00 ATOM 1408 CD1 ILE A 180 -4.264 102.986 21.523 1.00 0.00 ATOM 1409 O ILE A 180 -2.137 107.793 18.981 1.00 0.00 ATOM 1410 C ILE A 180 -1.834 107.203 20.018 1.00 0.00 ATOM 1411 N LYS A 181 -1.489 107.843 21.130 1.00 0.00 ATOM 1412 CA LYS A 181 -1.455 109.302 21.173 1.00 0.00 ATOM 1413 CB LYS A 181 -1.082 109.819 22.566 1.00 0.00 ATOM 1414 CG LYS A 181 -2.105 109.532 23.652 1.00 0.00 ATOM 1415 CD LYS A 181 -1.717 110.269 24.954 1.00 0.00 ATOM 1416 CE LYS A 181 -2.828 110.175 26.013 1.00 0.00 ATOM 1417 NZ LYS A 181 -2.541 110.970 27.256 1.00 0.00 ATOM 1418 O LYS A 181 -0.805 110.799 19.422 1.00 0.00 ATOM 1419 C LYS A 181 -0.476 109.871 20.159 1.00 0.00 ATOM 1420 N LYS A 182 0.732 109.321 20.126 1.00 0.00 ATOM 1421 CA LYS A 182 1.742 109.801 19.192 1.00 0.00 ATOM 1422 CB LYS A 182 3.095 109.118 19.519 1.00 0.00 ATOM 1423 CG LYS A 182 3.589 109.342 20.943 1.00 0.00 ATOM 1424 CD LYS A 182 3.781 110.818 21.238 1.00 0.00 ATOM 1425 CE LYS A 182 4.317 111.042 22.642 1.00 0.00 ATOM 1426 NZ LYS A 182 4.581 112.490 22.865 1.00 0.00 ATOM 1427 O LYS A 182 1.657 110.266 16.844 1.00 0.00 ATOM 1428 C LYS A 182 1.340 109.500 17.758 1.00 0.00 ATOM 1429 N GLY A 183 0.642 108.388 17.557 1.00 0.00 ATOM 1430 CA GLY A 183 0.205 108.022 16.217 1.00 0.00 ATOM 1431 O GLY A 183 -0.783 109.391 14.516 1.00 0.00 ATOM 1432 C GLY A 183 -0.793 109.049 15.698 1.00 0.00 ATOM 1433 N GLU A 184 -1.651 109.538 16.588 1.00 0.00 ATOM 1434 CA GLU A 184 -2.645 110.540 16.222 1.00 0.00 ATOM 1435 CB GLU A 184 -3.629 110.912 17.270 1.00 0.00 ATOM 1436 CG GLU A 184 -4.525 109.703 17.644 1.00 0.00 ATOM 1437 CD GLU A 184 -5.716 109.644 16.706 1.00 0.00 ATOM 1438 OE1 GLU A 184 -5.865 110.432 15.740 1.00 0.00 ATOM 1439 OE2 GLU A 184 -6.561 108.836 16.955 1.00 0.00 ATOM 1440 O GLU A 184 -2.215 112.296 14.636 1.00 0.00 ATOM 1441 C GLU A 184 -1.942 111.800 15.730 1.00 0.00 ATOM 1442 N THR A 185 -0.925 112.305 16.592 1.00 0.00 ATOM 1443 CA THR A 185 -0.156 113.495 16.255 1.00 0.00 ATOM 1444 CB THR A 185 0.760 113.918 17.435 1.00 0.00 ATOM 1445 CG2 THR A 185 1.582 115.126 17.048 1.00 0.00 ATOM 1446 OG1 THR A 185 -0.056 114.233 18.562 1.00 0.00 ATOM 1447 O THR A 185 0.620 114.192 14.094 1.00 0.00 ATOM 1448 C THR A 185 0.650 113.327 14.969 1.00 0.00 ATOM 1449 N GLN A 186 1.369 112.196 14.865 1.00 0.00 ATOM 1450 CA GLN A 186 2.168 111.973 13.667 1.00 0.00 ATOM 1451 CB GLN A 186 3.027 110.715 13.834 1.00 0.00 ATOM 1452 CG GLN A 186 3.852 110.365 12.605 1.00 0.00 ATOM 1453 CD GLN A 186 4.784 111.487 12.194 1.00 0.00 ATOM 1454 OE1 GLN A 186 5.660 111.894 12.959 1.00 0.00 ATOM 1455 NE2 GLN A 186 4.599 111.997 10.982 1.00 0.00 ATOM 1456 O GLN A 186 1.606 112.461 11.387 1.00 0.00 ATOM 1457 C GLN A 186 1.314 111.842 12.411 1.00 0.00 ATOM 1458 N THR A 187 0.273 111.048 12.476 1.00 0.00 ATOM 1459 CA THR A 187 -0.623 110.826 11.351 1.00 0.00 ATOM 1460 CB THR A 187 -1.643 109.715 11.664 1.00 0.00 ATOM 1461 CG2 THR A 187 -2.615 109.534 10.502 1.00 0.00 ATOM 1462 OG1 THR A 187 -0.948 108.484 11.887 1.00 0.00 ATOM 1463 O THR A 187 -1.572 112.421 9.832 1.00 0.00 ATOM 1464 C THR A 187 -1.360 112.119 11.006 1.00 0.00 ATOM 1465 N LEU A 188 -1.784 112.867 12.023 1.00 0.00 ATOM 1466 CA LEU A 188 -2.483 114.125 11.783 1.00 0.00 ATOM 1467 CB LEU A 188 -2.925 114.771 13.101 1.00 0.00 ATOM 1468 CG LEU A 188 -4.075 114.146 13.891 1.00 0.00 ATOM 1469 CD1 LEU A 188 -4.299 114.961 15.159 1.00 0.00 ATOM 1470 CD2 LEU A 188 -5.347 114.120 13.049 1.00 0.00 ATOM 1471 O LEU A 188 -2.049 115.844 10.163 1.00 0.00 ATOM 1472 C LEU A 188 -1.584 115.098 11.025 1.00 0.00 ENDMDL EXPDTA 2i5tA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i5tA ATOM 1 N GLU 14 3.648 81.469 -14.433 1.00 0.00 ATOM 2 CA GLU 14 2.733 81.882 -15.557 1.00 0.00 ATOM 3 CB GLU 14 3.189 81.276 -16.887 1.00 0.00 ATOM 4 CG GLU 14 4.571 81.800 -17.366 1.00 0.00 ATOM 5 CD GLU 14 5.075 81.110 -18.641 1.00 0.00 ATOM 6 OE1 GLU 14 6.230 81.411 -19.063 1.00 0.00 ATOM 7 OE2 GLU 14 4.323 80.266 -19.228 1.00 0.00 ATOM 8 O GLU 14 0.378 82.435 -15.510 1.00 0.00 ATOM 9 C GLU 14 1.240 81.582 -15.277 1.00 0.00 ATOM 10 N GLU 15 0.943 80.387 -14.759 1.00 0.00 ATOM 11 CA GLU 15 -0.346 80.141 -14.121 1.00 0.00 ATOM 12 CB GLU 15 -0.740 78.670 -14.253 1.00 0.00 ATOM 13 CG GLU 15 -1.388 78.341 -15.600 1.00 0.00 ATOM 14 CD GLU 15 -2.062 76.979 -15.598 1.00 0.00 ATOM 15 OE1 GLU 15 -2.942 76.755 -14.726 1.00 0.00 ATOM 16 OE2 GLU 15 -1.712 76.141 -16.469 1.00 0.00 ATOM 17 O GLU 15 -1.366 80.517 -11.967 1.00 0.00 ATOM 18 C GLU 15 -0.326 80.518 -12.629 1.00 0.00 ATOM 19 N SER 16 0.859 80.850 -12.134 1.00 0.00 ATOM 20 CA SER 16 1.118 80.975 -10.699 1.00 0.00 ATOM 21 CB SER 16 2.206 79.984 -10.276 1.00 0.00 ATOM 22 OG SER 16 1.592 78.747 -9.929 1.00 0.00 ATOM 23 O SER 16 1.953 83.086 -11.284 1.00 0.00 ATOM 24 C SER 16 1.572 82.366 -10.386 1.00 0.00 ATOM 25 N PHE 17 1.553 82.749 -9.111 1.00 0.00 ATOM 26 CA PHE 17 2.183 84.016 -8.716 1.00 0.00 ATOM 27 CB PHE 17 1.158 85.161 -8.693 1.00 0.00 ATOM 28 CG PHE 17 0.221 85.103 -7.527 1.00 0.00 ATOM 29 CD1 PHE 17 -0.903 84.309 -7.571 1.00 0.00 ATOM 30 CD2 PHE 17 0.469 85.839 -6.367 1.00 0.00 ATOM 31 CE1 PHE 17 -1.749 84.250 -6.493 1.00 0.00 ATOM 32 CE2 PHE 17 -0.383 85.750 -5.276 1.00 0.00 ATOM 33 CZ PHE 17 -1.484 84.970 -5.339 1.00 0.00 ATOM 34 O PHE 17 2.713 82.916 -6.652 1.00 0.00 ATOM 35 C PHE 17 2.902 83.904 -7.367 1.00 0.00 ATOM 36 N LEU 18 3.727 84.923 -7.057 1.00 0.00 ATOM 37 CA LEU 18 4.483 84.993 -5.829 1.00 0.00 ATOM 38 CB LEU 18 5.998 85.142 -6.078 1.00 0.00 ATOM 39 CG LEU 18 6.598 84.122 -7.088 1.00 0.00 ATOM 40 CD1 LEU 18 8.016 84.480 -7.428 1.00 0.00 ATOM 41 CD2 LEU 18 6.479 82.678 -6.563 1.00 0.00 ATOM 42 O LEU 18 3.771 87.222 -5.345 1.00 0.00 ATOM 43 C LEU 18 3.974 86.092 -4.913 1.00 0.00 ATOM 44 N TYR 19 3.788 85.693 -3.661 1.00 0.00 ATOM 45 CA TYR 19 3.246 86.478 -2.586 1.00 0.00 ATOM 46 CB TYR 19 1.972 85.814 -2.080 1.00 0.00 ATOM 47 CG TYR 19 1.548 86.281 -0.696 1.00 0.00 ATOM 48 CD1 TYR 19 1.389 87.649 -0.407 1.00 0.00 ATOM 49 CD2 TYR 19 1.261 85.329 0.319 1.00 0.00 ATOM 50 CE1 TYR 19 1.004 88.083 0.888 1.00 0.00 ATOM 51 CE2 TYR 19 0.866 85.737 1.570 1.00 0.00 ATOM 52 CZ TYR 19 0.724 87.095 1.855 1.00 0.00 ATOM 53 OH TYR 19 0.347 87.472 3.117 1.00 0.00 ATOM 54 O TYR 19 4.716 85.586 -0.942 1.00 0.00 ATOM 55 C TYR 19 4.269 86.600 -1.472 1.00 0.00 ATOM 56 N PHE 20 4.604 87.834 -1.082 1.00 0.00 ATOM 57 CA PHE 20 5.593 88.095 -0.015 1.00 0.00 ATOM 58 CB PHE 20 6.543 89.249 -0.442 1.00 0.00 ATOM 59 CG PHE 20 7.543 89.667 0.632 1.00 0.00 ATOM 60 CD1 PHE 20 8.623 88.850 0.933 1.00 0.00 ATOM 61 CD2 PHE 20 7.398 90.873 1.341 1.00 0.00 ATOM 62 CE1 PHE 20 9.537 89.192 1.923 1.00 0.00 ATOM 63 CE2 PHE 20 8.362 91.262 2.327 1.00 0.00 ATOM 64 CZ PHE 20 9.421 90.414 2.606 1.00 0.00 ATOM 65 O PHE 20 4.230 89.558 1.406 1.00 0.00 ATOM 66 C PHE 20 4.875 88.487 1.291 1.00 0.00 ATOM 67 N ALA 21 5.006 87.626 2.278 1.00 0.00 ATOM 68 CA ALA 21 4.289 87.699 3.552 1.00 0.00 ATOM 69 CB ALA 21 3.693 86.307 3.909 1.00 0.00 ATOM 70 O ALA 21 6.379 87.553 4.677 1.00 0.00 ATOM 71 C ALA 21 5.294 88.113 4.614 1.00 0.00 ATOM 72 N TYR 22 4.939 89.085 5.443 1.00 0.00 ATOM 73 CA TYR 22 5.860 89.563 6.463 1.00 0.00 ATOM 74 CB TYR 22 6.385 90.958 6.086 1.00 0.00 ATOM 75 CG TYR 22 5.288 91.959 5.784 1.00 0.00 ATOM 76 CD1 TYR 22 4.597 92.574 6.828 1.00 0.00 ATOM 77 CD2 TYR 22 4.925 92.267 4.466 1.00 0.00 ATOM 78 CE1 TYR 22 3.577 93.511 6.585 1.00 0.00 ATOM 79 CE2 TYR 22 3.919 93.207 4.213 1.00 0.00 ATOM 80 CZ TYR 22 3.259 93.821 5.283 1.00 0.00 ATOM 81 OH TYR 22 2.252 94.739 5.078 1.00 0.00 ATOM 82 O TYR 22 5.818 89.959 8.796 1.00 0.00 ATOM 83 C TYR 22 5.188 89.588 7.821 1.00 0.00 ATOM 84 N GLY 23 3.893 89.227 7.862 1.00 0.00 ATOM 85 CA GLY 23 3.097 89.166 9.127 1.00 0.00 ATOM 86 O GLY 23 3.551 86.865 9.620 1.00 0.00 ATOM 87 C GLY 23 2.712 87.751 9.576 1.00 0.00 ATOM 88 N SER 24 1.437 87.521 9.905 1.00 0.00 ATOM 89 CA SER 24 1.004 86.237 10.422 1.00 0.00 ATOM 90 CB SER 24 -0.417 86.317 11.039 1.00 0.00 ATOM 91 OG SER 24 -1.359 86.739 10.044 1.00 0.00 ATOM 92 O SER 24 1.210 83.983 9.643 1.00 0.00 ATOM 93 C SER 24 1.114 85.155 9.324 1.00 0.00 ATOM 94 N ASN 25 1.139 85.536 8.035 1.00 0.00 ATOM 95 CA ASN 25 1.358 84.516 6.972 1.00 0.00 ATOM 96 CB ASN 25 0.736 84.908 5.598 1.00 0.00 ATOM 97 CG ASN 25 -0.802 84.871 5.601 1.00 0.00 ATOM 98 ND2 ASN 25 -1.400 85.669 4.737 1.00 0.00 ATOM 99 OD1 ASN 25 -1.436 84.158 6.378 1.00 0.00 ATOM 100 O ASN 25 3.161 83.347 5.823 1.00 0.00 ATOM 101 C ASN 25 2.815 84.020 6.808 1.00 0.00 ATOM 102 N LEU 26 3.683 84.424 7.725 1.00 0.00 ATOM 103 CA LEU 26 4.977 83.772 7.883 1.00 0.00 ATOM 104 CB LEU 26 5.815 84.470 8.956 1.00 0.00 ATOM 105 CG LEU 26 6.423 85.837 8.604 1.00 0.00 ATOM 106 CD1 LEU 26 7.120 86.521 9.807 1.00 0.00 ATOM 107 CD2 LEU 26 7.360 85.718 7.408 1.00 0.00 ATOM 108 O LEU 26 5.704 81.505 7.996 1.00 0.00 ATOM 109 C LEU 26 4.823 82.311 8.292 1.00 0.00 ATOM 110 N LEU 27 3.737 82.009 8.999 1.00 0.00 ATOM 111 CA LEU 27 3.544 80.714 9.663 1.00 0.00 ATOM 112 CB LEU 27 2.759 80.855 10.989 1.00 0.00 ATOM 113 CG LEU 27 2.535 79.531 11.777 1.00 0.00 ATOM 114 CD1 LEU 27 3.875 78.866 12.230 1.00 0.00 ATOM 115 CD2 LEU 27 1.672 79.764 12.969 1.00 0.00 ATOM 116 O LEU 27 1.681 80.267 8.248 1.00 0.00 ATOM 117 C LEU 27 2.756 79.856 8.690 1.00 0.00 ATOM 118 N THR 28 3.275 78.686 8.372 1.00 0.00 ATOM 119 CA THR 28 2.666 77.806 7.357 1.00 0.00 ATOM 120 CB THR 28 3.521 76.578 7.135 1.00 0.00 ATOM 121 CG2 THR 28 2.994 75.724 5.988 1.00 0.00 ATOM 122 OG1 THR 28 4.838 77.023 6.830 1.00 0.00 ATOM 123 O THR 28 0.409 77.261 6.847 1.00 0.00 ATOM 124 C THR 28 1.276 77.347 7.708 1.00 0.00 ATOM 125 N GLU 29 1.090 77.026 8.982 1.00 0.00 ATOM 126 CA GLU 29 -0.176 76.518 9.478 1.00 0.00 ATOM 127 CB GLU 29 -0.014 76.053 10.925 1.00 0.00 ATOM 128 CG GLU 29 0.778 74.736 11.059 1.00 0.00 ATOM 129 CD GLU 29 2.277 74.860 10.725 1.00 0.00 ATOM 130 OE1 GLU 29 2.901 75.916 10.991 1.00 0.00 ATOM 131 OE2 GLU 29 2.834 73.874 10.195 1.00 0.00 ATOM 132 O GLU 29 -2.410 77.382 9.115 1.00 0.00 ATOM 133 C GLU 29 -1.211 77.632 9.390 1.00 0.00 ATOM 134 N ARG 30 -0.750 78.858 9.613 1.00 0.00 ATOM 135 CA ARG 30 -1.633 80.014 9.503 1.00 0.00 ATOM 136 CB ARG 30 -1.017 81.239 10.206 1.00 0.00 ATOM 137 CG ARG 30 -1.714 82.563 9.868 1.00 0.00 ATOM 138 CD ARG 30 -3.112 82.616 10.408 1.00 0.00 ATOM 139 NE ARG 30 -3.830 83.768 9.863 1.00 0.00 ATOM 140 CZ ARG 30 -5.070 84.135 10.218 1.00 0.00 ATOM 141 NH1 ARG 30 -5.781 83.454 11.135 1.00 0.00 ATOM 142 NH2 ARG 30 -5.609 85.208 9.643 1.00 0.00 ATOM 143 O ARG 30 -3.273 80.426 7.800 1.00 0.00 ATOM 144 C ARG 30 -2.077 80.323 8.064 1.00 0.00 ATOM 145 N ILE 31 -1.135 80.502 7.138 1.00 0.00 ATOM 146 CA ILE 31 -1.522 80.710 5.736 1.00 0.00 ATOM 147 CB ILE 31 -0.297 81.056 4.806 1.00 0.00 ATOM 148 CG1 ILE 31 -0.757 81.673 3.458 1.00 0.00 ATOM 149 CG2 ILE 31 0.594 79.890 4.613 1.00 0.00 ATOM 150 CD1 ILE 31 0.418 82.093 2.554 1.00 0.00 ATOM 151 O ILE 31 -3.230 79.780 4.316 1.00 0.00 ATOM 152 C ILE 31 -2.356 79.557 5.157 1.00 0.00 ATOM 153 N HIS 32 -2.106 78.332 5.620 1.00 0.00 ATOM 154 CA HIS 32 -2.875 77.185 5.160 1.00 0.00 ATOM 155 CB HIS 32 -2.156 75.844 5.431 1.00 0.00 ATOM 156 CG HIS 32 -1.011 75.599 4.487 1.00 0.00 ATOM 157 CD2 HIS 32 -0.648 76.252 3.352 1.00 0.00 ATOM 158 ND1 HIS 32 -0.104 74.570 4.649 1.00 0.00 ATOM 159 CE1 HIS 32 0.767 74.602 3.650 1.00 0.00 ATOM 160 NE2 HIS 32 0.475 75.626 2.862 1.00 0.00 ATOM 161 O HIS 32 -5.112 76.444 4.980 1.00 0.00 ATOM 162 C HIS 32 -4.329 77.161 5.591 1.00 0.00 ATOM 163 N LEU 33 -4.706 77.953 6.600 1.00 0.00 ATOM 164 CA LEU 33 -6.120 78.011 7.020 1.00 0.00 ATOM 165 CB LEU 33 -6.336 79.007 8.195 1.00 0.00 ATOM 166 CG LEU 33 -5.735 78.538 9.540 1.00 0.00 ATOM 167 CD1 LEU 33 -5.874 79.585 10.659 1.00 0.00 ATOM 168 CD2 LEU 33 -6.332 77.176 9.998 1.00 0.00 ATOM 169 O LEU 33 -7.972 77.713 5.528 1.00 0.00 ATOM 170 C LEU 33 -7.011 78.405 5.843 1.00 0.00 ATOM 171 N ARG 34 -6.702 79.524 5.195 1.00 0.00 ATOM 172 CA ARG 34 -7.501 79.972 4.060 1.00 0.00 ATOM 173 CB ARG 34 -7.720 81.489 4.103 1.00 0.00 ATOM 174 CG ARG 34 -8.610 82.023 5.240 1.00 0.00 ATOM 175 CD ARG 34 -10.103 81.791 5.009 1.00 0.00 ATOM 176 NE ARG 34 -10.481 82.080 3.618 1.00 0.00 ATOM 177 CZ ARG 34 -10.928 83.249 3.161 1.00 0.00 ATOM 178 NH1 ARG 34 -11.093 84.301 3.978 1.00 0.00 ATOM 179 NH2 ARG 34 -11.229 83.355 1.866 1.00 0.00 ATOM 180 O ARG 34 -7.558 79.584 1.702 1.00 0.00 ATOM 181 C ARG 34 -6.869 79.585 2.720 1.00 0.00 ATOM 182 N ASN 35 -5.551 79.350 2.691 1.00 0.00 ATOM 183 CA ASN 35 -4.848 79.111 1.402 1.00 0.00 ATOM 184 CB ASN 35 -3.887 80.245 1.111 1.00 0.00 ATOM 185 CG ASN 35 -4.530 81.566 1.287 1.00 0.00 ATOM 186 ND2 ASN 35 -4.269 82.245 2.426 1.00 0.00 ATOM 187 OD1 ASN 35 -5.294 81.972 0.444 1.00 0.00 ATOM 188 O ASN 35 -2.843 77.833 1.519 1.00 0.00 ATOM 189 C ASN 35 -4.066 77.816 1.500 1.00 0.00 ATOM 190 N PRO 36 -4.785 76.689 1.606 1.00 0.00 ATOM 191 CA PRO 36 -4.124 75.429 1.871 1.00 0.00 ATOM 192 CB PRO 36 -5.299 74.462 2.054 1.00 0.00 ATOM 193 CG PRO 36 -6.383 75.037 1.373 1.00 0.00 ATOM 194 CD PRO 36 -6.242 76.516 1.530 1.00 0.00 ATOM 195 O PRO 36 -2.325 74.164 1.027 1.00 0.00 ATOM 196 C PRO 36 -3.187 74.992 0.775 1.00 0.00 ATOM 197 N SER 37 -3.311 75.575 -0.440 1.00 0.00 ATOM 198 CA SER 37 -2.439 75.193 -1.562 1.00 0.00 ATOM 199 CB SER 37 -3.249 75.123 -2.880 1.00 0.00 ATOM 200 OG SER 37 -3.625 76.422 -3.302 1.00 0.00 ATOM 201 O SER 37 -0.435 75.916 -2.720 1.00 0.00 ATOM 202 C SER 37 -1.186 76.078 -1.749 1.00 0.00 ATOM 203 N ALA 38 -0.954 77.025 -0.837 1.00 0.00 ATOM 204 CA ALA 38 0.232 77.888 -0.911 1.00 0.00 ATOM 205 CB ALA 38 0.152 78.957 0.153 1.00 0.00 ATOM 206 O ALA 38 1.425 76.218 0.287 1.00 0.00 ATOM 207 C ALA 38 1.459 77.013 -0.650 1.00 0.00 ATOM 208 N ALA 39 2.521 77.199 -1.438 1.00 0.00 ATOM 209 CA ALA 39 3.758 76.455 -1.325 1.00 0.00 ATOM 210 CB ALA 39 4.065 75.684 -2.619 1.00 0.00 ATOM 211 O ALA 39 5.108 78.452 -1.639 1.00 0.00 ATOM 212 C ALA 39 4.903 77.395 -0.984 1.00 0.00 ATOM 213 N PHE 40 5.617 77.047 0.087 1.00 0.00 ATOM 214 CA PHE 40 6.840 77.760 0.458 1.00 0.00 ATOM 215 CB PHE 40 7.611 77.025 1.576 1.00 0.00 ATOM 216 CG PHE 40 8.936 77.701 1.927 1.00 0.00 ATOM 217 CD1 PHE 40 8.964 78.797 2.765 1.00 0.00 ATOM 218 CD2 PHE 40 10.134 77.255 1.385 1.00 0.00 ATOM 219 CE1 PHE 40 10.156 79.457 3.071 1.00 0.00 ATOM 220 CE2 PHE 40 11.334 77.871 1.706 1.00 0.00 ATOM 221 CZ PHE 40 11.344 78.991 2.533 1.00 0.00 ATOM 222 O PHE 40 7.902 76.878 -1.504 1.00 0.00 ATOM 223 C PHE 40 7.708 77.870 -0.781 1.00 0.00 ATOM 224 N PHE 41 8.211 79.066 -1.050 1.00 0.00 ATOM 225 CA PHE 41 9.035 79.283 -2.218 1.00 0.00 ATOM 226 CB PHE 41 8.448 80.357 -3.134 1.00 0.00 ATOM 227 CG PHE 41 9.138 80.471 -4.456 1.00 0.00 ATOM 228 CD1 PHE 41 8.911 79.532 -5.450 1.00 0.00 ATOM 229 CD2 PHE 41 9.987 81.528 -4.721 1.00 0.00 ATOM 230 CE1 PHE 41 9.530 79.632 -6.728 1.00 0.00 ATOM 231 CE2 PHE 41 10.616 81.648 -5.960 1.00 0.00 ATOM 232 CZ PHE 41 10.379 80.690 -6.981 1.00 0.00 ATOM 233 O PHE 41 11.390 79.051 -2.074 1.00 0.00 ATOM 234 C PHE 41 10.403 79.708 -1.748 1.00 0.00 ATOM 235 N CYS 42 10.472 80.774 -0.940 1.00 0.00 ATOM 236 CA CYS 42 11.768 81.137 -0.387 1.00 0.00 ATOM 237 CB CYS 42 12.718 81.622 -1.495 1.00 0.00 ATOM 238 SG CYS 42 12.292 83.208 -2.150 1.00 0.00 ATOM 239 O CYS 42 10.648 82.768 0.969 1.00 0.00 ATOM 240 C CYS 42 11.690 82.130 0.733 1.00 0.00 ATOM 241 N VAL 43 12.797 82.262 1.457 1.00 0.00 ATOM 242 CA VAL 43 12.929 83.374 2.390 1.00 0.00 ATOM 243 CB VAL 43 13.770 82.929 3.580 1.00 0.00 ATOM 244 CG1 VAL 43 14.320 84.077 4.314 1.00 0.00 ATOM 245 CG2 VAL 43 12.956 81.949 4.463 1.00 0.00 ATOM 246 O VAL 43 14.598 84.356 0.969 1.00 0.00 ATOM 247 C VAL 43 13.608 84.555 1.664 1.00 0.00 ATOM 248 N ALA 44 13.125 85.775 1.893 1.00 0.00 ATOM 249 CA ALA 44 13.665 86.958 1.192 1.00 0.00 ATOM 250 CB ALA 44 12.909 87.187 -0.099 1.00 0.00 ATOM 251 O ALA 44 12.910 88.322 2.989 1.00 0.00 ATOM 252 C ALA 44 13.648 88.224 2.010 1.00 0.00 ATOM 253 N ARG 45 14.436 89.194 1.565 1.00 0.00 ATOM 254 CA ARG 45 14.626 90.468 2.256 1.00 0.00 ATOM 255 CB ARG 45 16.126 90.681 2.576 1.00 0.00 ATOM 256 CG ARG 45 16.367 91.969 3.340 1.00 0.00 ATOM 257 CD ARG 45 17.840 92.166 3.726 1.00 0.00 ATOM 258 NE ARG 45 18.700 92.449 2.600 1.00 0.00 ATOM 259 CZ ARG 45 20.039 92.369 2.644 1.00 0.00 ATOM 260 NH1 ARG 45 20.666 91.968 3.766 1.00 0.00 ATOM 261 NH2 ARG 45 20.767 92.687 1.555 1.00 0.00 ATOM 262 O ARG 45 14.468 91.715 0.226 1.00 0.00 ATOM 263 C ARG 45 14.125 91.625 1.402 1.00 0.00 ATOM 264 N LEU 46 13.273 92.463 1.971 1.00 0.00 ATOM 265 CA LEU 46 12.815 93.677 1.319 1.00 0.00 ATOM 266 CB LEU 46 11.325 93.948 1.609 1.00 0.00 ATOM 267 CG LEU 46 10.665 95.173 1.000 1.00 0.00 ATOM 268 CD1 LEU 46 10.825 95.190 -0.536 1.00 0.00 ATOM 269 CD2 LEU 46 9.139 95.124 1.345 1.00 0.00 ATOM 270 O LEU 46 13.541 95.123 3.088 1.00 0.00 ATOM 271 C LEU 46 13.629 94.810 1.891 1.00 0.00 ATOM 272 N GLN 47 14.400 95.445 1.022 1.00 0.00 ATOM 273 CA GLN 47 15.284 96.517 1.426 1.00 0.00 ATOM 274 CB GLN 47 16.395 96.684 0.394 1.00 0.00 ATOM 275 CG GLN 47 17.427 97.687 0.851 1.00 0.00 ATOM 276 CD GLN 47 18.761 97.534 0.182 1.00 0.00 ATOM 277 OE1 GLN 47 19.367 96.457 0.225 1.00 0.00 ATOM 278 NE2 GLN 47 19.256 98.624 -0.418 1.00 0.00 ATOM 279 O GLN 47 13.594 98.136 0.857 1.00 0.00 ATOM 280 C GLN 47 14.532 97.840 1.597 1.00 0.00 ATOM 281 N ASP 48 14.959 98.628 2.576 1.00 0.00 ATOM 282 CA ASP 48 14.504 100.031 2.692 1.00 0.00 ATOM 283 CB ASP 48 14.876 100.891 1.463 1.00 0.00 ATOM 284 CG ASP 48 16.375 101.274 1.441 1.00 0.00 ATOM 285 OD1 ASP 48 17.056 101.195 2.489 1.00 0.00 ATOM 286 OD2 ASP 48 16.887 101.653 0.371 1.00 0.00 ATOM 287 O ASP 48 12.351 100.992 2.572 1.00 0.00 ATOM 288 C ASP 48 13.020 100.073 2.991 1.00 0.00 ATOM 289 N PHE 49 12.531 99.061 3.723 1.00 0.00 ATOM 290 CA PHE 49 11.195 99.078 4.314 1.00 0.00 ATOM 291 CB PHE 49 10.287 98.010 3.683 1.00 0.00 ATOM 292 CG PHE 49 9.661 98.439 2.381 1.00 0.00 ATOM 293 CD1 PHE 49 10.401 98.418 1.191 1.00 0.00 ATOM 294 CD2 PHE 49 8.353 98.856 2.340 1.00 0.00 ATOM 295 CE1 PHE 49 9.818 98.772 -0.036 1.00 0.00 ATOM 296 CE2 PHE 49 7.756 99.235 1.127 1.00 0.00 ATOM 297 CZ PHE 49 8.499 99.169 -0.068 1.00 0.00 ATOM 298 O PHE 49 12.220 98.111 6.219 1.00 0.00 ATOM 299 C PHE 49 11.301 98.799 5.796 1.00 0.00 ATOM 300 N LYS 50 10.377 99.382 6.572 1.00 0.00 ATOM 301 CA LYS 50 10.321 99.179 8.014 1.00 0.00 ATOM 302 CB LYS 50 10.485 100.511 8.763 1.00 0.00 ATOM 303 CG LYS 50 10.613 100.359 10.301 1.00 0.00 ATOM 304 CD LYS 50 10.907 101.733 10.922 1.00 0.00 ATOM 305 CE LYS 50 11.103 101.659 12.456 1.00 0.00 ATOM 306 NZ LYS 50 12.145 100.667 12.878 1.00 0.00 ATOM 307 O LYS 50 7.950 98.969 7.907 1.00 0.00 ATOM 308 C LYS 50 8.998 98.524 8.379 1.00 0.00 ATOM 309 N LEU 51 9.058 97.492 9.239 1.00 0.00 ATOM 310 CA LEU 51 7.867 96.859 9.814 1.00 0.00 ATOM 311 CB LEU 51 8.247 95.512 10.429 1.00 0.00 ATOM 312 CG LEU 51 7.088 94.660 10.946 1.00 0.00 ATOM 313 CD1 LEU 51 6.226 94.159 9.786 1.00 0.00 ATOM 314 CD2 LEU 51 7.664 93.457 11.747 1.00 0.00 ATOM 315 O LEU 51 7.875 98.299 11.756 1.00 0.00 ATOM 316 C LEU 51 7.200 97.750 10.899 1.00 0.00 ATOM 317 N ASP 52 5.872 97.838 10.883 1.00 0.00 ATOM 318 CA ASP 52 5.148 98.588 11.884 1.00 0.00 ATOM 319 CB ASP 52 4.797 99.997 11.337 1.00 0.00 ATOM 320 CG ASP 52 4.282 100.957 12.439 1.00 0.00 ATOM 321 OD1 ASP 52 4.395 100.614 13.648 1.00 0.00 ATOM 322 OD2 ASP 52 3.774 102.049 12.084 1.00 0.00 ATOM 323 O ASP 52 3.652 96.730 11.564 1.00 0.00 ATOM 324 C ASP 52 3.900 97.774 12.182 1.00 0.00 ATOM 325 N PHE 53 3.140 98.220 13.172 1.00 0.00 ATOM 326 CA PHE 53 1.867 97.599 13.533 1.00 0.00 ATOM 327 CB PHE 53 2.036 96.742 14.799 1.00 0.00 ATOM 328 CG PHE 53 2.939 95.576 14.585 1.00 0.00 ATOM 329 CD1 PHE 53 4.325 95.718 14.696 1.00 0.00 ATOM 330 CD2 PHE 53 2.413 94.356 14.197 1.00 0.00 ATOM 331 CE1 PHE 53 5.147 94.639 14.458 1.00 0.00 ATOM 332 CE2 PHE 53 3.244 93.277 13.939 1.00 0.00 ATOM 333 CZ PHE 53 4.618 93.427 14.080 1.00 0.00 ATOM 334 O PHE 53 1.110 99.709 14.371 1.00 0.00 ATOM 335 C PHE 53 0.825 98.665 13.777 1.00 0.00 ATOM 336 N GLY 54 -0.402 98.408 13.354 1.00 0.00 ATOM 337 CA GLY 54 -1.343 99.502 13.420 1.00 0.00 ATOM 338 O GLY 54 -3.121 97.995 12.898 1.00 0.00 ATOM 339 C GLY 54 -2.776 99.132 13.230 1.00 0.00 ATOM 340 N ASN 55 -3.600 100.136 13.436 1.00 0.00 ATOM 341 CA ASN 55 -5.021 100.013 13.354 1.00 0.00 ATOM 342 CB ASN 55 -5.606 100.718 14.597 1.00 0.00 ATOM 343 CG ASN 55 -5.342 99.959 15.909 1.00 0.00 ATOM 344 ND2 ASN 55 -5.361 100.691 17.002 1.00 0.00 ATOM 345 OD1 ASN 55 -5.154 98.743 15.937 1.00 0.00 ATOM 346 O ASN 55 -5.529 101.948 12.004 1.00 0.00 ATOM 347 C ASN 55 -5.510 100.719 12.075 1.00 0.00 ATOM 348 N SER 56 -5.879 99.946 11.066 1.00 0.00 ATOM 349 CA SER 56 -6.357 100.523 9.810 1.00 0.00 ATOM 350 CB SER 56 -6.718 99.432 8.806 1.00 0.00 ATOM 351 OG SER 56 -7.877 99.851 8.078 1.00 0.00 ATOM 352 O SER 56 -8.563 100.943 10.599 1.00 0.00 ATOM 353 C SER 56 -7.601 101.385 9.992 1.00 0.00 ATOM 354 N GLN 57 -7.570 102.595 9.431 1.00 0.00 ATOM 355 CA GLN 57 -8.636 103.606 9.601 1.00 0.00 ATOM 356 CB GLN 57 -9.897 103.304 8.757 1.00 0.00 ATOM 357 CG GLN 57 -9.677 102.703 7.348 1.00 0.00 ATOM 358 CD GLN 57 -9.261 103.726 6.273 1.00 0.00 ATOM 359 OE1 GLN 57 -9.213 104.939 6.514 1.00 0.00 ATOM 360 NE2 GLN 57 -8.955 103.222 5.075 1.00 0.00 ATOM 361 O GLN 57 -10.201 103.996 11.387 1.00 0.00 ATOM 362 C GLN 57 -9.028 103.781 11.076 1.00 0.00 ATOM 363 N GLY 58 -8.043 103.670 11.974 1.00 0.00 ATOM 364 CA GLY 58 -8.276 103.796 13.404 1.00 0.00 ATOM 365 O GLY 58 -9.229 102.740 15.313 1.00 0.00 ATOM 366 C GLY 58 -9.016 102.667 14.105 1.00 0.00 ATOM 367 N LYS 59 -9.425 101.643 13.374 1.00 0.00 ATOM 368 CA LYS 59 -10.228 100.542 13.949 1.00 0.00 ATOM 369 CB LYS 59 -11.155 99.941 12.885 1.00 0.00 ATOM 370 CG LYS 59 -12.116 100.896 12.180 1.00 0.00 ATOM 371 CD LYS 59 -12.735 100.150 10.957 1.00 0.00 ATOM 372 CE LYS 59 -13.995 100.832 10.448 1.00 0.00 ATOM 373 NZ LYS 59 -14.328 100.414 9.060 1.00 0.00 ATOM 374 O LYS 59 -8.437 98.978 13.757 1.00 0.00 ATOM 375 C LYS 59 -9.334 99.411 14.466 1.00 0.00 ATOM 376 N THR 60 -9.572 98.936 15.694 1.00 0.00 ATOM 377 CA THR 60 -8.840 97.775 16.229 1.00 0.00 ATOM 378 CB THR 60 -8.825 97.739 17.798 1.00 0.00 ATOM 379 CG2 THR 60 -8.031 96.534 18.329 1.00 0.00 ATOM 380 OG1 THR 60 -8.206 98.932 18.296 1.00 0.00 ATOM 381 O THR 60 -10.547 96.166 15.734 1.00 0.00 ATOM 382 C THR 60 -9.361 96.451 15.654 1.00 0.00 ATOM 383 N SER 61 -8.464 95.659 15.064 1.00 0.00 ATOM 384 CA SER 61 -8.795 94.316 14.565 1.00 0.00 ATOM 385 CB SER 61 -7.536 93.558 14.148 1.00 0.00 ATOM 386 OG SER 61 -7.788 92.162 14.046 1.00 0.00 ATOM 387 O SER 61 -9.015 93.314 16.747 1.00 0.00 ATOM 388 C SER 61 -9.521 93.482 15.620 1.00 0.00 ATOM 389 N GLN 62 -10.694 92.966 15.251 1.00 0.00 ATOM 390 CA GLN 62 -11.482 92.123 16.169 1.00 0.00 ATOM 391 CB GLN 62 -12.997 92.334 15.965 1.00 0.00 ATOM 392 CG GLN 62 -13.492 93.748 16.391 1.00 0.00 ATOM 393 CD GLN 62 -13.084 94.152 17.830 1.00 0.00 ATOM 394 OE1 GLN 62 -13.592 93.604 18.822 1.00 0.00 ATOM 395 NE2 GLN 62 -12.186 95.134 17.936 1.00 0.00 ATOM 396 O GLN 62 -11.563 89.818 16.778 1.00 0.00 ATOM 397 C GLN 62 -11.101 90.658 16.039 1.00 0.00 ATOM 398 N THR 63 -10.230 90.359 15.089 1.00 0.00 ATOM 399 CA THR 63 -9.599 89.056 15.043 1.00 0.00 ATOM 400 CB THR 63 -9.211 88.720 13.607 1.00 0.00 ATOM 401 CG2 THR 63 -8.462 87.374 13.532 1.00 0.00 ATOM 402 OG1 THR 63 -10.413 88.654 12.831 1.00 0.00 ATOM 403 O THR 63 -8.254 88.053 16.785 1.00 0.00 ATOM 404 C THR 63 -8.368 88.983 15.974 1.00 0.00 ATOM 405 N TRP 64 -7.480 89.975 15.867 1.00 0.00 ATOM 406 CA TRP 64 -6.199 89.962 16.558 1.00 0.00 ATOM 407 CB TRP 64 -5.107 90.466 15.622 1.00 0.00 ATOM 408 CG TRP 64 -4.928 89.530 14.497 1.00 0.00 ATOM 409 CD1 TRP 64 -5.304 89.710 13.180 1.00 0.00 ATOM 410 CD2 TRP 64 -4.394 88.218 14.590 1.00 0.00 ATOM 411 CE2 TRP 64 -4.411 87.663 13.288 1.00 0.00 ATOM 412 CE3 TRP 64 -3.840 87.469 15.645 1.00 0.00 ATOM 413 NE1 TRP 64 -5.002 88.579 12.454 1.00 0.00 ATOM 414 CZ2 TRP 64 -3.916 86.384 13.014 1.00 0.00 ATOM 415 CZ3 TRP 64 -3.346 86.192 15.369 1.00 0.00 ATOM 416 CH2 TRP 64 -3.381 85.674 14.059 1.00 0.00 ATOM 417 O TRP 64 -5.196 90.599 18.610 1.00 0.00 ATOM 418 C TRP 64 -6.138 90.767 17.838 1.00 0.00 ATOM 419 N HIS 65 -7.130 91.625 18.057 1.00 0.00 ATOM 420 CA HIS 65 -7.185 92.501 19.232 1.00 0.00 ATOM 421 CB HIS 65 -7.627 91.701 20.483 1.00 0.00 ATOM 422 CG HIS 65 -8.934 91.008 20.291 1.00 0.00 ATOM 423 CD2 HIS 65 -10.200 91.481 20.290 1.00 0.00 ATOM 424 ND1 HIS 65 -9.025 89.668 19.981 1.00 0.00 ATOM 425 CE1 HIS 65 -10.297 89.337 19.834 1.00 0.00 ATOM 426 NE2 HIS 65 -11.028 90.426 19.995 1.00 0.00 ATOM 427 O HIS 65 -5.449 93.485 20.595 1.00 0.00 ATOM 428 C HIS 65 -5.902 93.323 19.472 1.00 0.00 ATOM 429 N GLY 66 -5.322 93.832 18.394 1.00 0.00 ATOM 430 CA GLY 66 -4.106 94.645 18.475 1.00 0.00 ATOM 431 O GLY 66 -4.426 94.827 16.118 1.00 0.00 ATOM 432 C GLY 66 -3.747 95.155 17.089 1.00 0.00 ATOM 433 N GLY 67 -2.660 95.915 16.986 1.00 0.00 ATOM 434 CA GLY 67 -2.171 96.334 15.677 1.00 0.00 ATOM 435 O GLY 67 -1.291 94.128 15.273 1.00 0.00 ATOM 436 C GLY 67 -1.826 95.125 14.810 1.00 0.00 ATOM 437 N ILE 68 -2.116 95.221 13.526 1.00 0.00 ATOM 438 CA ILE 68 -1.705 94.177 12.610 1.00 0.00 ATOM 439 CB ILE 68 -2.921 93.640 11.843 1.00 0.00 ATOM 440 CG1 ILE 68 -3.639 94.755 11.100 1.00 0.00 ATOM 441 CG2 ILE 68 -3.881 92.930 12.842 1.00 0.00 ATOM 442 CD1 ILE 68 -4.730 94.273 10.079 1.00 0.00 ATOM 443 O ILE 68 -0.360 95.956 11.686 1.00 0.00 ATOM 444 C ILE 68 -0.566 94.738 11.722 1.00 0.00 ATOM 445 N ALA 69 0.151 93.859 11.002 1.00 0.00 ATOM 446 CA ALA 69 1.425 94.241 10.386 1.00 0.00 ATOM 447 CB ALA 69 2.246 93.024 10.045 1.00 0.00 ATOM 448 O ALA 69 0.283 95.000 8.420 1.00 0.00 ATOM 449 C ALA 69 1.244 95.134 9.141 1.00 0.00 ATOM 450 N THR 70 2.174 96.073 8.939 1.00 0.00 ATOM 451 CA THR 70 2.269 96.797 7.693 1.00 0.00 ATOM 452 CB THR 70 1.342 98.039 7.710 1.00 0.00 ATOM 453 CG2 THR 70 1.734 98.997 8.847 1.00 0.00 ATOM 454 OG1 THR 70 1.352 98.708 6.430 1.00 0.00 ATOM 455 O THR 70 4.553 96.940 8.382 1.00 0.00 ATOM 456 C THR 70 3.723 97.155 7.489 1.00 0.00 ATOM 457 N ILE 71 4.032 97.748 6.330 1.00 0.00 ATOM 458 CA ILE 71 5.395 98.142 6.040 1.00 0.00 ATOM 459 CB ILE 71 6.140 97.102 5.125 1.00 0.00 ATOM 460 CG1 ILE 71 5.302 96.690 3.894 1.00 0.00 ATOM 461 CG2 ILE 71 6.487 95.823 5.897 1.00 0.00 ATOM 462 CD1 ILE 71 6.071 95.773 2.918 1.00 0.00 ATOM 463 O ILE 71 4.361 99.863 4.724 1.00 0.00 ATOM 464 C ILE 71 5.331 99.507 5.400 1.00 0.00 ATOM 465 N PHE 72 6.386 100.272 5.590 1.00 0.00 ATOM 466 CA PHE 72 6.504 101.527 4.856 1.00 0.00 ATOM 467 CB PHE 72 5.944 102.731 5.655 1.00 0.00 ATOM 468 CG PHE 72 6.635 102.983 6.973 1.00 0.00 ATOM 469 CD1 PHE 72 7.832 103.688 7.036 1.00 0.00 ATOM 470 CD2 PHE 72 6.060 102.570 8.157 1.00 0.00 ATOM 471 CE1 PHE 72 8.470 103.906 8.279 1.00 0.00 ATOM 472 CE2 PHE 72 6.681 102.817 9.388 1.00 0.00 ATOM 473 CZ PHE 72 7.878 103.488 9.442 1.00 0.00 ATOM 474 O PHE 72 8.873 101.153 5.066 1.00 0.00 ATOM 475 C PHE 72 7.978 101.723 4.456 1.00 0.00 ATOM 476 N GLN 73 8.212 102.564 3.454 1.00 0.00 ATOM 477 CA GLN 73 9.559 102.850 2.957 1.00 0.00 ATOM 478 CB GLN 73 9.452 103.556 1.608 1.00 0.00 ATOM 479 CG GLN 73 8.926 102.594 0.557 1.00 0.00 ATOM 480 CD GLN 73 8.329 103.313 -0.634 1.00 0.00 ATOM 481 OE1 GLN 73 7.376 104.073 -0.496 1.00 0.00 ATOM 482 NE2 GLN 73 8.887 103.066 -1.807 1.00 0.00 ATOM 483 O GLN 73 9.862 104.692 4.451 1.00 0.00 ATOM 484 C GLN 73 10.361 103.701 3.928 1.00 0.00 ATOM 485 N SER 74 11.617 103.307 4.143 1.00 0.00 ATOM 486 CA SER 74 12.472 103.852 5.198 1.00 0.00 ATOM 487 CB SER 74 11.993 103.321 6.566 1.00 0.00 ATOM 488 OG SER 74 12.723 103.855 7.668 1.00 0.00 ATOM 489 O SER 74 14.269 102.253 5.146 1.00 0.00 ATOM 490 C SER 74 13.912 103.384 4.894 1.00 0.00 ATOM 491 N PRO 75 14.716 104.246 4.256 1.00 0.00 ATOM 492 CA PRO 75 16.086 103.925 3.881 1.00 0.00 ATOM 493 CB PRO 75 16.612 105.266 3.361 1.00 0.00 ATOM 494 CG PRO 75 15.399 105.831 2.655 1.00 0.00 ATOM 495 CD PRO 75 14.326 105.573 3.726 1.00 0.00 ATOM 496 O PRO 75 16.747 103.908 6.185 1.00 0.00 ATOM 497 C PRO 75 16.884 103.411 5.070 1.00 0.00 ATOM 498 N GLY 76 17.621 102.329 4.850 1.00 0.00 ATOM 499 CA GLY 76 18.454 101.801 5.918 1.00 0.00 ATOM 500 O GLY 76 18.478 99.880 7.297 1.00 0.00 ATOM 501 C GLY 76 17.788 100.706 6.699 1.00 0.00 ATOM 502 N ASP 77 16.453 100.661 6.668 1.00 0.00 ATOM 503 CA ASP 77 15.703 99.580 7.313 1.00 0.00 ATOM 504 CB ASP 77 14.355 100.112 7.798 1.00 0.00 ATOM 505 CG ASP 77 14.495 101.035 9.018 1.00 0.00 ATOM 506 OD1 ASP 77 14.990 100.557 10.063 1.00 0.00 ATOM 507 OD2 ASP 77 14.134 102.234 8.919 1.00 0.00 ATOM 508 O ASP 77 15.692 98.405 5.170 1.00 0.00 ATOM 509 C ASP 77 15.508 98.344 6.406 1.00 0.00 ATOM 510 N GLU 78 15.161 97.205 7.005 1.00 0.00 ATOM 511 CA GLU 78 14.803 96.016 6.186 1.00 0.00 ATOM 512 CB GLU 78 16.008 95.097 5.900 1.00 0.00 ATOM 513 CG GLU 78 16.554 94.391 7.095 1.00 0.00 ATOM 514 CD GLU 78 17.938 93.805 6.828 1.00 0.00 ATOM 515 OE1 GLU 78 18.697 94.388 6.004 1.00 0.00 ATOM 516 OE2 GLU 78 18.260 92.766 7.455 1.00 0.00 ATOM 517 O GLU 78 13.497 95.316 8.036 1.00 0.00 ATOM 518 C GLU 78 13.696 95.227 6.824 1.00 0.00 ATOM 519 N VAL 79 12.943 94.502 5.981 1.00 0.00 ATOM 520 CA VAL 79 11.914 93.587 6.419 1.00 0.00 ATOM 521 CB VAL 79 10.500 94.051 5.964 1.00 0.00 ATOM 522 CG1 VAL 79 9.413 92.962 6.225 1.00 0.00 ATOM 523 CG2 VAL 79 10.103 95.349 6.659 1.00 0.00 ATOM 524 O VAL 79 12.370 92.145 4.510 1.00 0.00 ATOM 525 C VAL 79 12.233 92.243 5.759 1.00 0.00 ATOM 526 N TRP 80 12.355 91.208 6.576 1.00 0.00 ATOM 527 CA TRP 80 12.429 89.843 6.044 1.00 0.00 ATOM 528 CB TRP 80 13.422 89.008 6.866 1.00 0.00 ATOM 529 CG TRP 80 14.870 89.360 6.600 1.00 0.00 ATOM 530 CD1 TRP 80 15.588 90.350 7.178 1.00 0.00 ATOM 531 CD2 TRP 80 15.757 88.687 5.701 1.00 0.00 ATOM 532 CE2 TRP 80 17.017 89.335 5.798 1.00 0.00 ATOM 533 CE3 TRP 80 15.607 87.599 4.820 1.00 0.00 ATOM 534 NE1 TRP 80 16.876 90.348 6.708 1.00 0.00 ATOM 535 CZ2 TRP 80 18.130 88.942 5.041 1.00 0.00 ATOM 536 CZ3 TRP 80 16.721 87.201 4.059 1.00 0.00 ATOM 537 CH2 TRP 80 17.958 87.889 4.167 1.00 0.00 ATOM 538 O TRP 80 10.191 89.375 6.875 1.00 0.00 ATOM 539 C TRP 80 11.071 89.149 6.000 1.00 0.00 ATOM 540 N GLY 81 10.886 88.267 5.015 1.00 0.00 ATOM 541 CA GLY 81 9.653 87.472 4.990 1.00 0.00 ATOM 542 O GLY 81 10.806 85.775 3.764 1.00 0.00 ATOM 543 C GLY 81 9.733 86.198 4.205 1.00 0.00 ATOM 544 N VAL 82 8.573 85.577 4.035 1.00 0.00 ATOM 545 CA VAL 82 8.458 84.341 3.272 1.00 0.00 ATOM 546 CB VAL 82 7.690 83.204 4.083 1.00 0.00 ATOM 547 CG1 VAL 82 7.387 81.955 3.198 1.00 0.00 ATOM 548 CG2 VAL 82 8.494 82.816 5.354 1.00 0.00 ATOM 549 O VAL 82 6.676 85.337 2.004 1.00 0.00 ATOM 550 C VAL 82 7.743 84.667 1.981 1.00 0.00 ATOM 551 N VAL 83 8.328 84.218 0.874 1.00 0.00 ATOM 552 CA VAL 83 7.665 84.240 -0.454 1.00 0.00 ATOM 553 CB VAL 83 8.722 84.427 -1.606 1.00 0.00 ATOM 554 CG1 VAL 83 8.057 84.407 -2.999 1.00 0.00 ATOM 555 CG2 VAL 83 9.511 85.687 -1.419 1.00 0.00 ATOM 556 O VAL 83 7.513 81.848 -0.500 1.00 0.00 ATOM 557 C VAL 83 6.918 82.913 -0.649 1.00 0.00 ATOM 558 N TRP 84 5.609 82.977 -0.908 1.00 0.00 ATOM 559 CA TRP 84 4.779 81.791 -1.142 1.00 0.00 ATOM 560 CB TRP 84 3.478 81.877 -0.357 1.00 0.00 ATOM 561 CG TRP 84 3.708 81.953 1.120 1.00 0.00 ATOM 562 CD1 TRP 84 3.777 83.086 1.889 1.00 0.00 ATOM 563 CD2 TRP 84 3.915 80.849 1.999 1.00 0.00 ATOM 564 CE2 TRP 84 4.091 81.378 3.301 1.00 0.00 ATOM 565 CE3 TRP 84 3.894 79.446 1.825 1.00 0.00 ATOM 566 NE1 TRP 84 4.010 82.746 3.216 1.00 0.00 ATOM 567 CZ2 TRP 84 4.300 80.563 4.414 1.00 0.00 ATOM 568 CZ3 TRP 84 4.100 78.650 2.932 1.00 0.00 ATOM 569 CH2 TRP 84 4.304 79.228 4.222 1.00 0.00 ATOM 570 O TRP 84 4.195 82.763 -3.214 1.00 0.00 ATOM 571 C TRP 84 4.396 81.721 -2.600 1.00 0.00 ATOM 572 N LYS 85 4.309 80.510 -3.167 1.00 0.00 ATOM 573 CA LYS 85 3.836 80.401 -4.538 1.00 0.00 ATOM 574 CB LYS 85 4.714 79.412 -5.326 1.00 0.00 ATOM 575 CG LYS 85 4.393 79.302 -6.793 1.00 0.00 ATOM 576 CD LYS 85 5.407 78.353 -7.436 1.00 0.00 ATOM 577 CE LYS 85 5.066 78.014 -8.864 1.00 0.00 ATOM 578 NZ LYS 85 6.309 77.898 -9.713 1.00 0.00 ATOM 579 O LYS 85 2.055 78.998 -3.853 1.00 0.00 ATOM 580 C LYS 85 2.375 79.944 -4.517 1.00 0.00 ATOM 581 N MET 86 1.508 80.616 -5.260 1.00 0.00 ATOM 582 CA MET 86 0.085 80.250 -5.296 1.00 0.00 ATOM 583 CB MET 86 -0.711 81.208 -4.448 1.00 0.00 ATOM 584 CG MET 86 -0.628 80.919 -2.955 1.00 0.00 ATOM 585 SD MET 86 -1.437 82.361 -1.942 1.00 0.00 ATOM 586 CE MET 86 -0.223 83.499 -2.196 1.00 0.00 ATOM 587 O MET 86 0.146 80.924 -7.586 1.00 0.00 ATOM 588 C MET 86 -0.464 80.302 -6.712 1.00 0.00 ATOM 589 N ASN 87 -1.600 79.633 -6.949 1.00 0.00 ATOM 590 CA ASN 87 -2.217 79.738 -8.263 1.00 0.00 ATOM 591 CB ASN 87 -3.254 78.638 -8.517 1.00 0.00 ATOM 592 CG ASN 87 -3.627 78.532 -10.004 1.00 0.00 ATOM 593 ND2 ASN 87 -3.107 77.501 -10.664 1.00 0.00 ATOM 594 OD1 ASN 87 -4.338 79.384 -10.558 1.00 0.00 ATOM 595 O ASN 87 -3.434 81.616 -7.435 1.00 0.00 ATOM 596 C ASN 87 -2.848 81.106 -8.400 1.00 0.00 ATOM 597 N LYS 88 -2.712 81.689 -9.590 1.00 0.00 ATOM 598 CA LYS 88 -3.377 82.950 -9.939 1.00 0.00 ATOM 599 CB LYS 88 -3.044 83.394 -11.372 1.00 0.00 ATOM 600 CG LYS 88 -1.783 84.237 -11.497 1.00 0.00 ATOM 601 CD LYS 88 -1.512 84.547 -12.964 1.00 0.00 ATOM 602 CE LYS 88 -0.236 85.339 -13.181 1.00 0.00 ATOM 603 NZ LYS 88 0.327 85.052 -14.540 1.00 0.00 ATOM 604 O LYS 88 -5.529 83.880 -9.530 1.00 0.00 ATOM 605 C LYS 88 -4.889 82.867 -9.749 1.00 0.00 ATOM 606 N SER 89 -5.458 81.667 -9.778 1.00 0.00 ATOM 607 CA SER 89 -6.878 81.523 -9.407 1.00 0.00 ATOM 608 CB SER 89 -7.287 80.080 -9.528 1.00 0.00 ATOM 609 OG SER 89 -6.718 79.340 -8.456 1.00 0.00 ATOM 610 O SER 89 -8.378 82.392 -7.690 1.00 0.00 ATOM 611 C SER 89 -7.224 82.012 -7.971 1.00 0.00 ATOM 612 N ASN 90 -6.213 81.997 -7.100 1.00 0.00 ATOM 613 CA ASN 90 -6.328 82.328 -5.680 1.00 0.00 ATOM 614 CB ASN 90 -5.271 81.527 -4.886 1.00 0.00 ATOM 615 CG ASN 90 -5.505 81.545 -3.387 1.00 0.00 ATOM 616 ND2 ASN 90 -6.189 80.530 -2.877 1.00 0.00 ATOM 617 OD1 ASN 90 -5.041 82.439 -2.691 1.00 0.00 ATOM 618 O ASN 90 -6.376 84.317 -4.327 1.00 0.00 ATOM 619 C ASN 90 -6.181 83.832 -5.441 1.00 0.00 ATOM 620 N LEU 91 -5.875 84.569 -6.505 1.00 0.00 ATOM 621 CA LEU 91 -5.567 86.014 -6.425 1.00 0.00 ATOM 622 CB LEU 91 -5.248 86.528 -7.826 1.00 0.00 ATOM 623 CG LEU 91 -4.169 87.552 -8.228 1.00 0.00 ATOM 624 CD1 LEU 91 -2.830 87.473 -7.490 1.00 0.00 ATOM 625 CD2 LEU 91 -3.942 87.511 -9.768 1.00 0.00 ATOM 626 O LEU 91 -6.428 87.668 -4.832 1.00 0.00 ATOM 627 C LEU 91 -6.685 86.874 -5.776 1.00 0.00 ATOM 628 N ASN 92 -7.926 86.687 -6.240 1.00 0.00 ATOM 629 CA ASN 92 -9.076 87.374 -5.633 1.00 0.00 ATOM 630 CB ASN 92 -10.380 87.151 -6.426 1.00 0.00 ATOM 631 CG ASN 92 -10.377 87.863 -7.765 1.00 0.00 ATOM 632 ND2 ASN 92 -11.030 87.253 -8.741 1.00 0.00 ATOM 633 OD1 ASN 92 -9.789 88.949 -7.926 1.00 0.00 ATOM 634 O ASN 92 -9.635 87.871 -3.401 1.00 0.00 ATOM 635 C ASN 92 -9.309 87.005 -4.205 1.00 0.00 ATOM 636 N SER 93 -9.185 85.721 -3.880 1.00 0.00 ATOM 637 CA SER 93 -9.359 85.310 -2.509 1.00 0.00 ATOM 638 CB SER 93 -9.175 83.801 -2.380 1.00 0.00 ATOM 639 OG SER 93 -9.335 83.413 -1.017 1.00 0.00 ATOM 640 O SER 93 -8.650 86.536 -0.537 1.00 0.00 ATOM 641 C SER 93 -8.329 86.057 -1.634 1.00 0.00 ATOM 642 N LEU 94 -7.077 86.137 -2.106 1.00 0.00 ATOM 643 CA LEU 94 -6.041 86.645 -1.240 1.00 0.00 ATOM 644 CB LEU 94 -4.653 86.327 -1.799 1.00 0.00 ATOM 645 CG LEU 94 -3.425 86.753 -0.961 1.00 0.00 ATOM 646 CD1 LEU 94 -3.375 85.919 0.323 1.00 0.00 ATOM 647 CD2 LEU 94 -2.121 86.589 -1.772 1.00 0.00 ATOM 648 O LEU 94 -6.167 88.628 0.127 1.00 0.00 ATOM 649 C LEU 94 -6.295 88.129 -1.008 1.00 0.00 ATOM 650 N ASP 95 -6.734 88.837 -2.057 1.00 0.00 ATOM 651 CA ASP 95 -7.139 90.242 -1.904 1.00 0.00 ATOM 652 CB ASP 95 -7.563 90.810 -3.252 1.00 0.00 ATOM 653 CG ASP 95 -6.384 91.045 -4.196 1.00 0.00 ATOM 654 OD1 ASP 95 -5.187 90.753 -3.812 1.00 0.00 ATOM 655 OD2 ASP 95 -6.687 91.548 -5.318 1.00 0.00 ATOM 656 O ASP 95 -8.309 91.367 -0.095 1.00 0.00 ATOM 657 C ASP 95 -8.291 90.402 -0.903 1.00 0.00 ATOM 658 N GLU 96 -9.235 89.449 -0.916 1.00 0.00 ATOM 659 CA GLU 96 -10.352 89.497 0.064 1.00 0.00 ATOM 660 CB GLU 96 -11.504 88.510 -0.271 1.00 0.00 ATOM 661 CG GLU 96 -12.783 88.704 0.623 1.00 0.00 ATOM 662 CD GLU 96 -12.783 87.993 2.042 1.00 0.00 ATOM 663 OE1 GLU 96 -11.793 87.314 2.439 1.00 0.00 ATOM 664 OE2 GLU 96 -13.819 88.108 2.771 1.00 0.00 ATOM 665 O GLU 96 -10.298 89.971 2.422 1.00 0.00 ATOM 666 C GLU 96 -9.859 89.286 1.498 1.00 0.00 ATOM 667 N GLN 97 -8.919 88.370 1.684 1.00 0.00 ATOM 668 CA GLN 97 -8.334 88.118 3.028 1.00 0.00 ATOM 669 CB GLN 97 -7.383 86.935 2.958 1.00 0.00 ATOM 670 CG GLN 97 -8.066 85.665 2.395 1.00 0.00 ATOM 671 CD GLN 97 -7.062 84.560 2.152 1.00 0.00 ATOM 672 OE1 GLN 97 -6.081 84.442 2.888 1.00 0.00 ATOM 673 NE2 GLN 97 -7.315 83.721 1.138 1.00 0.00 ATOM 674 O GLN 97 -7.714 89.550 4.889 1.00 0.00 ATOM 675 C GLN 97 -7.643 89.332 3.646 1.00 0.00 ATOM 676 N GLU 98 -7.004 90.148 2.780 1.00 0.00 ATOM 677 CA GLU 98 -6.286 91.387 3.192 1.00 0.00 ATOM 678 CB GLU 98 -5.098 91.604 2.239 1.00 0.00 ATOM 679 CG GLU 98 -4.214 90.323 2.113 1.00 0.00 ATOM 680 CD GLU 98 -3.177 90.234 3.247 1.00 0.00 ATOM 681 OE1 GLU 98 -2.916 91.290 3.896 1.00 0.00 ATOM 682 OE2 GLU 98 -2.628 89.127 3.494 1.00 0.00 ATOM 683 O GLU 98 -6.649 93.760 3.314 1.00 0.00 ATOM 684 C GLU 98 -7.160 92.650 3.222 1.00 0.00 ATOM 685 N GLY 99 -8.473 92.472 3.098 1.00 0.00 ATOM 686 CA GLY 99 -9.448 93.556 3.140 1.00 0.00 ATOM 687 O GLY 99 -9.396 95.887 2.513 1.00 0.00 ATOM 688 C GLY 99 -9.161 94.708 2.188 1.00 0.00 ATOM 689 N VAL 100 -8.666 94.381 1.004 1.00 0.00 ATOM 690 CA VAL 100 -8.364 95.427 0.022 1.00 0.00 ATOM 691 CB VAL 100 -7.727 94.842 -1.251 1.00 0.00 ATOM 692 CG1 VAL 100 -7.563 95.900 -2.324 1.00 0.00 ATOM 693 CG2 VAL 100 -6.353 94.191 -0.905 1.00 0.00 ATOM 694 O VAL 100 -9.574 97.501 -0.217 1.00 0.00 ATOM 695 C VAL 100 -9.622 96.265 -0.266 1.00 0.00 ATOM 696 N LYS 101 -10.758 95.600 -0.482 1.00 0.00 ATOM 697 CA LYS 101 -12.036 96.285 -0.823 1.00 0.00 ATOM 698 CB LYS 101 -13.134 95.270 -1.207 1.00 0.00 ATOM 699 CG LYS 101 -12.974 94.600 -2.587 1.00 0.00 ATOM 700 CD LYS 101 -14.223 93.757 -2.991 1.00 0.00 ATOM 701 CE LYS 101 -13.928 92.710 -4.118 1.00 0.00 ATOM 702 NZ LYS 101 -15.099 91.809 -4.528 1.00 0.00 ATOM 703 O LYS 101 -13.121 98.323 -0.053 1.00 0.00 ATOM 704 C LYS 101 -12.536 97.256 0.262 1.00 0.00 ATOM 705 N SER 102 -12.289 96.928 1.534 1.00 0.00 ATOM 706 CA SER 102 -12.627 97.833 2.660 1.00 0.00 ATOM 707 CB SER 102 -12.892 97.030 3.929 1.00 0.00 ATOM 708 OG SER 102 -12.016 95.931 3.989 1.00 0.00 ATOM 709 O SER 102 -11.688 99.650 3.926 1.00 0.00 ATOM 710 C SER 102 -11.571 98.893 2.963 1.00 0.00 ATOM 711 N GLY 103 -10.514 98.935 2.177 1.00 0.00 ATOM 712 CA GLY 103 -9.483 99.913 2.411 1.00 0.00 ATOM 713 O GLY 103 -7.744 100.505 3.953 1.00 0.00 ATOM 714 C GLY 103 -8.490 99.592 3.521 1.00 0.00 ATOM 715 N MET 104 -8.427 98.337 3.996 1.00 0.00 ATOM 716 CA MET 104 -7.496 98.011 5.109 1.00 0.00 ATOM 717 CB MET 104 -8.029 96.877 6.033 1.00 0.00 ATOM 718 CG MET 104 -7.473 95.449 5.823 1.00 0.00 ATOM 719 SD MET 104 -7.666 94.071 7.289 1.00 0.00 ATOM 720 CE MET 104 -7.734 95.188 8.765 1.00 0.00 ATOM 721 O MET 104 -5.067 98.149 5.281 1.00 0.00 ATOM 722 C MET 104 -6.050 97.795 4.625 1.00 0.00 ATOM 723 N TYR 105 -5.912 97.034 3.477 1.00 0.00 ATOM 724 CA TYR 105 -4.567 97.116 2.757 1.00 0.00 ATOM 725 CB TYR 105 -3.989 95.701 2.819 1.00 0.00 ATOM 726 CG TYR 105 -3.470 95.332 4.203 1.00 0.00 ATOM 727 CD1 TYR 105 -4.346 94.864 5.189 1.00 0.00 ATOM 728 CD2 TYR 105 -2.118 95.431 4.520 1.00 0.00 ATOM 729 CE1 TYR 105 -3.902 94.502 6.468 1.00 0.00 ATOM 730 CE2 TYR 105 -1.662 95.061 5.790 1.00 0.00 ATOM 731 CZ TYR 105 -2.566 94.597 6.749 1.00 0.00 ATOM 732 OH TYR 105 -2.162 94.238 8.031 1.00 0.00 ATOM 733 O TYR 105 -5.800 97.417 0.687 1.00 0.00 ATOM 734 C TYR 105 -4.723 97.519 1.266 1.00 0.00 ATOM 735 N VAL 106 -3.630 98.002 0.679 1.00 0.00 ATOM 736 CA VAL 106 -3.533 98.166 -0.771 1.00 0.00 ATOM 737 CB VAL 106 -3.028 99.618 -1.188 1.00 0.00 ATOM 738 CG1 VAL 106 -1.569 99.877 -0.805 1.00 0.00 ATOM 739 CG2 VAL 106 -3.244 99.893 -2.729 1.00 0.00 ATOM 740 O VAL 106 -1.635 96.669 -0.656 1.00 0.00 ATOM 741 C VAL 106 -2.622 97.047 -1.326 1.00 0.00 ATOM 742 N VAL 107 -2.957 96.514 -2.504 1.00 0.00 ATOM 743 CA VAL 107 -2.023 95.630 -3.238 1.00 0.00 ATOM 744 CB VAL 107 -2.671 95.066 -4.519 1.00 0.00 ATOM 745 CG1 VAL 107 -1.714 94.137 -5.241 1.00 0.00 ATOM 746 CG2 VAL 107 -3.956 94.257 -4.207 1.00 0.00 ATOM 747 O VAL 107 -0.737 97.437 -4.165 1.00 0.00 ATOM 748 C VAL 107 -0.703 96.340 -3.625 1.00 0.00 ATOM 749 N ILE 108 0.457 95.738 -3.360 1.00 0.00 ATOM 750 CA ILE 108 1.680 96.337 -3.889 1.00 0.00 ATOM 751 CB ILE 108 2.606 96.907 -2.784 1.00 0.00 ATOM 752 CG1 ILE 108 3.033 95.802 -1.820 1.00 0.00 ATOM 753 CG2 ILE 108 1.896 98.087 -2.020 1.00 0.00 ATOM 754 CD1 ILE 108 3.936 96.296 -0.613 1.00 0.00 ATOM 755 O ILE 108 2.091 94.108 -4.615 1.00 0.00 ATOM 756 C ILE 108 2.431 95.284 -4.672 1.00 0.00 ATOM 757 N GLU 109 3.416 95.742 -5.434 1.00 0.00 ATOM 758 CA GLU 109 4.452 94.897 -6.022 1.00 0.00 ATOM 759 CB GLU 109 4.537 95.133 -7.511 1.00 0.00 ATOM 760 CG GLU 109 5.546 94.298 -8.252 1.00 0.00 ATOM 761 CD GLU 109 5.617 94.682 -9.738 1.00 0.00 ATOM 762 OE1 GLU 109 4.680 94.336 -10.479 1.00 0.00 ATOM 763 OE2 GLU 109 6.558 95.396 -10.150 1.00 0.00 ATOM 764 O GLU 109 6.057 96.547 -5.262 1.00 0.00 ATOM 765 C GLU 109 5.751 95.354 -5.371 1.00 0.00 ATOM 766 N VAL 110 6.522 94.375 -4.935 1.00 0.00 ATOM 767 CA VAL 110 7.855 94.615 -4.424 1.00 0.00 ATOM 768 CB VAL 110 7.905 94.467 -2.892 1.00 0.00 ATOM 769 CG1 VAL 110 7.112 95.519 -2.195 1.00 0.00 ATOM 770 CG2 VAL 110 7.410 93.100 -2.461 1.00 0.00 ATOM 771 O VAL 110 8.511 92.534 -5.430 1.00 0.00 ATOM 772 C VAL 110 8.865 93.608 -4.999 1.00 0.00 ATOM 773 N LYS 111 10.134 93.995 -4.952 1.00 0.00 ATOM 774 CA LYS 111 11.256 93.206 -5.433 1.00 0.00 ATOM 775 CB LYS 111 12.085 93.984 -6.478 1.00 0.00 ATOM 776 CG LYS 111 11.278 94.202 -7.784 1.00 0.00 ATOM 777 CD LYS 111 12.085 94.912 -8.853 1.00 0.00 ATOM 778 CE LYS 111 11.294 94.886 -10.182 1.00 0.00 ATOM 779 NZ LYS 111 11.968 95.607 -11.289 1.00 0.00 ATOM 780 O LYS 111 12.483 93.918 -3.533 1.00 0.00 ATOM 781 C LYS 111 12.042 92.963 -4.201 1.00 0.00 ATOM 782 N VAL 112 12.131 91.685 -3.856 1.00 0.00 ATOM 783 CA VAL 112 12.853 91.189 -2.682 1.00 0.00 ATOM 784 CB VAL 112 11.946 90.394 -1.746 1.00 0.00 ATOM 785 CG1 VAL 112 10.822 91.333 -1.152 1.00 0.00 ATOM 786 CG2 VAL 112 11.308 89.232 -2.484 1.00 0.00 ATOM 787 O VAL 112 14.101 89.809 -4.259 1.00 0.00 ATOM 788 C VAL 112 14.051 90.317 -3.118 1.00 0.00 ATOM 789 N ALA 113 14.999 90.135 -2.201 1.00 0.00 ATOM 790 CA ALA 113 16.248 89.397 -2.512 1.00 0.00 ATOM 791 CB ALA 113 17.424 90.351 -2.384 1.00 0.00 ATOM 792 O ALA 113 16.311 88.348 -0.353 1.00 0.00 ATOM 793 C ALA 113 16.430 88.206 -1.571 1.00 0.00 ATOM 794 N THR 114 16.708 87.037 -2.145 1.00 0.00 ATOM 795 CA THR 114 17.007 85.831 -1.384 1.00 0.00 ATOM 796 CB THR 114 17.077 84.625 -2.297 1.00 0.00 ATOM 797 CG2 THR 114 15.928 84.680 -3.293 1.00 0.00 ATOM 798 OG1 THR 114 18.314 84.658 -3.036 1.00 0.00 ATOM 799 O THR 114 19.048 87.032 -0.954 1.00 0.00 ATOM 800 C THR 114 18.366 86.030 -0.714 1.00 0.00 ATOM 801 N GLN 115 18.745 85.064 0.123 1.00 0.00 ATOM 802 CA GLN 115 20.019 85.083 0.794 1.00 0.00 ATOM 803 CB GLN 115 20.038 84.069 1.943 1.00 0.00 ATOM 804 CG GLN 115 19.299 84.605 3.161 1.00 0.00 ATOM 805 CD GLN 115 18.815 83.512 4.086 1.00 0.00 ATOM 806 OE1 GLN 115 19.341 83.355 5.194 1.00 0.00 ATOM 807 NE2 GLN 115 17.806 82.738 3.638 1.00 0.00 ATOM 808 O GLN 115 22.324 85.265 0.202 1.00 0.00 ATOM 809 C GLN 115 21.201 84.891 -0.144 1.00 0.00 ATOM 810 N GLU 116 20.950 84.355 -1.331 1.00 0.00 ATOM 811 CA GLU 116 21.987 84.271 -2.382 1.00 0.00 ATOM 812 CB GLU 116 21.709 83.115 -3.335 1.00 0.00 ATOM 813 CG GLU 116 21.929 81.733 -2.724 1.00 0.00 ATOM 814 CD GLU 116 20.887 81.397 -1.729 1.00 0.00 ATOM 815 OE1 GLU 116 19.683 81.615 -2.028 1.00 0.00 ATOM 816 OE2 GLU 116 21.274 80.932 -0.638 1.00 0.00 ATOM 817 O GLU 116 22.782 85.560 -4.228 1.00 0.00 ATOM 818 C GLU 116 22.042 85.517 -3.249 1.00 0.00 ATOM 819 N GLY 117 21.199 86.497 -2.963 1.00 0.00 ATOM 820 CA GLY 117 21.181 87.727 -3.747 1.00 0.00 ATOM 821 O GLY 117 20.631 88.437 -5.950 1.00 0.00 ATOM 822 C GLY 117 20.403 87.630 -5.054 1.00 0.00 ATOM 823 N LYS 118 19.475 86.680 -5.160 1.00 0.00 ATOM 824 CA LYS 118 18.571 86.608 -6.323 1.00 0.00 ATOM 825 CB LYS 118 18.183 85.147 -6.629 1.00 0.00 ATOM 826 CG LYS 118 17.447 84.929 -7.993 1.00 0.00 ATOM 827 CD LYS 118 17.022 83.433 -8.222 1.00 0.00 ATOM 828 CE LYS 118 15.930 83.284 -9.332 1.00 0.00 ATOM 829 NZ LYS 118 16.069 82.057 -10.240 1.00 0.00 ATOM 830 O LYS 118 16.662 87.357 -5.026 1.00 0.00 ATOM 831 C LYS 118 17.307 87.467 -6.081 1.00 0.00 ATOM 832 N GLU 119 16.967 88.301 -7.059 1.00 0.00 ATOM 833 CA GLU 119 15.836 89.198 -6.949 1.00 0.00 ATOM 834 CB GLU 119 16.120 90.505 -7.715 1.00 0.00 ATOM 835 CG GLU 119 15.028 91.549 -7.652 1.00 0.00 ATOM 836 CD GLU 119 15.602 92.966 -7.747 1.00 0.00 ATOM 837 OE1 GLU 119 16.316 93.391 -6.804 1.00 0.00 ATOM 838 OE2 GLU 119 15.349 93.648 -8.769 1.00 0.00 ATOM 839 O GLU 119 14.573 87.854 -8.478 1.00 0.00 ATOM 840 C GLU 119 14.571 88.521 -7.447 1.00 0.00 ATOM 841 N ILE 120 13.485 88.720 -6.713 1.00 0.00 ATOM 842 CA ILE 120 12.188 88.087 -7.007 1.00 0.00 ATOM 843 CB ILE 120 11.875 86.990 -5.907 1.00 0.00 ATOM 844 CG1 ILE 120 12.903 85.870 -5.936 1.00 0.00 ATOM 845 CG2 ILE 120 10.481 86.437 -6.011 1.00 0.00 ATOM 846 CD1 ILE 120 13.048 85.242 -4.613 1.00 0.00 ATOM 847 O ILE 120 11.126 89.969 -5.954 1.00 0.00 ATOM 848 C ILE 120 11.124 89.188 -6.918 1.00 0.00 ATOM 849 N THR 121 10.265 89.266 -7.931 1.00 0.00 ATOM 850 CA THR 121 9.123 90.177 -7.938 1.00 0.00 ATOM 851 CB THR 121 8.767 90.614 -9.370 1.00 0.00 ATOM 852 CG2 THR 121 7.724 91.726 -9.405 1.00 0.00 ATOM 853 OG1 THR 121 9.946 91.094 -9.988 1.00 0.00 ATOM 854 O THR 121 7.526 88.384 -7.694 1.00 0.00 ATOM 855 C THR 121 7.918 89.487 -7.299 1.00 0.00 ATOM 856 N CYS 122 7.310 90.162 -6.324 1.00 0.00 ATOM 857 CA CYS 122 6.190 89.557 -5.586 1.00 0.00 ATOM 858 CB CYS 122 6.615 89.242 -4.170 1.00 0.00 ATOM 859 SG CYS 122 7.982 88.133 -4.048 1.00 0.00 ATOM 860 O CYS 122 5.217 91.727 -5.441 1.00 0.00 ATOM 861 C CYS 122 5.033 90.514 -5.460 1.00 0.00 ATOM 862 N ARG 123 3.851 89.951 -5.295 1.00 0.00 ATOM 863 CA ARG 123 2.716 90.687 -4.804 1.00 0.00 ATOM 864 CB ARG 123 1.465 89.964 -5.273 1.00 0.00 ATOM 865 CG ARG 123 0.158 90.665 -4.960 1.00 0.00 ATOM 866 CD ARG 123 -0.974 89.736 -5.397 1.00 0.00 ATOM 867 NE ARG 123 -2.278 90.417 -5.479 1.00 0.00 ATOM 868 CZ ARG 123 -2.671 91.120 -6.533 1.00 0.00 ATOM 869 NH1 ARG 123 -1.843 91.277 -7.584 1.00 0.00 ATOM 870 NH2 ARG 123 -3.868 91.694 -6.529 1.00 0.00 ATOM 871 O ARG 123 3.073 89.734 -2.579 1.00 0.00 ATOM 872 C ARG 123 2.768 90.741 -3.262 1.00 0.00 ATOM 873 N SER 124 2.478 91.902 -2.695 1.00 0.00 ATOM 874 CA SER 124 2.353 91.996 -1.253 1.00 0.00 ATOM 875 CB SER 124 3.697 92.377 -0.601 1.00 0.00 ATOM 876 OG SER 124 3.643 92.056 0.846 1.00 0.00 ATOM 877 O SER 124 0.468 93.459 -1.810 1.00 0.00 ATOM 878 C SER 124 1.242 93.037 -0.919 1.00 0.00 ATOM 879 N TYR 125 1.176 93.463 0.342 1.00 0.00 ATOM 880 CA TYR 125 0.091 94.347 0.793 1.00 0.00 ATOM 881 CB TYR 125 -1.024 93.481 1.446 1.00 0.00 ATOM 882 CG TYR 125 -1.664 92.533 0.438 1.00 0.00 ATOM 883 CD1 TYR 125 -2.730 92.949 -0.357 1.00 0.00 ATOM 884 CD2 TYR 125 -1.143 91.227 0.264 1.00 0.00 ATOM 885 CE1 TYR 125 -3.314 92.068 -1.318 1.00 0.00 ATOM 886 CE2 TYR 125 -1.698 90.344 -0.649 1.00 0.00 ATOM 887 CZ TYR 125 -2.774 90.756 -1.429 1.00 0.00 ATOM 888 OH TYR 125 -3.275 89.868 -2.337 1.00 0.00 ATOM 889 O TYR 125 1.545 94.861 2.589 1.00 0.00 ATOM 890 C TYR 125 0.672 95.285 1.824 1.00 0.00 ATOM 891 N LEU 126 0.218 96.533 1.863 1.00 0.00 ATOM 892 CA LEU 126 0.529 97.418 3.024 1.00 0.00 ATOM 893 CB LEU 126 1.883 98.184 2.856 1.00 0.00 ATOM 894 CG LEU 126 2.112 99.003 1.567 1.00 0.00 ATOM 895 CD1 LEU 126 1.204 100.230 1.508 1.00 0.00 ATOM 896 CD2 LEU 126 3.584 99.391 1.363 1.00 0.00 ATOM 897 O LEU 126 -1.555 98.483 2.456 1.00 0.00 ATOM 898 C LEU 126 -0.650 98.325 3.308 1.00 0.00 ATOM 899 N MET 127 -0.651 98.930 4.496 1.00 0.00 ATOM 900 CA MET 127 -1.724 99.828 4.871 1.00 0.00 ATOM 901 CB MET 127 -1.978 99.736 6.369 1.00 0.00 ATOM 902 CG MET 127 -2.387 98.342 6.762 1.00 0.00 ATOM 903 SD MET 127 -3.327 98.435 8.451 1.00 0.00 ATOM 904 CE MET 127 -1.957 98.782 9.336 1.00 0.00 ATOM 905 O MET 127 -0.130 101.584 4.581 1.00 0.00 ATOM 906 C MET 127 -1.320 101.261 4.499 1.00 0.00 ATOM 907 N THR 128 -2.292 102.077 4.089 1.00 0.00 ATOM 908 CA THR 128 -2.032 103.468 3.632 1.00 0.00 ATOM 909 CB THR 128 -2.566 103.716 2.215 1.00 0.00 ATOM 910 CG2 THR 128 -1.931 102.773 1.172 1.00 0.00 ATOM 911 OG1 THR 128 -3.988 103.549 2.197 1.00 0.00 ATOM 912 O THR 128 -2.338 105.677 4.481 1.00 0.00 ATOM 913 C THR 128 -2.639 104.502 4.581 1.00 0.00 ATOM 914 N ASN 129 -3.476 104.054 5.508 1.00 0.00 ATOM 915 CA ASN 129 -4.241 104.944 6.377 1.00 0.00 ATOM 916 CB ASN 129 -5.631 105.286 5.810 1.00 0.00 ATOM 917 CG ASN 129 -6.286 106.483 6.568 1.00 0.00 ATOM 918 ND2 ASN 129 -7.382 107.012 6.032 1.00 0.00 ATOM 919 OD1 ASN 129 -5.779 106.916 7.625 1.00 0.00 ATOM 920 O ASN 129 -5.276 103.298 7.765 1.00 0.00 ATOM 921 C ASN 129 -4.423 104.200 7.672 1.00 0.00 ATOM 922 N TYR 130 -3.565 104.491 8.646 1.00 0.00 ATOM 923 CA TYR 130 -3.623 103.703 9.875 1.00 0.00 ATOM 924 CB TYR 130 -2.920 102.341 9.727 1.00 0.00 ATOM 925 CG TYR 130 -1.408 102.405 9.746 1.00 0.00 ATOM 926 CD1 TYR 130 -0.697 102.660 8.579 1.00 0.00 ATOM 927 CD2 TYR 130 -0.687 102.174 10.936 1.00 0.00 ATOM 928 CE1 TYR 130 0.682 102.743 8.596 1.00 0.00 ATOM 929 CE2 TYR 130 0.681 102.223 10.960 1.00 0.00 ATOM 930 CZ TYR 130 1.359 102.510 9.794 1.00 0.00 ATOM 931 OH TYR 130 2.727 102.568 9.799 1.00 0.00 ATOM 932 O TYR 130 -2.287 105.407 10.872 1.00 0.00 ATOM 933 C TYR 130 -3.048 104.458 11.056 1.00 0.00 ATOM 934 N GLU 131 -3.363 103.970 12.249 1.00 0.00 ATOM 935 CA GLU 131 -2.759 104.510 13.494 1.00 0.00 ATOM 936 CB GLU 131 -3.876 104.894 14.497 1.00 0.00 ATOM 937 CG GLU 131 -4.701 106.145 14.035 1.00 0.00 ATOM 938 CD GLU 131 -6.040 106.338 14.802 1.00 0.00 ATOM 939 OE1 GLU 131 -6.288 105.587 15.779 1.00 0.00 ATOM 940 OE2 GLU 131 -6.854 107.233 14.417 1.00 0.00 ATOM 941 O GLU 131 -2.338 102.360 14.385 1.00 0.00 ATOM 942 C GLU 131 -1.859 103.447 14.116 1.00 0.00 ATOM 943 N SER 132 -0.577 103.764 14.320 1.00 0.00 ATOM 944 CA SER 132 0.370 102.937 15.026 1.00 0.00 ATOM 945 CB SER 132 1.600 103.770 15.383 1.00 0.00 ATOM 946 OG SER 132 2.380 104.060 14.225 1.00 0.00 ATOM 947 O SER 132 -0.846 103.102 17.098 1.00 0.00 ATOM 948 C SER 132 -0.241 102.365 16.311 1.00 0.00 ATOM 949 N ALA 133 -0.064 101.066 16.528 1.00 0.00 ATOM 950 CA ALA 133 -0.596 100.393 17.735 1.00 0.00 ATOM 951 CB ALA 133 -2.110 100.228 17.654 1.00 0.00 ATOM 952 O ALA 133 0.140 98.267 16.918 1.00 0.00 ATOM 953 C ALA 133 0.047 99.028 17.896 1.00 0.00 ATOM 954 N PRO 134 0.513 98.711 19.118 1.00 0.00 ATOM 955 CA PRO 134 1.225 97.434 19.268 1.00 0.00 ATOM 956 CB PRO 134 1.731 97.442 20.714 1.00 0.00 ATOM 957 CG PRO 134 1.120 98.649 21.396 1.00 0.00 ATOM 958 CD PRO 134 0.451 99.512 20.362 1.00 0.00 ATOM 959 O PRO 134 -0.870 96.303 19.076 1.00 0.00 ATOM 960 C PRO 134 0.364 96.216 18.987 1.00 0.00 ATOM 961 N PRO 135 1.000 95.093 18.595 1.00 0.00 ATOM 962 CA PRO 135 0.255 93.872 18.348 1.00 0.00 ATOM 963 CB PRO 135 1.248 93.003 17.600 1.00 0.00 ATOM 964 CG PRO 135 2.598 93.445 18.060 1.00 0.00 ATOM 965 CD PRO 135 2.452 94.926 18.309 1.00 0.00 ATOM 966 O PRO 135 0.463 93.399 20.690 1.00 0.00 ATOM 967 C PRO 135 -0.150 93.177 19.627 1.00 0.00 ATOM 968 N SER 136 -1.151 92.318 19.525 1.00 0.00 ATOM 969 CA SER 136 -1.475 91.462 20.636 1.00 0.00 ATOM 970 CB SER 136 -2.818 90.778 20.408 1.00 0.00 ATOM 971 OG SER 136 -2.768 89.975 19.269 1.00 0.00 ATOM 972 O SER 136 0.369 90.048 19.912 1.00 0.00 ATOM 973 C SER 136 -0.379 90.410 20.864 1.00 0.00 ATOM 974 N PRO 137 -0.280 89.912 22.129 1.00 0.00 ATOM 975 CA PRO 137 0.646 88.803 22.325 1.00 0.00 ATOM 976 CB PRO 137 0.339 88.325 23.755 1.00 0.00 ATOM 977 CG PRO 137 -0.030 89.595 24.476 1.00 0.00 ATOM 978 CD PRO 137 -0.953 90.282 23.402 1.00 0.00 ATOM 979 O PRO 137 1.352 87.111 20.858 1.00 0.00 ATOM 980 C PRO 137 0.391 87.682 21.335 1.00 0.00 ATOM 981 N GLN 138 -0.877 87.381 21.003 1.00 0.00 ATOM 982 CA GLN 138 -1.132 86.242 20.151 1.00 0.00 ATOM 983 CB GLN 138 -2.615 85.822 20.161 1.00 0.00 ATOM 984 CG GLN 138 -3.161 85.464 21.596 1.00 0.00 ATOM 985 CD GLN 138 -3.639 86.696 22.378 1.00 0.00 ATOM 986 OE1 GLN 138 -3.149 87.800 22.168 1.00 0.00 ATOM 987 NE2 GLN 138 -4.607 86.497 23.293 1.00 0.00 ATOM 988 O GLN 138 0.047 85.549 18.145 1.00 0.00 ATOM 989 C GLN 138 -0.603 86.448 18.719 1.00 0.00 ATOM 990 N TYR 139 -0.852 87.628 18.178 1.00 0.00 ATOM 991 CA TYR 139 -0.411 87.986 16.828 1.00 0.00 ATOM 992 CB TYR 139 -0.884 89.391 16.498 1.00 0.00 ATOM 993 CG TYR 139 -0.719 89.778 15.049 1.00 0.00 ATOM 994 CD1 TYR 139 -1.328 89.029 14.020 1.00 0.00 ATOM 995 CD2 TYR 139 -0.028 90.931 14.706 1.00 0.00 ATOM 996 CE1 TYR 139 -1.225 89.419 12.660 1.00 0.00 ATOM 997 CE2 TYR 139 0.093 91.331 13.356 1.00 0.00 ATOM 998 CZ TYR 139 -0.523 90.587 12.367 1.00 0.00 ATOM 999 OH TYR 139 -0.346 90.961 11.082 1.00 0.00 ATOM 1000 O TYR 139 1.705 87.319 15.940 1.00 0.00 ATOM 1001 C TYR 139 1.099 87.948 16.817 1.00 0.00 ATOM 1002 N LYS 140 1.719 88.560 17.831 1.00 0.00 ATOM 1003 CA LYS 140 3.163 88.448 17.930 1.00 0.00 ATOM 1004 CB LYS 140 3.724 89.263 19.123 1.00 0.00 ATOM 1005 CG LYS 140 5.238 89.042 19.317 1.00 0.00 ATOM 1006 CD LYS 140 5.847 90.042 20.346 1.00 0.00 ATOM 1007 CE LYS 140 7.212 89.501 20.833 1.00 0.00 ATOM 1008 NZ LYS 140 7.775 90.318 21.947 1.00 0.00 ATOM 1009 O LYS 140 4.691 86.717 17.282 1.00 0.00 ATOM 1010 C LYS 140 3.682 87.005 17.945 1.00 0.00 ATOM 1011 N LYS 141 3.028 86.095 18.706 1.00 0.00 ATOM 1012 CA LYS 141 3.520 84.703 18.816 1.00 0.00 ATOM 1013 CB LYS 141 2.729 83.830 19.808 1.00 0.00 ATOM 1014 CG LYS 141 2.811 84.268 21.260 1.00 0.00 ATOM 1015 CD LYS 141 2.363 83.129 22.239 1.00 0.00 ATOM 1016 CE LYS 141 2.491 83.569 23.721 1.00 0.00 ATOM 1017 NZ LYS 141 1.742 84.859 24.034 1.00 0.00 ATOM 1018 O LYS 141 4.385 83.267 17.121 1.00 0.00 ATOM 1019 C LYS 141 3.470 84.015 17.473 1.00 0.00 ATOM 1020 N ILE 142 2.396 84.251 16.730 1.00 0.00 ATOM 1021 CA ILE 142 2.238 83.581 15.423 1.00 0.00 ATOM 1022 CB ILE 142 0.843 83.831 14.866 1.00 0.00 ATOM 1023 CG1 ILE 142 -0.238 83.021 15.630 1.00 0.00 ATOM 1024 CG2 ILE 142 0.784 83.639 13.323 1.00 0.00 ATOM 1025 CD1 ILE 142 -0.032 81.509 15.697 1.00 0.00 ATOM 1026 O ILE 142 3.910 83.242 13.710 1.00 0.00 ATOM 1027 C ILE 142 3.338 84.034 14.465 1.00 0.00 ATOM 1028 N ILE 143 3.595 85.342 14.466 1.00 0.00 ATOM 1029 CA ILE 143 4.662 85.933 13.659 1.00 0.00 ATOM 1030 CB ILE 143 4.646 87.506 13.852 1.00 0.00 ATOM 1031 CG1 ILE 143 3.422 88.075 13.140 1.00 0.00 ATOM 1032 CG2 ILE 143 5.910 88.141 13.280 1.00 0.00 ATOM 1033 CD1 ILE 143 3.258 89.634 13.280 1.00 0.00 ATOM 1034 O ILE 143 6.805 84.872 13.114 1.00 0.00 ATOM 1035 C ILE 143 6.052 85.326 13.991 1.00 0.00 ATOM 1036 N CYS 144 6.385 85.336 15.277 1.00 0.00 ATOM 1037 CA CYS 144 7.642 84.754 15.761 1.00 0.00 ATOM 1038 CB CYS 144 7.751 84.999 17.260 1.00 0.00 ATOM 1039 SG CYS 144 8.071 86.779 17.551 1.00 0.00 ATOM 1040 O CYS 144 8.776 82.795 14.987 1.00 0.00 ATOM 1041 C CYS 144 7.733 83.265 15.434 1.00 0.00 ATOM 1042 N MET 145 6.637 82.544 15.626 1.00 0.00 ATOM 1043 CA MET 145 6.569 81.121 15.266 1.00 0.00 ATOM 1044 CB MET 145 5.190 80.588 15.620 1.00 0.00 ATOM 1045 CG MET 145 4.980 80.363 17.104 1.00 0.00 ATOM 1046 SD MET 145 3.216 79.669 17.511 1.00 0.00 ATOM 1047 CE MET 145 3.467 77.901 16.792 1.00 0.00 ATOM 1048 O MET 145 7.611 80.030 13.389 1.00 0.00 ATOM 1049 C MET 145 6.852 80.907 13.768 1.00 0.00 ATOM 1050 N GLY 146 6.273 81.757 12.908 1.00 0.00 ATOM 1051 CA GLY 146 6.494 81.629 11.481 1.00 0.00 ATOM 1052 O GLY 146 8.559 81.159 10.340 1.00 0.00 ATOM 1053 C GLY 146 7.928 81.921 11.103 1.00 0.00 ATOM 1054 N ALA 147 8.459 83.010 11.650 1.00 0.00 ATOM 1055 CA ALA 147 9.839 83.398 11.397 1.00 0.00 ATOM 1056 CB ALA 147 10.164 84.684 12.200 1.00 0.00 ATOM 1057 O ALA 147 11.800 82.028 11.004 1.00 0.00 ATOM 1058 C ALA 147 10.835 82.284 11.752 1.00 0.00 ATOM 1059 N LYS 148 10.619 81.649 12.905 1.00 0.00 ATOM 1060 CA LYS 148 11.444 80.493 13.340 1.00 0.00 ATOM 1061 CB LYS 148 11.053 80.042 14.755 1.00 0.00 ATOM 1062 CG LYS 148 12.090 79.110 15.379 1.00 0.00 ATOM 1063 CD LYS 148 11.711 78.819 16.803 1.00 0.00 ATOM 1064 CE LYS 148 12.878 78.206 17.577 1.00 0.00 ATOM 1065 NZ LYS 148 13.102 76.786 17.201 1.00 0.00 ATOM 1066 O LYS 148 12.262 78.730 11.930 1.00 0.00 ATOM 1067 C LYS 148 11.290 79.290 12.425 1.00 0.00 ATOM 1068 N GLU 149 10.035 78.895 12.242 1.00 0.00 ATOM 1069 CA GLU 149 9.656 77.814 11.378 1.00 0.00 ATOM 1070 CB GLU 149 8.142 77.814 11.220 1.00 0.00 ATOM 1071 CG GLU 149 7.643 76.575 10.507 1.00 0.00 ATOM 1072 CD GLU 149 6.158 76.601 10.333 1.00 0.00 ATOM 1073 OE1 GLU 149 5.675 77.472 9.575 1.00 0.00 ATOM 1074 OE2 GLU 149 5.478 75.749 10.953 1.00 0.00 ATOM 1075 O GLU 149 10.769 76.834 9.458 1.00 0.00 ATOM 1076 C GLU 149 10.280 77.859 9.991 1.00 0.00 ATOM 1077 N ASN 150 10.251 79.032 9.387 1.00 0.00 ATOM 1078 CA ASN 150 10.648 79.121 7.994 1.00 0.00 ATOM 1079 CB ASN 150 9.570 79.851 7.138 1.00 0.00 ATOM 1080 CG ASN 150 8.430 78.928 6.799 1.00 0.00 ATOM 1081 ND2 ASN 150 7.167 79.368 6.998 1.00 0.00 ATOM 1082 OD1 ASN 150 8.680 77.788 6.421 1.00 0.00 ATOM 1083 O ASN 150 12.490 79.915 6.716 1.00 0.00 ATOM 1084 C ASN 150 12.035 79.641 7.833 1.00 0.00 ATOM 1085 N GLY 151 12.728 79.775 8.959 1.00 0.00 ATOM 1086 CA GLY 151 14.158 80.065 8.928 1.00 0.00 ATOM 1087 O GLY 151 15.516 81.602 7.711 1.00 0.00 ATOM 1088 C GLY 151 14.555 81.454 8.438 1.00 0.00 ATOM 1089 N LEU 152 13.849 82.488 8.883 1.00 0.00 ATOM 1090 CA LEU 152 14.251 83.830 8.616 1.00 0.00 ATOM 1091 CB LEU 152 13.185 84.831 9.120 1.00 0.00 ATOM 1092 CG LEU 152 12.181 85.334 8.079 1.00 0.00 ATOM 1093 CD1 LEU 152 11.466 84.198 7.342 1.00 0.00 ATOM 1094 CD2 LEU 152 11.169 86.250 8.743 1.00 0.00 ATOM 1095 O LEU 152 15.803 83.259 10.330 1.00 0.00 ATOM 1096 C LEU 152 15.574 83.991 9.387 1.00 0.00 ATOM 1097 N PRO 153 16.442 84.924 8.976 1.00 0.00 ATOM 1098 CA PRO 153 17.731 85.078 9.677 1.00 0.00 ATOM 1099 CB PRO 153 18.310 86.372 9.070 1.00 0.00 ATOM 1100 CG PRO 153 17.729 86.395 7.680 1.00 0.00 ATOM 1101 CD PRO 153 16.317 85.865 7.853 1.00 0.00 ATOM 1102 O PRO 153 16.560 85.882 11.616 1.00 0.00 ATOM 1103 C PRO 153 17.547 85.277 11.181 1.00 0.00 ATOM 1104 N LEU 154 18.528 84.827 11.955 1.00 0.00 ATOM 1105 CA LEU 154 18.449 84.875 13.415 1.00 0.00 ATOM 1106 CB LEU 154 19.640 84.158 14.055 1.00 0.00 ATOM 1107 CG LEU 154 19.581 82.623 13.881 1.00 0.00 ATOM 1108 CD1 LEU 154 20.694 81.975 14.691 1.00 0.00 ATOM 1109 CD2 LEU 154 18.248 81.985 14.240 1.00 0.00 ATOM 1110 O LEU 154 17.518 86.495 14.885 1.00 0.00 ATOM 1111 C LEU 154 18.324 86.262 13.969 1.00 0.00 ATOM 1112 N GLU 155 19.095 87.184 13.392 1.00 0.00 ATOM 1113 CA GLU 155 19.102 88.591 13.804 1.00 0.00 ATOM 1114 CB GLU 155 20.149 89.384 13.008 1.00 0.00 ATOM 1115 CG GLU 155 20.152 90.860 13.347 1.00 0.00 ATOM 1116 CD GLU 155 21.111 91.741 12.508 1.00 0.00 ATOM 1117 OE1 GLU 155 22.158 91.242 11.998 1.00 0.00 ATOM 1118 OE2 GLU 155 20.810 92.963 12.400 1.00 0.00 ATOM 1119 O GLU 155 17.363 90.149 14.329 1.00 0.00 ATOM 1120 C GLU 155 17.738 89.255 13.589 1.00 0.00 ATOM 1121 N TYR 156 17.047 88.879 12.519 1.00 0.00 ATOM 1122 CA TYR 156 15.716 89.425 12.265 1.00 0.00 ATOM 1123 CB TYR 156 15.261 89.193 10.812 1.00 0.00 ATOM 1124 CG TYR 156 13.990 89.978 10.493 1.00 0.00 ATOM 1125 CD1 TYR 156 14.038 91.369 10.216 1.00 0.00 ATOM 1126 CD2 TYR 156 12.760 89.341 10.478 1.00 0.00 ATOM 1127 CE1 TYR 156 12.873 92.084 9.943 1.00 0.00 ATOM 1128 CE2 TYR 156 11.600 90.025 10.170 1.00 0.00 ATOM 1129 CZ TYR 156 11.647 91.383 9.925 1.00 0.00 ATOM 1130 OH TYR 156 10.469 92.027 9.631 1.00 0.00 ATOM 1131 O TYR 156 13.857 89.575 13.755 1.00 0.00 ATOM 1132 C TYR 156 14.721 88.850 13.247 1.00 0.00 ATOM 1133 N GLN 157 14.861 87.571 13.552 1.00 0.00 ATOM 1134 CA GLN 157 14.006 86.933 14.535 1.00 0.00 ATOM 1135 CB GLN 157 14.308 85.449 14.650 1.00 0.00 ATOM 1136 CG GLN 157 13.970 84.611 13.398 1.00 0.00 ATOM 1137 CD GLN 157 14.122 83.131 13.683 1.00 0.00 ATOM 1138 OE1 GLN 157 13.550 82.630 14.635 1.00 0.00 ATOM 1139 NE2 GLN 157 14.877 82.428 12.857 1.00 0.00 ATOM 1140 O GLN 157 13.203 87.756 16.614 1.00 0.00 ATOM 1141 C GLN 157 14.172 87.594 15.885 1.00 0.00 ATOM 1142 N GLU 158 15.392 87.998 16.220 1.00 0.00 ATOM 1143 CA GLU 158 15.610 88.698 17.495 1.00 0.00 ATOM 1144 CB GLU 158 17.100 88.959 17.775 1.00 0.00 ATOM 1145 CG GLU 158 17.836 87.683 18.209 1.00 0.00 ATOM 1146 CD GLU 158 17.180 87.060 19.418 1.00 0.00 ATOM 1147 OE1 GLU 158 16.802 87.826 20.335 1.00 0.00 ATOM 1148 OE2 GLU 158 17.006 85.821 19.443 1.00 0.00 ATOM 1149 O GLU 158 14.321 90.382 18.517 1.00 0.00 ATOM 1150 C GLU 158 14.866 90.001 17.494 1.00 0.00 ATOM 1151 N LYS 159 14.854 90.675 16.338 1.00 0.00 ATOM 1152 CA LYS 159 14.106 91.883 16.161 1.00 0.00 ATOM 1153 CB LYS 159 14.434 92.511 14.819 1.00 0.00 ATOM 1154 CG LYS 159 15.882 92.969 14.699 1.00 0.00 ATOM 1155 CD LYS 159 16.120 93.959 13.542 1.00 0.00 ATOM 1156 CE LYS 159 15.413 95.319 13.761 1.00 0.00 ATOM 1157 NZ LYS 159 15.757 96.324 12.682 1.00 0.00 ATOM 1158 O LYS 159 11.974 92.475 17.070 1.00 0.00 ATOM 1159 C LYS 159 12.592 91.678 16.366 1.00 0.00 ATOM 1160 N LEU 160 12.009 90.613 15.791 1.00 0.00 ATOM 1161 CA LEU 160 10.592 90.311 16.015 1.00 0.00 ATOM 1162 CB LEU 160 10.152 89.124 15.138 1.00 0.00 ATOM 1163 CG LEU 160 10.251 89.355 13.627 1.00 0.00 ATOM 1164 CD1 LEU 160 10.082 88.048 12.850 1.00 0.00 ATOM 1165 CD2 LEU 160 9.240 90.431 13.195 1.00 0.00 ATOM 1166 O LEU 160 9.261 90.409 18.060 1.00 0.00 ATOM 1167 C LEU 160 10.285 89.987 17.501 1.00 0.00 ATOM 1168 N LYS 161 11.162 89.206 18.128 1.00 0.00 ATOM 1169 CA LYS 161 10.953 88.779 19.532 1.00 0.00 ATOM 1170 CB LYS 161 12.014 87.742 19.941 1.00 0.00 ATOM 1171 CG LYS 161 11.922 86.451 19.167 1.00 0.00 ATOM 1172 CD LYS 161 13.218 85.618 19.296 1.00 0.00 ATOM 1173 CE LYS 161 13.098 84.528 20.349 1.00 0.00 ATOM 1174 NZ LYS 161 14.444 83.875 20.465 1.00 0.00 ATOM 1175 O LYS 161 10.444 89.894 21.608 1.00 0.00 ATOM 1176 C LYS 161 11.010 89.968 20.496 1.00 0.00 ATOM 1177 N ALA 162 11.668 91.048 20.057 1.00 0.00 ATOM 1178 CA ALA 162 11.848 92.282 20.853 1.00 0.00 ATOM 1179 CB ALA 162 13.140 93.009 20.444 1.00 0.00 ATOM 1180 O ALA 162 10.663 94.288 21.466 1.00 0.00 ATOM 1181 C ALA 162 10.673 93.249 20.780 1.00 0.00 ATOM 1182 N ILE 163 9.666 92.914 19.977 1.00 0.00 ATOM 1183 CA ILE 163 8.545 93.809 19.810 1.00 0.00 ATOM 1184 CB ILE 163 7.615 93.342 18.652 1.00 0.00 ATOM 1185 CG1 ILE 163 8.379 93.338 17.329 1.00 0.00 ATOM 1186 CG2 ILE 163 6.316 94.285 18.589 1.00 0.00 ATOM 1187 CD1 ILE 163 7.639 92.672 16.158 1.00 0.00 ATOM 1188 O ILE 163 7.445 92.819 21.692 1.00 0.00 ATOM 1189 C ILE 163 7.726 93.861 21.103 1.00 0.00 ATOM 1190 N GLU 164 7.309 95.053 21.535 1.00 0.00 ATOM 1191 CA GLU 164 6.475 95.120 22.736 1.00 0.00 ATOM 1192 CB GLU 164 6.717 96.430 23.495 1.00 0.00 ATOM 1193 CG GLU 164 8.118 96.496 24.172 1.00 0.00 ATOM 1194 CD GLU 164 8.491 97.896 24.714 1.00 0.00 ATOM 1195 OE1 GLU 164 7.660 98.837 24.660 1.00 0.00 ATOM 1196 OE2 GLU 164 9.637 98.056 25.190 1.00 0.00 ATOM 1197 O GLU 164 4.522 95.828 21.560 1.00 0.00 ATOM 1198 C GLU 164 5.012 94.991 22.316 1.00 0.00 ATOM 1199 N PRO 165 4.313 93.954 22.809 1.00 0.00 ATOM 1200 CA PRO 165 2.942 93.740 22.463 1.00 0.00 ATOM 1201 CB PRO 165 2.753 92.232 22.736 1.00 0.00 ATOM 1202 CG PRO 165 3.625 91.958 23.872 1.00 0.00 ATOM 1203 CD PRO 165 4.794 92.921 23.753 1.00 0.00 ATOM 1204 O PRO 165 2.560 95.180 24.356 1.00 0.00 ATOM 1205 C PRO 165 2.055 94.576 23.380 1.00 0.00 ATOM 1206 N ASN 166 0.753 94.615 23.079 1.00 0.00 ATOM 1207 CA ASN 166 -0.209 95.230 23.990 1.00 0.00 ATOM 1208 CB ASN 166 -1.449 95.723 23.239 1.00 0.00 ATOM 1209 CG ASN 166 -2.335 94.605 22.754 1.00 0.00 ATOM 1210 ND2 ASN 166 -3.202 94.915 21.791 1.00 0.00 ATOM 1211 OD1 ASN 166 -2.226 93.453 23.207 1.00 0.00 ATOM 1212 O ASN 166 0.034 93.171 25.253 1.00 0.00 ATOM 1213 C ASN 166 -0.574 94.251 25.129 1.00 0.00 ATOM 1214 N ASP 167 -1.570 94.596 25.948 1.00 0.00 ATOM 1215 CA ASP 167 -1.846 93.739 27.135 1.00 0.00 ATOM 1216 CB ASP 167 -1.840 94.551 28.445 1.00 0.00 ATOM 1217 CG ASP 167 -2.972 95.565 28.530 1.00 0.00 ATOM 1218 OD1 ASP 167 -3.582 95.936 27.495 1.00 0.00 ATOM 1219 OD2 ASP 167 -3.237 96.020 29.670 1.00 0.00 ATOM 1220 O ASP 167 -3.710 92.435 27.993 1.00 0.00 ATOM 1221 C ASP 167 -3.105 92.877 27.002 1.00 0.00 ATOM 1222 N TYR 168 -3.497 92.604 25.772 1.00 0.00 ATOM 1223 CA TYR 168 -4.681 91.829 25.599 1.00 0.00 ATOM 1224 CB TYR 168 -5.149 91.885 24.154 1.00 0.00 ATOM 1225 CG TYR 168 -6.368 91.076 23.931 1.00 0.00 ATOM 1226 CD1 TYR 168 -7.630 91.612 24.196 1.00 0.00 ATOM 1227 CD2 TYR 168 -6.279 89.752 23.450 1.00 0.00 ATOM 1228 CE1 TYR 168 -8.782 90.847 23.998 1.00 0.00 ATOM 1229 CE2 TYR 168 -7.425 88.993 23.256 1.00 0.00 ATOM 1230 CZ TYR 168 -8.674 89.546 23.523 1.00 0.00 ATOM 1231 OH TYR 168 -9.831 88.792 23.324 1.00 0.00 ATOM 1232 O TYR 168 -3.418 89.770 25.613 1.00 0.00 ATOM 1233 C TYR 168 -4.397 90.407 26.056 1.00 0.00 ATOM 1234 N THR 169 -5.229 89.922 26.980 1.00 0.00 ATOM 1235 CA THR 169 -5.106 88.544 27.475 1.00 0.00 ATOM 1236 CB THR 169 -4.621 88.463 28.949 1.00 0.00 ATOM 1237 CG2 THR 169 -3.273 89.179 29.129 1.00 0.00 ATOM 1238 OG1 THR 169 -5.570 89.102 29.783 1.00 0.00 ATOM 1239 O THR 169 -6.583 86.693 27.863 1.00 0.00 ATOM 1240 C THR 169 -6.426 87.799 27.338 1.00 0.00 ATOM 1241 N GLY 170 -7.366 88.393 26.606 1.00 0.00 ATOM 1242 CA GLY 170 -8.655 87.741 26.408 1.00 0.00 ATOM 1243 O GLY 170 -7.486 86.231 24.944 1.00 0.00 ATOM 1244 C GLY 170 -8.569 86.663 25.349 1.00 0.00 ATOM 1245 N LYS 171 -9.739 86.253 24.898 1.00 0.00 ATOM 1246 CA LYS 171 -9.929 85.168 23.944 1.00 0.00 ATOM 1247 CB LYS 171 -11.431 84.812 24.029 1.00 0.00 ATOM 1248 CG LYS 171 -11.763 83.344 24.085 1.00 0.00 ATOM 1249 CD LYS 171 -13.223 83.099 23.703 1.00 0.00 ATOM 1250 CE LYS 171 -13.451 81.623 23.335 1.00 0.00 ATOM 1251 NZ LYS 171 -14.595 81.467 22.390 1.00 0.00 ATOM 1252 O LYS 171 -10.034 86.641 22.059 1.00 0.00 ATOM 1253 C LYS 171 -9.560 85.598 22.499 1.00 0.00 ATOM 1254 N VAL 172 -8.694 84.852 21.788 1.00 0.00 ATOM 1255 CA VAL 172 -8.711 84.874 20.299 1.00 0.00 ATOM 1256 CB VAL 172 -7.331 85.111 19.585 1.00 0.00 ATOM 1257 CG1 VAL 172 -6.856 86.582 19.688 1.00 0.00 ATOM 1258 CG2 VAL 172 -6.287 84.126 20.051 1.00 0.00 ATOM 1259 O VAL 172 -9.783 82.705 20.451 1.00 0.00 ATOM 1260 C VAL 172 -9.372 83.613 19.709 1.00 0.00 ATOM 1261 N SER 173 -9.467 83.553 18.378 1.00 0.00 ATOM 1262 CA SER 173 -10.152 82.432 17.735 1.00 0.00 ATOM 1263 CB SER 173 -10.166 82.574 16.204 1.00 0.00 ATOM 1264 OG SER 173 -8.934 82.170 15.609 1.00 0.00 ATOM 1265 O SER 173 -8.423 80.883 18.461 1.00 0.00 ATOM 1266 C SER 173 -9.621 81.059 18.195 1.00 0.00 ATOM 1267 N GLU 174 -10.547 80.117 18.310 1.00 0.00 ATOM 1268 CA GLU 174 -10.233 78.715 18.554 1.00 0.00 ATOM 1269 CB GLU 174 -11.469 77.832 18.347 1.00 0.00 ATOM 1270 CG GLU 174 -12.424 77.758 19.534 1.00 0.00 ATOM 1271 CD GLU 174 -13.291 76.498 19.490 1.00 0.00 ATOM 1272 OE1 GLU 174 -14.143 76.366 18.562 1.00 0.00 ATOM 1273 OE2 GLU 174 -13.104 75.632 20.384 1.00 0.00 ATOM 1274 O GLU 174 -8.135 77.634 18.209 1.00 0.00 ATOM 1275 C GLU 174 -9.087 78.201 17.683 1.00 0.00 ATOM 1276 N GLU 175 -9.174 78.403 16.371 1.00 0.00 ATOM 1277 CA GLU 175 -8.110 77.949 15.457 1.00 0.00 ATOM 1278 CB GLU 175 -8.516 78.049 13.976 1.00 0.00 ATOM 1279 CG GLU 175 -8.991 79.407 13.521 1.00 0.00 ATOM 1280 CD GLU 175 -9.925 79.316 12.311 1.00 0.00 ATOM 1281 OE1 GLU 175 -9.845 78.299 11.563 1.00 0.00 ATOM 1282 OE2 GLU 175 -10.748 80.259 12.127 1.00 0.00 ATOM 1283 O GLU 175 -5.725 78.032 15.523 1.00 0.00 ATOM 1284 C GLU 175 -6.781 78.648 15.688 1.00 0.00 ATOM 1285 N ILE 176 -6.824 79.918 16.087 1.00 0.00 ATOM 1286 CA ILE 176 -5.579 80.603 16.414 1.00 0.00 ATOM 1287 CB ILE 176 -5.738 82.134 16.553 1.00 0.00 ATOM 1288 CG1 ILE 176 -6.093 82.782 15.197 1.00 0.00 ATOM 1289 CG2 ILE 176 -4.425 82.744 17.109 1.00 0.00 ATOM 1290 CD1 ILE 176 -6.571 84.283 15.288 1.00 0.00 ATOM 1291 O ILE 176 -3.788 79.714 17.747 1.00 0.00 ATOM 1292 C ILE 176 -4.976 80.010 17.696 1.00 0.00 ATOM 1293 N GLU 177 -5.819 79.838 18.714 1.00 0.00 ATOM 1294 CA GLU 177 -5.395 79.333 20.018 1.00 0.00 ATOM 1295 CB GLU 177 -6.556 79.351 21.015 1.00 0.00 ATOM 1296 CG GLU 177 -6.887 80.746 21.526 1.00 0.00 ATOM 1297 CD GLU 177 -5.744 81.413 22.329 1.00 0.00 ATOM 1298 OE1 GLU 177 -4.731 80.744 22.681 1.00 0.00 ATOM 1299 OE2 GLU 177 -5.873 82.626 22.620 1.00 0.00 ATOM 1300 O GLU 177 -3.746 77.705 20.571 1.00 0.00 ATOM 1301 C GLU 177 -4.771 77.962 19.924 1.00 0.00 ATOM 1302 N ASP 178 -5.349 77.117 19.073 1.00 0.00 ATOM 1303 CA ASP 178 -4.869 75.756 18.878 1.00 0.00 ATOM 1304 CB ASP 178 -5.802 74.969 17.939 1.00 0.00 ATOM 1305 CG ASP 178 -7.241 74.854 18.471 1.00 0.00 ATOM 1306 OD1 ASP 178 -7.471 75.099 19.684 1.00 0.00 ATOM 1307 OD2 ASP 178 -8.149 74.521 17.660 1.00 0.00 ATOM 1308 O ASP 178 -2.577 75.011 18.742 1.00 0.00 ATOM 1309 C ASP 178 -3.457 75.768 18.299 1.00 0.00 ATOM 1310 N ILE 179 -3.238 76.629 17.304 1.00 0.00 ATOM 1311 CA ILE 179 -1.905 76.751 16.699 1.00 0.00 ATOM 1312 CB ILE 179 -1.879 77.730 15.492 1.00 0.00 ATOM 1313 CG1 ILE 179 -2.642 77.121 14.304 1.00 0.00 ATOM 1314 CG2 ILE 179 -0.449 78.012 15.075 1.00 0.00 ATOM 1315 CD1 ILE 179 -2.861 78.071 13.169 1.00 0.00 ATOM 1316 O ILE 179 0.181 76.484 17.805 1.00 0.00 ATOM 1317 C ILE 179 -0.866 77.108 17.753 1.00 0.00 ATOM 1318 N ILE 180 -1.174 78.075 18.611 1.00 0.00 ATOM 1319 CA ILE 180 -0.236 78.478 19.662 1.00 0.00 ATOM 1320 CB ILE 180 -0.673 79.798 20.327 1.00 0.00 ATOM 1321 CG1 ILE 180 -0.597 80.934 19.297 1.00 0.00 ATOM 1322 CG2 ILE 180 0.168 80.130 21.571 1.00 0.00 ATOM 1323 CD1 ILE 180 -1.342 82.122 19.689 1.00 0.00 ATOM 1324 O ILE 180 1.178 76.971 20.898 1.00 0.00 ATOM 1325 C ILE 180 0.017 77.357 20.678 1.00 0.00 ATOM 1326 N LYS 181 -1.060 76.806 21.252 1.00 0.00 ATOM 1327 CA LYS 181 -0.944 75.683 22.198 1.00 0.00 ATOM 1328 CB LYS 181 -2.305 75.061 22.517 1.00 0.00 ATOM 1329 CG LYS 181 -3.297 76.028 23.190 1.00 0.00 ATOM 1330 CD LYS 181 -4.164 75.334 24.261 1.00 0.00 ATOM 1331 CE LYS 181 -5.587 75.928 24.341 1.00 0.00 ATOM 1332 NZ LYS 181 -6.526 75.340 23.308 1.00 0.00 ATOM 1333 O LYS 181 1.020 74.343 22.441 1.00 0.00 ATOM 1334 C LYS 181 0.073 74.634 21.723 1.00 0.00 ATOM 1335 N LYS 182 -0.084 74.101 20.513 1.00 0.00 ATOM 1336 CA LYS 182 0.969 73.258 19.916 1.00 0.00 ATOM 1337 CB LYS 182 0.361 72.235 18.950 1.00 0.00 ATOM 1338 CG LYS 182 -0.354 72.850 17.737 1.00 0.00 ATOM 1339 CD LYS 182 -0.787 71.789 16.721 1.00 0.00 ATOM 1340 CE LYS 182 -2.065 71.040 17.148 1.00 0.00 ATOM 1341 NZ LYS 182 -3.328 71.791 16.815 1.00 0.00 ATOM 1342 O LYS 182 2.938 74.703 19.826 1.00 0.00 ATOM 1343 C LYS 182 2.084 74.059 19.202 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0342.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0342)G54.C and (T0342)T60.C only 0.000 apart, marking (T0342)T60.C as missing WARNING: atoms too close: (T0342)N55.N and (T0342)S61.N only 0.000 apart, marking (T0342)N55.N as missing WARNING: atoms too close: (T0342)N55.CA and (T0342)S61.CA only 0.000 apart, marking (T0342)N55.CA as missing WARNING: atoms too close: (T0342)Q62.C and (T0342)H65.C only 0.000 apart, marking (T0342)H65.C as missing WARNING: atoms too close: (T0342)T63.N and (T0342)G66.N only 0.000 apart, marking (T0342)T63.N as missing WARNING: atoms too close: (T0342)T63.CA and (T0342)G66.CA only 0.000 apart, marking (T0342)T63.CA as missing WARNING: atoms too close: (T0342)G99.C and (T0342)S102.C only 0.000 apart, marking (T0342)S102.C as missing WARNING: atoms too close: (T0342)V100.N and (T0342)G103.N only 0.000 apart, marking (T0342)V100.N as missing WARNING: atoms too close: (T0342)V100.CA and (T0342)G103.CA only 0.000 apart, marking (T0342)V100.CA as missing WARNING: atoms too close: (T0342)I163.C and (T0342)Y168.C only 0.000 apart, marking (T0342)Y168.C as missing WARNING: atoms too close: (T0342)E164.N and (T0342)T169.N only 0.000 apart, marking (T0342)E164.N as missing WARNING: atoms too close: (T0342)E164.CA and (T0342)T169.CA only 0.000 apart, marking (T0342)E164.CA as missing # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.799 # GDT_score = -51.331 # GDT_score(maxd=8.000,maxw=2.900)= -54.120 # GDT_score(maxd=8.000,maxw=3.200)= -51.411 # GDT_score(maxd=8.000,maxw=3.500)= -48.802 # GDT_score(maxd=10.000,maxw=3.800)= -50.784 # GDT_score(maxd=10.000,maxw=4.000)= -49.165 # GDT_score(maxd=10.000,maxw=4.200)= -47.553 # GDT_score(maxd=12.000,maxw=4.300)= -50.226 # GDT_score(maxd=12.000,maxw=4.500)= -48.642 # GDT_score(maxd=12.000,maxw=4.700)= -47.031 # GDT_score(maxd=14.000,maxw=5.200)= -46.005 # GDT_score(maxd=14.000,maxw=5.500)= -43.835 # command:# ReadConformPDB reading from PDB file T0342.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0342)G11.C and (T0342)E15.C only 0.000 apart, marking (T0342)E15.C as missing WARNING: atoms too close: (T0342)P12.N and (T0342)S16.N only 0.000 apart, marking (T0342)P12.N as missing WARNING: atoms too close: (T0342)P12.CA and (T0342)S16.CA only 0.000 apart, marking (T0342)P12.CA as missing WARNING: atoms too close: (T0342)G58.C and (T0342)G67.C only 0.000 apart, marking (T0342)G67.C as missing WARNING: atoms too close: (T0342)K59.N and (T0342)I68.N only 0.000 apart, marking (T0342)K59.N as missing WARNING: atoms too close: (T0342)K59.CA and (T0342)I68.CA only 0.000 apart, marking (T0342)K59.CA as missing WARNING: atoms too close: (T0342)K101.C and (T0342)S102.C only 0.000 apart, marking (T0342)S102.C as missing WARNING: atoms too close: (T0342)S102.N and (T0342)G103.N only 0.000 apart, marking (T0342)S102.N as missing WARNING: atoms too close: (T0342)S102.CA and (T0342)G103.CA only 0.000 apart, marking (T0342)S102.CA as missing # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.609 # GDT_score = -46.154 # GDT_score(maxd=8.000,maxw=2.900)= -47.152 # GDT_score(maxd=8.000,maxw=3.200)= -45.777 # GDT_score(maxd=8.000,maxw=3.500)= -44.128 # GDT_score(maxd=10.000,maxw=3.800)= -45.374 # GDT_score(maxd=10.000,maxw=4.000)= -44.161 # GDT_score(maxd=10.000,maxw=4.200)= -42.949 # GDT_score(maxd=12.000,maxw=4.300)= -44.932 # GDT_score(maxd=12.000,maxw=4.500)= -43.751 # GDT_score(maxd=12.000,maxw=4.700)= -42.543 # GDT_score(maxd=14.000,maxw=5.200)= -41.758 # GDT_score(maxd=14.000,maxw=5.500)= -40.037 # command:# ReadConformPDB reading from PDB file T0342.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0342)S56.C and (T0342)I68.C only 0.000 apart, marking (T0342)I68.C as missing WARNING: atoms too close: (T0342)Q57.N and (T0342)A69.N only 0.000 apart, marking (T0342)Q57.N as missing WARNING: atoms too close: (T0342)Q57.CA and (T0342)A69.CA only 0.000 apart, marking (T0342)Q57.CA as missing WARNING: atoms too close: (T0342)G76.C and (T0342)D77.C only 0.000 apart, marking (T0342)D77.C as missing WARNING: atoms too close: (T0342)D77.N and (T0342)E78.N only 0.000 apart, marking (T0342)D77.N as missing WARNING: atoms too close: (T0342)D77.CA and (T0342)E78.CA only 0.000 apart, marking (T0342)D77.CA as missing WARNING: atoms too close: (T0342)V100.C and (T0342)K101.C only 0.000 apart, marking (T0342)K101.C as missing WARNING: atoms too close: (T0342)K101.N and (T0342)S102.N only 0.000 apart, marking (T0342)K101.N as missing WARNING: atoms too close: (T0342)K101.CA and (T0342)S102.CA only 0.000 apart, marking (T0342)K101.CA as missing WARNING: atoms too close: (T0342)G103.C and (T0342)M104.C only 0.000 apart, marking (T0342)M104.C as missing WARNING: atoms too close: (T0342)M104.N and (T0342)Y105.N only 0.000 apart, marking (T0342)M104.N as missing WARNING: atoms too close: (T0342)M104.CA and (T0342)Y105.CA only 0.000 apart, marking (T0342)M104.CA as missing WARNING: atoms too close: (T0342)K111.C and (T0342)A113.C only 0.000 apart, marking (T0342)A113.C as missing WARNING: atoms too close: (T0342)V112.N and (T0342)T114.N only 0.000 apart, marking (T0342)V112.N as missing WARNING: atoms too close: (T0342)V112.CA and (T0342)T114.CA only 0.000 apart, marking (T0342)V112.CA as missing WARNING: atoms too close: (T0342)K118.C and (T0342)T121.C only 0.000 apart, marking (T0342)T121.C as missing WARNING: atoms too close: (T0342)E119.N and (T0342)C122.N only 0.000 apart, marking (T0342)E119.N as missing WARNING: atoms too close: (T0342)E119.CA and (T0342)C122.CA only 0.000 apart, marking (T0342)E119.CA as missing # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0342.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0342)L51.C and (T0342)Q62.C only 0.000 apart, marking (T0342)Q62.C as missing WARNING: atoms too close: (T0342)D52.N and (T0342)T63.N only 0.000 apart, marking (T0342)D52.N as missing WARNING: atoms too close: (T0342)D52.CA and (T0342)T63.CA only 0.000 apart, marking (T0342)D52.CA as missing WARNING: atoms too close: (T0342)G76.C and (T0342)D77.C only 0.000 apart, marking (T0342)D77.C as missing WARNING: atoms too close: (T0342)D77.N and (T0342)E78.N only 0.000 apart, marking (T0342)D77.N as missing WARNING: atoms too close: (T0342)D77.CA and (T0342)E78.CA only 0.000 apart, marking (T0342)D77.CA as missing WARNING: atoms too close: (T0342)K101.C and (T0342)S102.C only 0.000 apart, marking (T0342)S102.C as missing WARNING: atoms too close: (T0342)S102.N and (T0342)G103.N only 0.000 apart, marking (T0342)S102.N as missing WARNING: atoms too close: (T0342)S102.CA and (T0342)G103.CA only 0.000 apart, marking (T0342)S102.CA as missing WARNING: atoms too close: (T0342)K111.C and (T0342)A113.C only 0.000 apart, marking (T0342)A113.C as missing WARNING: atoms too close: (T0342)V112.N and (T0342)T114.N only 0.000 apart, marking (T0342)V112.N as missing WARNING: atoms too close: (T0342)V112.CA and (T0342)T114.CA only 0.000 apart, marking (T0342)V112.CA as missing WARNING: atoms too close: (T0342)G117.C and (T0342)I120.C only 0.000 apart, marking (T0342)I120.C as missing WARNING: atoms too close: (T0342)K118.N and (T0342)T121.N only 0.000 apart, marking (T0342)K118.N as missing WARNING: atoms too close: (T0342)K118.CA and (T0342)T121.CA only 0.000 apart, marking (T0342)K118.CA as missing # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0342.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0342)G54.C and (T0342)W64.C only 0.000 apart, marking (T0342)W64.C as missing WARNING: atoms too close: (T0342)N55.N and (T0342)H65.N only 0.000 apart, marking (T0342)N55.N as missing WARNING: atoms too close: (T0342)N55.CA and (T0342)H65.CA only 0.000 apart, marking (T0342)N55.CA as missing WARNING: atoms too close: (T0342)I71.C and (T0342)Q73.C only 0.000 apart, marking (T0342)Q73.C as missing WARNING: atoms too close: (T0342)F72.N and (T0342)S74.N only 0.000 apart, marking (T0342)F72.N as missing WARNING: atoms too close: (T0342)F72.CA and (T0342)S74.CA only 0.000 apart, marking (T0342)F72.CA as missing WARNING: atoms too close: (T0342)M104.C and (T0342)V110.C only 0.000 apart, marking (T0342)V110.C as missing WARNING: atoms too close: (T0342)Y105.N and (T0342)K111.N only 0.000 apart, marking (T0342)Y105.N as missing WARNING: atoms too close: (T0342)Y105.CA and (T0342)K111.CA only 0.000 apart, marking (T0342)Y105.CA as missing WARNING: atoms too close: (T0342)T121.C and (T0342)E131.C only 0.000 apart, marking (T0342)E131.C as missing WARNING: atoms too close: (T0342)C122.N and (T0342)S132.N only 0.000 apart, marking (T0342)C122.N as missing WARNING: atoms too close: (T0342)C122.CA and (T0342)S132.CA only 0.000 apart, marking (T0342)C122.CA as missing # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # command:# naming current conformation align5 # command:# Prefix for input files set to decoys/ # command:# reading script from file read-pdb+servers.under # ReadConformPDB reading from PDB file ../model1.ts-submitted looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try30-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try30-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try30-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try30-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try30-opt2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try30-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try31-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try31-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try31-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try31-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try31-opt2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try31-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try32-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try32-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try32-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try32-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try32-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try32-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try33-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try33-opt1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try33-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try33-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try33-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try33-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try34-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try34-opt1.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try34-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try34-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try34-opt2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try34-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try35-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try35-opt1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try35-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try35-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try35-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try35-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try36-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try36-opt1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try36-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try36-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try36-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try36-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try37-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try37-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try37-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try37-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try37-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try37-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try38-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try38-opt1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try38-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try38-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try38-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try38-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try39-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try39-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try39-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try39-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try39-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try39-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try40-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try40-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try40-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try40-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try40-opt2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try40-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try41-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try41-opt1.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try41-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try41-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try41-opt2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try41-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try42-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try42-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try42-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try42-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try42-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try42-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try43-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try43-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try43-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try43-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try43-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try43-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try44-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try44-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try44-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try44-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try44-opt2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try44-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try45-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try45-opt1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try45-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try45-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try45-opt2.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try45-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try46-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try46-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try46-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try46-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try46-opt2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try46-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try47-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try47-opt1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try47-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try47-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try47-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try47-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try48-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try48-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try48-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try48-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try48-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try48-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try49-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try49-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try49-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try49-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try49-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try49-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try50-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try50-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try50-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try50-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try50-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try50-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try51-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try51-opt1.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try51-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try51-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try51-opt2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try51-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try52-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try52-opt1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try52-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try52-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try52-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try52-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try53-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try53-opt1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try53-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try53-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try53-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try53-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try54-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try54-opt1.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try54-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try54-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try54-opt2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try54-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try55-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try55-opt1.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try55-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try55-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try55-opt2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try55-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try56-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try56-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try56-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try56-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try56-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try56-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try57-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try57-opt1.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try57-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try57-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try57-opt2.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try57-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0342.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-19-1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-22-2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-22-shifted.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-23-shifted4-2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-35-2-2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-35-2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-39-1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file try24-shifted4.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file try24-shifted4.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file try24-shifted4.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0342.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0342.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0342.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0342.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0342.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0342.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0342.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v30-24-shifted.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v30-24-shifted # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v30-24-shifted3.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v30-24-shifted3 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v30-24-shifted4-repack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v30-24-shifted4-repack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v30-24-shifted4.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v30-24-shifted4 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v30-chimera-22-2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v30-chimera-22-2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v30-try16.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v30-try16 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v30-try24.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v30-try24 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_86843440.pdb -s /var/tmp/to_scwrl_86843440.seq -o /var/tmp/from_scwrl_86843440.pdb > /var/tmp/scwrl_86843440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86843440.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1765607767.pdb -s /var/tmp/to_scwrl_1765607767.seq -o /var/tmp/from_scwrl_1765607767.pdb > /var/tmp/scwrl_1765607767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1765607767.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_701754070.pdb -s /var/tmp/to_scwrl_701754070.seq -o /var/tmp/from_scwrl_701754070.pdb > /var/tmp/scwrl_701754070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701754070.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1117009469.pdb -s /var/tmp/to_scwrl_1117009469.seq -o /var/tmp/from_scwrl_1117009469.pdb > /var/tmp/scwrl_1117009469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117009469.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_349746009.pdb -s /var/tmp/to_scwrl_349746009.seq -o /var/tmp/from_scwrl_349746009.pdb > /var/tmp/scwrl_349746009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_349746009.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_908773685.pdb -s /var/tmp/to_scwrl_908773685.seq -o /var/tmp/from_scwrl_908773685.pdb > /var/tmp/scwrl_908773685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908773685.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1623280678.pdb -s /var/tmp/to_scwrl_1623280678.seq -o /var/tmp/from_scwrl_1623280678.pdb > /var/tmp/scwrl_1623280678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1623280678.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_411441222.pdb -s /var/tmp/to_scwrl_411441222.seq -o /var/tmp/from_scwrl_411441222.pdb > /var/tmp/scwrl_411441222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_411441222.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1451603527.pdb -s /var/tmp/to_scwrl_1451603527.seq -o /var/tmp/from_scwrl_1451603527.pdb > /var/tmp/scwrl_1451603527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451603527.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1204776161.pdb -s /var/tmp/to_scwrl_1204776161.seq -o /var/tmp/from_scwrl_1204776161.pdb > /var/tmp/scwrl_1204776161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204776161.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1374080701.pdb -s /var/tmp/to_scwrl_1374080701.seq -o /var/tmp/from_scwrl_1374080701.pdb > /var/tmp/scwrl_1374080701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374080701.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1854104697.pdb -s /var/tmp/to_scwrl_1854104697.seq -o /var/tmp/from_scwrl_1854104697.pdb > /var/tmp/scwrl_1854104697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1854104697.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1104540004.pdb -s /var/tmp/to_scwrl_1104540004.seq -o /var/tmp/from_scwrl_1104540004.pdb > /var/tmp/scwrl_1104540004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104540004.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1034470332.pdb -s /var/tmp/to_scwrl_1034470332.seq -o /var/tmp/from_scwrl_1034470332.pdb > /var/tmp/scwrl_1034470332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1034470332.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1800505922.pdb -s /var/tmp/to_scwrl_1800505922.seq -o /var/tmp/from_scwrl_1800505922.pdb > /var/tmp/scwrl_1800505922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800505922.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_875413493.pdb -s /var/tmp/to_scwrl_875413493.seq -o /var/tmp/from_scwrl_875413493.pdb > /var/tmp/scwrl_875413493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875413493.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_464795671.pdb -s /var/tmp/to_scwrl_464795671.seq -o /var/tmp/from_scwrl_464795671.pdb > /var/tmp/scwrl_464795671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464795671.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1742706400.pdb -s /var/tmp/to_scwrl_1742706400.seq -o /var/tmp/from_scwrl_1742706400.pdb > /var/tmp/scwrl_1742706400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1742706400.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_86953450.pdb -s /var/tmp/to_scwrl_86953450.seq -o /var/tmp/from_scwrl_86953450.pdb > /var/tmp/scwrl_86953450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86953450.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_369941562.pdb -s /var/tmp/to_scwrl_369941562.seq -o /var/tmp/from_scwrl_369941562.pdb > /var/tmp/scwrl_369941562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369941562.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2094552818.pdb -s /var/tmp/to_scwrl_2094552818.seq -o /var/tmp/from_scwrl_2094552818.pdb > /var/tmp/scwrl_2094552818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2094552818.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1548281235.pdb -s /var/tmp/to_scwrl_1548281235.seq -o /var/tmp/from_scwrl_1548281235.pdb > /var/tmp/scwrl_1548281235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1548281235.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1962344566.pdb -s /var/tmp/to_scwrl_1962344566.seq -o /var/tmp/from_scwrl_1962344566.pdb > /var/tmp/scwrl_1962344566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962344566.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1550491853.pdb -s /var/tmp/to_scwrl_1550491853.seq -o /var/tmp/from_scwrl_1550491853.pdb > /var/tmp/scwrl_1550491853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550491853.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_632864969.pdb -s /var/tmp/to_scwrl_632864969.seq -o /var/tmp/from_scwrl_632864969.pdb > /var/tmp/scwrl_632864969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632864969.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1343344709.pdb -s /var/tmp/to_scwrl_1343344709.seq -o /var/tmp/from_scwrl_1343344709.pdb > /var/tmp/scwrl_1343344709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343344709.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_901319259.pdb -s /var/tmp/to_scwrl_901319259.seq -o /var/tmp/from_scwrl_901319259.pdb > /var/tmp/scwrl_901319259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901319259.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_132030481.pdb -s /var/tmp/to_scwrl_132030481.seq -o /var/tmp/from_scwrl_132030481.pdb > /var/tmp/scwrl_132030481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132030481.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_916178528.pdb -s /var/tmp/to_scwrl_916178528.seq -o /var/tmp/from_scwrl_916178528.pdb > /var/tmp/scwrl_916178528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916178528.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1172029390.pdb -s /var/tmp/to_scwrl_1172029390.seq -o /var/tmp/from_scwrl_1172029390.pdb > /var/tmp/scwrl_1172029390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1172029390.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_838169636.pdb -s /var/tmp/to_scwrl_838169636.seq -o /var/tmp/from_scwrl_838169636.pdb > /var/tmp/scwrl_838169636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838169636.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1003021969.pdb -s /var/tmp/to_scwrl_1003021969.seq -o /var/tmp/from_scwrl_1003021969.pdb > /var/tmp/scwrl_1003021969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003021969.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_790153512.pdb -s /var/tmp/to_scwrl_790153512.seq -o /var/tmp/from_scwrl_790153512.pdb > /var/tmp/scwrl_790153512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790153512.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1539923706.pdb -s /var/tmp/to_scwrl_1539923706.seq -o /var/tmp/from_scwrl_1539923706.pdb > /var/tmp/scwrl_1539923706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539923706.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2120031438.pdb -s /var/tmp/to_scwrl_2120031438.seq -o /var/tmp/from_scwrl_2120031438.pdb > /var/tmp/scwrl_2120031438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120031438.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1139899520.pdb -s /var/tmp/to_scwrl_1139899520.seq -o /var/tmp/from_scwrl_1139899520.pdb > /var/tmp/scwrl_1139899520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139899520.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_301213744.pdb -s /var/tmp/to_scwrl_301213744.seq -o /var/tmp/from_scwrl_301213744.pdb > /var/tmp/scwrl_301213744.log Error: Couldn't open file /var/tmp/from_scwrl_301213744.pdb or /var/tmp/from_scwrl_301213744.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_301213744_b.pdb or decoys//var/tmp/from_scwrl_301213744_b.pdb.gz for input Trying /var/tmp/from_scwrl_301213744_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_301213744_b.pdb or /var/tmp/from_scwrl_301213744_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_301213744_a.pdb or decoys//var/tmp/from_scwrl_301213744_a.pdb.gz for input Trying /var/tmp/from_scwrl_301213744_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_301213744_a.pdb or /var/tmp/from_scwrl_301213744_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_301213744.pdb or /var/tmp/from_scwrl_301213744_b.pdb or /var/tmp/from_scwrl_301213744_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS1-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1595828469.pdb -s /var/tmp/to_scwrl_1595828469.seq -o /var/tmp/from_scwrl_1595828469.pdb > /var/tmp/scwrl_1595828469.log Error: Couldn't open file /var/tmp/from_scwrl_1595828469.pdb or /var/tmp/from_scwrl_1595828469.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595828469_b.pdb or decoys//var/tmp/from_scwrl_1595828469_b.pdb.gz for input Trying /var/tmp/from_scwrl_1595828469_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595828469_b.pdb or /var/tmp/from_scwrl_1595828469_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595828469_a.pdb or decoys//var/tmp/from_scwrl_1595828469_a.pdb.gz for input Trying /var/tmp/from_scwrl_1595828469_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595828469_a.pdb or /var/tmp/from_scwrl_1595828469_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1595828469.pdb or /var/tmp/from_scwrl_1595828469_b.pdb or /var/tmp/from_scwrl_1595828469_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS2-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1551340743.pdb -s /var/tmp/to_scwrl_1551340743.seq -o /var/tmp/from_scwrl_1551340743.pdb > /var/tmp/scwrl_1551340743.log Error: Couldn't open file /var/tmp/from_scwrl_1551340743.pdb or /var/tmp/from_scwrl_1551340743.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1551340743_b.pdb or decoys//var/tmp/from_scwrl_1551340743_b.pdb.gz for input Trying /var/tmp/from_scwrl_1551340743_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1551340743_b.pdb or /var/tmp/from_scwrl_1551340743_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1551340743_a.pdb or decoys//var/tmp/from_scwrl_1551340743_a.pdb.gz for input Trying /var/tmp/from_scwrl_1551340743_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1551340743_a.pdb or /var/tmp/from_scwrl_1551340743_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1551340743.pdb or /var/tmp/from_scwrl_1551340743_b.pdb or /var/tmp/from_scwrl_1551340743_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS3-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1752817271.pdb -s /var/tmp/to_scwrl_1752817271.seq -o /var/tmp/from_scwrl_1752817271.pdb > /var/tmp/scwrl_1752817271.log Error: Couldn't open file /var/tmp/from_scwrl_1752817271.pdb or /var/tmp/from_scwrl_1752817271.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752817271_b.pdb or decoys//var/tmp/from_scwrl_1752817271_b.pdb.gz for input Trying /var/tmp/from_scwrl_1752817271_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752817271_b.pdb or /var/tmp/from_scwrl_1752817271_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752817271_a.pdb or decoys//var/tmp/from_scwrl_1752817271_a.pdb.gz for input Trying /var/tmp/from_scwrl_1752817271_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752817271_a.pdb or /var/tmp/from_scwrl_1752817271_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1752817271.pdb or /var/tmp/from_scwrl_1752817271_b.pdb or /var/tmp/from_scwrl_1752817271_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS4-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_653120985.pdb -s /var/tmp/to_scwrl_653120985.seq -o /var/tmp/from_scwrl_653120985.pdb > /var/tmp/scwrl_653120985.log Error: Couldn't open file /var/tmp/from_scwrl_653120985.pdb or /var/tmp/from_scwrl_653120985.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_653120985_b.pdb or decoys//var/tmp/from_scwrl_653120985_b.pdb.gz for input Trying /var/tmp/from_scwrl_653120985_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_653120985_b.pdb or /var/tmp/from_scwrl_653120985_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_653120985_a.pdb or decoys//var/tmp/from_scwrl_653120985_a.pdb.gz for input Trying /var/tmp/from_scwrl_653120985_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_653120985_a.pdb or /var/tmp/from_scwrl_653120985_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_653120985.pdb or /var/tmp/from_scwrl_653120985_b.pdb or /var/tmp/from_scwrl_653120985_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_777937798.pdb -s /var/tmp/to_scwrl_777937798.seq -o /var/tmp/from_scwrl_777937798.pdb > /var/tmp/scwrl_777937798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777937798.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1459438321.pdb -s /var/tmp/to_scwrl_1459438321.seq -o /var/tmp/from_scwrl_1459438321.pdb > /var/tmp/scwrl_1459438321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1459438321.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1757660989.pdb -s /var/tmp/to_scwrl_1757660989.seq -o /var/tmp/from_scwrl_1757660989.pdb > /var/tmp/scwrl_1757660989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757660989.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1812408129.pdb -s /var/tmp/to_scwrl_1812408129.seq -o /var/tmp/from_scwrl_1812408129.pdb > /var/tmp/scwrl_1812408129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812408129.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1112460596.pdb -s /var/tmp/to_scwrl_1112460596.seq -o /var/tmp/from_scwrl_1112460596.pdb > /var/tmp/scwrl_1112460596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112460596.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_485590835.pdb -s /var/tmp/to_scwrl_485590835.seq -o /var/tmp/from_scwrl_485590835.pdb > /var/tmp/scwrl_485590835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485590835.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_129720154.pdb -s /var/tmp/to_scwrl_129720154.seq -o /var/tmp/from_scwrl_129720154.pdb > /var/tmp/scwrl_129720154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129720154.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_707683350.pdb -s /var/tmp/to_scwrl_707683350.seq -o /var/tmp/from_scwrl_707683350.pdb > /var/tmp/scwrl_707683350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707683350.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_572544286.pdb -s /var/tmp/to_scwrl_572544286.seq -o /var/tmp/from_scwrl_572544286.pdb > /var/tmp/scwrl_572544286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572544286.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_499661716.pdb -s /var/tmp/to_scwrl_499661716.seq -o /var/tmp/from_scwrl_499661716.pdb > /var/tmp/scwrl_499661716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499661716.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_654752522.pdb -s /var/tmp/to_scwrl_654752522.seq -o /var/tmp/from_scwrl_654752522.pdb > /var/tmp/scwrl_654752522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654752522.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2120825521.pdb -s /var/tmp/to_scwrl_2120825521.seq -o /var/tmp/from_scwrl_2120825521.pdb > /var/tmp/scwrl_2120825521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120825521.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_314522636.pdb -s /var/tmp/to_scwrl_314522636.seq -o /var/tmp/from_scwrl_314522636.pdb > /var/tmp/scwrl_314522636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314522636.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_57760728.pdb -s /var/tmp/to_scwrl_57760728.seq -o /var/tmp/from_scwrl_57760728.pdb > /var/tmp/scwrl_57760728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57760728.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_606206843.pdb -s /var/tmp/to_scwrl_606206843.seq -o /var/tmp/from_scwrl_606206843.pdb > /var/tmp/scwrl_606206843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_606206843.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1657867345.pdb -s /var/tmp/to_scwrl_1657867345.seq -o /var/tmp/from_scwrl_1657867345.pdb > /var/tmp/scwrl_1657867345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657867345.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_959079987.pdb -s /var/tmp/to_scwrl_959079987.seq -o /var/tmp/from_scwrl_959079987.pdb > /var/tmp/scwrl_959079987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959079987.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_738237324.pdb -s /var/tmp/to_scwrl_738237324.seq -o /var/tmp/from_scwrl_738237324.pdb > /var/tmp/scwrl_738237324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738237324.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_426562226.pdb -s /var/tmp/to_scwrl_426562226.seq -o /var/tmp/from_scwrl_426562226.pdb > /var/tmp/scwrl_426562226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_426562226.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2131109377.pdb -s /var/tmp/to_scwrl_2131109377.seq -o /var/tmp/from_scwrl_2131109377.pdb > /var/tmp/scwrl_2131109377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131109377.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1576406960.pdb -s /var/tmp/to_scwrl_1576406960.seq -o /var/tmp/from_scwrl_1576406960.pdb > /var/tmp/scwrl_1576406960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576406960.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1429584194.pdb -s /var/tmp/to_scwrl_1429584194.seq -o /var/tmp/from_scwrl_1429584194.pdb > /var/tmp/scwrl_1429584194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429584194.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_773779242.pdb -s /var/tmp/to_scwrl_773779242.seq -o /var/tmp/from_scwrl_773779242.pdb > /var/tmp/scwrl_773779242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773779242.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_968847020.pdb -s /var/tmp/to_scwrl_968847020.seq -o /var/tmp/from_scwrl_968847020.pdb > /var/tmp/scwrl_968847020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968847020.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1402131986.pdb -s /var/tmp/to_scwrl_1402131986.seq -o /var/tmp/from_scwrl_1402131986.pdb > /var/tmp/scwrl_1402131986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402131986.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1913678763.pdb -s /var/tmp/to_scwrl_1913678763.seq -o /var/tmp/from_scwrl_1913678763.pdb > /var/tmp/scwrl_1913678763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913678763.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1270060763.pdb -s /var/tmp/to_scwrl_1270060763.seq -o /var/tmp/from_scwrl_1270060763.pdb > /var/tmp/scwrl_1270060763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1270060763.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_850476809.pdb -s /var/tmp/to_scwrl_850476809.seq -o /var/tmp/from_scwrl_850476809.pdb > /var/tmp/scwrl_850476809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_850476809.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1317535859.pdb -s /var/tmp/to_scwrl_1317535859.seq -o /var/tmp/from_scwrl_1317535859.pdb > /var/tmp/scwrl_1317535859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1317535859.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_875394388.pdb -s /var/tmp/to_scwrl_875394388.seq -o /var/tmp/from_scwrl_875394388.pdb > /var/tmp/scwrl_875394388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875394388.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1503597793.pdb -s /var/tmp/to_scwrl_1503597793.seq -o /var/tmp/from_scwrl_1503597793.pdb > /var/tmp/scwrl_1503597793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1503597793.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2095473657.pdb -s /var/tmp/to_scwrl_2095473657.seq -o /var/tmp/from_scwrl_2095473657.pdb > /var/tmp/scwrl_2095473657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095473657.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_187349063.pdb -s /var/tmp/to_scwrl_187349063.seq -o /var/tmp/from_scwrl_187349063.pdb > /var/tmp/scwrl_187349063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187349063.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1113775135.pdb -s /var/tmp/to_scwrl_1113775135.seq -o /var/tmp/from_scwrl_1113775135.pdb > /var/tmp/scwrl_1113775135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1113775135.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1760398139.pdb -s /var/tmp/to_scwrl_1760398139.seq -o /var/tmp/from_scwrl_1760398139.pdb > /var/tmp/scwrl_1760398139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1760398139.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1299809659.pdb -s /var/tmp/to_scwrl_1299809659.seq -o /var/tmp/from_scwrl_1299809659.pdb > /var/tmp/scwrl_1299809659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299809659.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1599365971.pdb -s /var/tmp/to_scwrl_1599365971.seq -o /var/tmp/from_scwrl_1599365971.pdb > /var/tmp/scwrl_1599365971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599365971.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1890118293.pdb -s /var/tmp/to_scwrl_1890118293.seq -o /var/tmp/from_scwrl_1890118293.pdb > /var/tmp/scwrl_1890118293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890118293.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2007493010.pdb -s /var/tmp/to_scwrl_2007493010.seq -o /var/tmp/from_scwrl_2007493010.pdb > /var/tmp/scwrl_2007493010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007493010.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_24426610.pdb -s /var/tmp/to_scwrl_24426610.seq -o /var/tmp/from_scwrl_24426610.pdb > /var/tmp/scwrl_24426610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24426610.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_242296363.pdb -s /var/tmp/to_scwrl_242296363.seq -o /var/tmp/from_scwrl_242296363.pdb > /var/tmp/scwrl_242296363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242296363.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_514761885.pdb -s /var/tmp/to_scwrl_514761885.seq -o /var/tmp/from_scwrl_514761885.pdb > /var/tmp/scwrl_514761885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514761885.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2145252131.pdb -s /var/tmp/to_scwrl_2145252131.seq -o /var/tmp/from_scwrl_2145252131.pdb > /var/tmp/scwrl_2145252131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145252131.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_556818999.pdb -s /var/tmp/to_scwrl_556818999.seq -o /var/tmp/from_scwrl_556818999.pdb > /var/tmp/scwrl_556818999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556818999.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_572522613.pdb -s /var/tmp/to_scwrl_572522613.seq -o /var/tmp/from_scwrl_572522613.pdb > /var/tmp/scwrl_572522613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572522613.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_603975328.pdb -s /var/tmp/to_scwrl_603975328.seq -o /var/tmp/from_scwrl_603975328.pdb > /var/tmp/scwrl_603975328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603975328.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_67202697.pdb -s /var/tmp/to_scwrl_67202697.seq -o /var/tmp/from_scwrl_67202697.pdb > /var/tmp/scwrl_67202697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67202697.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1531602599.pdb -s /var/tmp/to_scwrl_1531602599.seq -o /var/tmp/from_scwrl_1531602599.pdb > /var/tmp/scwrl_1531602599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531602599.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1342212651.pdb -s /var/tmp/to_scwrl_1342212651.seq -o /var/tmp/from_scwrl_1342212651.pdb > /var/tmp/scwrl_1342212651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1342212651.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_493764923.pdb -s /var/tmp/to_scwrl_493764923.seq -o /var/tmp/from_scwrl_493764923.pdb > /var/tmp/scwrl_493764923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493764923.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1515228329.pdb -s /var/tmp/to_scwrl_1515228329.seq -o /var/tmp/from_scwrl_1515228329.pdb > /var/tmp/scwrl_1515228329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1515228329.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_771135965.pdb -s /var/tmp/to_scwrl_771135965.seq -o /var/tmp/from_scwrl_771135965.pdb > /var/tmp/scwrl_771135965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771135965.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1923349118.pdb -s /var/tmp/to_scwrl_1923349118.seq -o /var/tmp/from_scwrl_1923349118.pdb > /var/tmp/scwrl_1923349118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1923349118.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_141523925.pdb -s /var/tmp/to_scwrl_141523925.seq -o /var/tmp/from_scwrl_141523925.pdb > /var/tmp/scwrl_141523925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_141523925.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1739982984.pdb -s /var/tmp/to_scwrl_1739982984.seq -o /var/tmp/from_scwrl_1739982984.pdb > /var/tmp/scwrl_1739982984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1739982984.pdb # conformation set from SCWRL output # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1177997457.pdb -s /var/tmp/to_scwrl_1177997457.seq -o /var/tmp/from_scwrl_1177997457.pdb > /var/tmp/scwrl_1177997457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177997457.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2055202688.pdb -s /var/tmp/to_scwrl_2055202688.seq -o /var/tmp/from_scwrl_2055202688.pdb > /var/tmp/scwrl_2055202688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055202688.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_862560101.pdb -s /var/tmp/to_scwrl_862560101.seq -o /var/tmp/from_scwrl_862560101.pdb > /var/tmp/scwrl_862560101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862560101.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2028474266.pdb -s /var/tmp/to_scwrl_2028474266.seq -o /var/tmp/from_scwrl_2028474266.pdb > /var/tmp/scwrl_2028474266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028474266.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1225254900.pdb -s /var/tmp/to_scwrl_1225254900.seq -o /var/tmp/from_scwrl_1225254900.pdb > /var/tmp/scwrl_1225254900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225254900.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1737954489.pdb -s /var/tmp/to_scwrl_1737954489.seq -o /var/tmp/from_scwrl_1737954489.pdb > /var/tmp/scwrl_1737954489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737954489.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1384588413.pdb -s /var/tmp/to_scwrl_1384588413.seq -o /var/tmp/from_scwrl_1384588413.pdb > /var/tmp/scwrl_1384588413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384588413.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1173244910.pdb -s /var/tmp/to_scwrl_1173244910.seq -o /var/tmp/from_scwrl_1173244910.pdb > /var/tmp/scwrl_1173244910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173244910.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1925303552.pdb -s /var/tmp/to_scwrl_1925303552.seq -o /var/tmp/from_scwrl_1925303552.pdb > /var/tmp/scwrl_1925303552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925303552.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_350879902.pdb -s /var/tmp/to_scwrl_350879902.seq -o /var/tmp/from_scwrl_350879902.pdb > /var/tmp/scwrl_350879902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_350879902.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_786159403.pdb -s /var/tmp/to_scwrl_786159403.seq -o /var/tmp/from_scwrl_786159403.pdb > /var/tmp/scwrl_786159403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786159403.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1077629564.pdb -s /var/tmp/to_scwrl_1077629564.seq -o /var/tmp/from_scwrl_1077629564.pdb > /var/tmp/scwrl_1077629564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077629564.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1950245873.pdb -s /var/tmp/to_scwrl_1950245873.seq -o /var/tmp/from_scwrl_1950245873.pdb > /var/tmp/scwrl_1950245873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1950245873.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 17 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_528794050.pdb -s /var/tmp/to_scwrl_528794050.seq -o /var/tmp/from_scwrl_528794050.pdb > /var/tmp/scwrl_528794050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528794050.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_937638928.pdb -s /var/tmp/to_scwrl_937638928.seq -o /var/tmp/from_scwrl_937638928.pdb > /var/tmp/scwrl_937638928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_937638928.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1974672483.pdb -s /var/tmp/to_scwrl_1974672483.seq -o /var/tmp/from_scwrl_1974672483.pdb > /var/tmp/scwrl_1974672483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974672483.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_771090413.pdb -s /var/tmp/to_scwrl_771090413.seq -o /var/tmp/from_scwrl_771090413.pdb > /var/tmp/scwrl_771090413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771090413.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1452400812.pdb -s /var/tmp/to_scwrl_1452400812.seq -o /var/tmp/from_scwrl_1452400812.pdb > /var/tmp/scwrl_1452400812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1452400812.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1972440968.pdb -s /var/tmp/to_scwrl_1972440968.seq -o /var/tmp/from_scwrl_1972440968.pdb > /var/tmp/scwrl_1972440968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972440968.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1327909411.pdb -s /var/tmp/to_scwrl_1327909411.seq -o /var/tmp/from_scwrl_1327909411.pdb > /var/tmp/scwrl_1327909411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1327909411.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 17 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2024923425.pdb -s /var/tmp/to_scwrl_2024923425.seq -o /var/tmp/from_scwrl_2024923425.pdb > /var/tmp/scwrl_2024923425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2024923425.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_428932649.pdb -s /var/tmp/to_scwrl_428932649.seq -o /var/tmp/from_scwrl_428932649.pdb > /var/tmp/scwrl_428932649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428932649.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1395112108.pdb -s /var/tmp/to_scwrl_1395112108.seq -o /var/tmp/from_scwrl_1395112108.pdb > /var/tmp/scwrl_1395112108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395112108.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1409042377.pdb -s /var/tmp/to_scwrl_1409042377.seq -o /var/tmp/from_scwrl_1409042377.pdb > /var/tmp/scwrl_1409042377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409042377.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1771145300.pdb -s /var/tmp/to_scwrl_1771145300.seq -o /var/tmp/from_scwrl_1771145300.pdb > /var/tmp/scwrl_1771145300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771145300.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1888877031.pdb -s /var/tmp/to_scwrl_1888877031.seq -o /var/tmp/from_scwrl_1888877031.pdb > /var/tmp/scwrl_1888877031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1888877031.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 WARNING: atom 1 has residue number 9 < previous residue 188 in servers/NN_PUT_lab_TS1.pdb.gz # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_776787061.pdb -s /var/tmp/to_scwrl_776787061.seq -o /var/tmp/from_scwrl_776787061.pdb > /var/tmp/scwrl_776787061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776787061.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_394797619.pdb -s /var/tmp/to_scwrl_394797619.seq -o /var/tmp/from_scwrl_394797619.pdb > /var/tmp/scwrl_394797619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394797619.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1664742502.pdb -s /var/tmp/to_scwrl_1664742502.seq -o /var/tmp/from_scwrl_1664742502.pdb > /var/tmp/scwrl_1664742502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664742502.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_918310986.pdb -s /var/tmp/to_scwrl_918310986.seq -o /var/tmp/from_scwrl_918310986.pdb > /var/tmp/scwrl_918310986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918310986.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 2 < previous residue 188 in servers/POMYSL_TS4.pdb.gz # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2134780603.pdb -s /var/tmp/to_scwrl_2134780603.seq -o /var/tmp/from_scwrl_2134780603.pdb > /var/tmp/scwrl_2134780603.log Error: Couldn't open file /var/tmp/from_scwrl_2134780603.pdb or /var/tmp/from_scwrl_2134780603.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2134780603_b.pdb or decoys//var/tmp/from_scwrl_2134780603_b.pdb.gz for input Trying /var/tmp/from_scwrl_2134780603_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2134780603_b.pdb or /var/tmp/from_scwrl_2134780603_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2134780603_a.pdb or decoys//var/tmp/from_scwrl_2134780603_a.pdb.gz for input Trying /var/tmp/from_scwrl_2134780603_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2134780603_a.pdb or /var/tmp/from_scwrl_2134780603_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2134780603.pdb or /var/tmp/from_scwrl_2134780603_b.pdb or /var/tmp/from_scwrl_2134780603_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_695256313.pdb -s /var/tmp/to_scwrl_695256313.seq -o /var/tmp/from_scwrl_695256313.pdb > /var/tmp/scwrl_695256313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695256313.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_826030027.pdb -s /var/tmp/to_scwrl_826030027.seq -o /var/tmp/from_scwrl_826030027.pdb > /var/tmp/scwrl_826030027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826030027.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_849857058.pdb -s /var/tmp/to_scwrl_849857058.seq -o /var/tmp/from_scwrl_849857058.pdb > /var/tmp/scwrl_849857058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849857058.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_576246933.pdb -s /var/tmp/to_scwrl_576246933.seq -o /var/tmp/from_scwrl_576246933.pdb > /var/tmp/scwrl_576246933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576246933.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2051284927.pdb -s /var/tmp/to_scwrl_2051284927.seq -o /var/tmp/from_scwrl_2051284927.pdb > /var/tmp/scwrl_2051284927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051284927.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_440327900.pdb -s /var/tmp/to_scwrl_440327900.seq -o /var/tmp/from_scwrl_440327900.pdb > /var/tmp/scwrl_440327900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440327900.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1960835346.pdb -s /var/tmp/to_scwrl_1960835346.seq -o /var/tmp/from_scwrl_1960835346.pdb > /var/tmp/scwrl_1960835346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1960835346.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1077046190.pdb -s /var/tmp/to_scwrl_1077046190.seq -o /var/tmp/from_scwrl_1077046190.pdb > /var/tmp/scwrl_1077046190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077046190.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_218147805.pdb -s /var/tmp/to_scwrl_218147805.seq -o /var/tmp/from_scwrl_218147805.pdb > /var/tmp/scwrl_218147805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218147805.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_164231601.pdb -s /var/tmp/to_scwrl_164231601.seq -o /var/tmp/from_scwrl_164231601.pdb > /var/tmp/scwrl_164231601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164231601.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1863205593.pdb -s /var/tmp/to_scwrl_1863205593.seq -o /var/tmp/from_scwrl_1863205593.pdb > /var/tmp/scwrl_1863205593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863205593.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1295777369.pdb -s /var/tmp/to_scwrl_1295777369.seq -o /var/tmp/from_scwrl_1295777369.pdb > /var/tmp/scwrl_1295777369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1295777369.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2114477475.pdb -s /var/tmp/to_scwrl_2114477475.seq -o /var/tmp/from_scwrl_2114477475.pdb > /var/tmp/scwrl_2114477475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114477475.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_244515996.pdb -s /var/tmp/to_scwrl_244515996.seq -o /var/tmp/from_scwrl_244515996.pdb > /var/tmp/scwrl_244515996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244515996.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_85932651.pdb -s /var/tmp/to_scwrl_85932651.seq -o /var/tmp/from_scwrl_85932651.pdb > /var/tmp/scwrl_85932651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85932651.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1941666311.pdb -s /var/tmp/to_scwrl_1941666311.seq -o /var/tmp/from_scwrl_1941666311.pdb > /var/tmp/scwrl_1941666311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1941666311.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1015606409.pdb -s /var/tmp/to_scwrl_1015606409.seq -o /var/tmp/from_scwrl_1015606409.pdb > /var/tmp/scwrl_1015606409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015606409.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1538333463.pdb -s /var/tmp/to_scwrl_1538333463.seq -o /var/tmp/from_scwrl_1538333463.pdb > /var/tmp/scwrl_1538333463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538333463.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1766623632.pdb -s /var/tmp/to_scwrl_1766623632.seq -o /var/tmp/from_scwrl_1766623632.pdb > /var/tmp/scwrl_1766623632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766623632.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_196032173.pdb -s /var/tmp/to_scwrl_196032173.seq -o /var/tmp/from_scwrl_196032173.pdb > /var/tmp/scwrl_196032173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196032173.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1415773242.pdb -s /var/tmp/to_scwrl_1415773242.seq -o /var/tmp/from_scwrl_1415773242.pdb > /var/tmp/scwrl_1415773242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415773242.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_48072634.pdb -s /var/tmp/to_scwrl_48072634.seq -o /var/tmp/from_scwrl_48072634.pdb > /var/tmp/scwrl_48072634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48072634.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1591144281.pdb -s /var/tmp/to_scwrl_1591144281.seq -o /var/tmp/from_scwrl_1591144281.pdb > /var/tmp/scwrl_1591144281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591144281.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_677331973.pdb -s /var/tmp/to_scwrl_677331973.seq -o /var/tmp/from_scwrl_677331973.pdb > /var/tmp/scwrl_677331973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_677331973.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1819217935.pdb -s /var/tmp/to_scwrl_1819217935.seq -o /var/tmp/from_scwrl_1819217935.pdb > /var/tmp/scwrl_1819217935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819217935.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1332537666.pdb -s /var/tmp/to_scwrl_1332537666.seq -o /var/tmp/from_scwrl_1332537666.pdb > /var/tmp/scwrl_1332537666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332537666.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1454119033.pdb -s /var/tmp/to_scwrl_1454119033.seq -o /var/tmp/from_scwrl_1454119033.pdb > /var/tmp/scwrl_1454119033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454119033.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_66531907.pdb -s /var/tmp/to_scwrl_66531907.seq -o /var/tmp/from_scwrl_66531907.pdb > /var/tmp/scwrl_66531907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66531907.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_849796522.pdb -s /var/tmp/to_scwrl_849796522.seq -o /var/tmp/from_scwrl_849796522.pdb > /var/tmp/scwrl_849796522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849796522.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_224946372.pdb -s /var/tmp/to_scwrl_224946372.seq -o /var/tmp/from_scwrl_224946372.pdb > /var/tmp/scwrl_224946372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224946372.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_53828863.pdb -s /var/tmp/to_scwrl_53828863.seq -o /var/tmp/from_scwrl_53828863.pdb > /var/tmp/scwrl_53828863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53828863.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1545052835.pdb -s /var/tmp/to_scwrl_1545052835.seq -o /var/tmp/from_scwrl_1545052835.pdb > /var/tmp/scwrl_1545052835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545052835.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1050976399.pdb -s /var/tmp/to_scwrl_1050976399.seq -o /var/tmp/from_scwrl_1050976399.pdb > /var/tmp/scwrl_1050976399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050976399.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_903685921.pdb -s /var/tmp/to_scwrl_903685921.seq -o /var/tmp/from_scwrl_903685921.pdb > /var/tmp/scwrl_903685921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903685921.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2121299768.pdb -s /var/tmp/to_scwrl_2121299768.seq -o /var/tmp/from_scwrl_2121299768.pdb > /var/tmp/scwrl_2121299768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2121299768.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_954777679.pdb -s /var/tmp/to_scwrl_954777679.seq -o /var/tmp/from_scwrl_954777679.pdb > /var/tmp/scwrl_954777679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_954777679.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1344013820.pdb -s /var/tmp/to_scwrl_1344013820.seq -o /var/tmp/from_scwrl_1344013820.pdb > /var/tmp/scwrl_1344013820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344013820.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1934651467.pdb -s /var/tmp/to_scwrl_1934651467.seq -o /var/tmp/from_scwrl_1934651467.pdb > /var/tmp/scwrl_1934651467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934651467.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2031823869.pdb -s /var/tmp/to_scwrl_2031823869.seq -o /var/tmp/from_scwrl_2031823869.pdb > /var/tmp/scwrl_2031823869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031823869.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1562161625.pdb -s /var/tmp/to_scwrl_1562161625.seq -o /var/tmp/from_scwrl_1562161625.pdb > /var/tmp/scwrl_1562161625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1562161625.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2098883068.pdb -s /var/tmp/to_scwrl_2098883068.seq -o /var/tmp/from_scwrl_2098883068.pdb > /var/tmp/scwrl_2098883068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098883068.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1747545816.pdb -s /var/tmp/to_scwrl_1747545816.seq -o /var/tmp/from_scwrl_1747545816.pdb > /var/tmp/scwrl_1747545816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1747545816.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_710455349.pdb -s /var/tmp/to_scwrl_710455349.seq -o /var/tmp/from_scwrl_710455349.pdb > /var/tmp/scwrl_710455349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710455349.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2065876896.pdb -s /var/tmp/to_scwrl_2065876896.seq -o /var/tmp/from_scwrl_2065876896.pdb > /var/tmp/scwrl_2065876896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065876896.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1992061812.pdb -s /var/tmp/to_scwrl_1992061812.seq -o /var/tmp/from_scwrl_1992061812.pdb > /var/tmp/scwrl_1992061812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992061812.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_796388000.pdb -s /var/tmp/to_scwrl_796388000.seq -o /var/tmp/from_scwrl_796388000.pdb > /var/tmp/scwrl_796388000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796388000.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1860059561.pdb -s /var/tmp/to_scwrl_1860059561.seq -o /var/tmp/from_scwrl_1860059561.pdb > /var/tmp/scwrl_1860059561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1860059561.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_860184575.pdb -s /var/tmp/to_scwrl_860184575.seq -o /var/tmp/from_scwrl_860184575.pdb > /var/tmp/scwrl_860184575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860184575.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_187237816.pdb -s /var/tmp/to_scwrl_187237816.seq -o /var/tmp/from_scwrl_187237816.pdb > /var/tmp/scwrl_187237816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187237816.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1479199546.pdb -s /var/tmp/to_scwrl_1479199546.seq -o /var/tmp/from_scwrl_1479199546.pdb > /var/tmp/scwrl_1479199546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479199546.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1056216748.pdb -s /var/tmp/to_scwrl_1056216748.seq -o /var/tmp/from_scwrl_1056216748.pdb > /var/tmp/scwrl_1056216748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1056216748.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1603011058.pdb -s /var/tmp/to_scwrl_1603011058.seq -o /var/tmp/from_scwrl_1603011058.pdb > /var/tmp/scwrl_1603011058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603011058.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1527272181.pdb -s /var/tmp/to_scwrl_1527272181.seq -o /var/tmp/from_scwrl_1527272181.pdb > /var/tmp/scwrl_1527272181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527272181.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_499877383.pdb -s /var/tmp/to_scwrl_499877383.seq -o /var/tmp/from_scwrl_499877383.pdb > /var/tmp/scwrl_499877383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499877383.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_132859385.pdb -s /var/tmp/to_scwrl_132859385.seq -o /var/tmp/from_scwrl_132859385.pdb > /var/tmp/scwrl_132859385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132859385.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1199006469.pdb -s /var/tmp/to_scwrl_1199006469.seq -o /var/tmp/from_scwrl_1199006469.pdb > /var/tmp/scwrl_1199006469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199006469.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1832415049.pdb -s /var/tmp/to_scwrl_1832415049.seq -o /var/tmp/from_scwrl_1832415049.pdb > /var/tmp/scwrl_1832415049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832415049.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1586978418.pdb -s /var/tmp/to_scwrl_1586978418.seq -o /var/tmp/from_scwrl_1586978418.pdb > /var/tmp/scwrl_1586978418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586978418.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1265538376.pdb -s /var/tmp/to_scwrl_1265538376.seq -o /var/tmp/from_scwrl_1265538376.pdb > /var/tmp/scwrl_1265538376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265538376.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_534727924.pdb -s /var/tmp/to_scwrl_534727924.seq -o /var/tmp/from_scwrl_534727924.pdb > /var/tmp/scwrl_534727924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534727924.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1811924791.pdb -s /var/tmp/to_scwrl_1811924791.seq -o /var/tmp/from_scwrl_1811924791.pdb > /var/tmp/scwrl_1811924791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811924791.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1319367239.pdb -s /var/tmp/to_scwrl_1319367239.seq -o /var/tmp/from_scwrl_1319367239.pdb > /var/tmp/scwrl_1319367239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319367239.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2079780759.pdb -s /var/tmp/to_scwrl_2079780759.seq -o /var/tmp/from_scwrl_2079780759.pdb > /var/tmp/scwrl_2079780759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079780759.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_715417543.pdb -s /var/tmp/to_scwrl_715417543.seq -o /var/tmp/from_scwrl_715417543.pdb > /var/tmp/scwrl_715417543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715417543.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_75569514.pdb -s /var/tmp/to_scwrl_75569514.seq -o /var/tmp/from_scwrl_75569514.pdb > /var/tmp/scwrl_75569514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75569514.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2053596880.pdb -s /var/tmp/to_scwrl_2053596880.seq -o /var/tmp/from_scwrl_2053596880.pdb > /var/tmp/scwrl_2053596880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053596880.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1670195222.pdb -s /var/tmp/to_scwrl_1670195222.seq -o /var/tmp/from_scwrl_1670195222.pdb > /var/tmp/scwrl_1670195222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670195222.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1419583334.pdb -s /var/tmp/to_scwrl_1419583334.seq -o /var/tmp/from_scwrl_1419583334.pdb > /var/tmp/scwrl_1419583334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419583334.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1840764700.pdb -s /var/tmp/to_scwrl_1840764700.seq -o /var/tmp/from_scwrl_1840764700.pdb > /var/tmp/scwrl_1840764700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840764700.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1554535444.pdb -s /var/tmp/to_scwrl_1554535444.seq -o /var/tmp/from_scwrl_1554535444.pdb > /var/tmp/scwrl_1554535444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1554535444.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_834261314.pdb -s /var/tmp/to_scwrl_834261314.seq -o /var/tmp/from_scwrl_834261314.pdb > /var/tmp/scwrl_834261314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834261314.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1792164122.pdb -s /var/tmp/to_scwrl_1792164122.seq -o /var/tmp/from_scwrl_1792164122.pdb > /var/tmp/scwrl_1792164122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1792164122.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1154597613.pdb -s /var/tmp/to_scwrl_1154597613.seq -o /var/tmp/from_scwrl_1154597613.pdb > /var/tmp/scwrl_1154597613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154597613.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1544716662.pdb -s /var/tmp/to_scwrl_1544716662.seq -o /var/tmp/from_scwrl_1544716662.pdb > /var/tmp/scwrl_1544716662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544716662.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1710557371.pdb -s /var/tmp/to_scwrl_1710557371.seq -o /var/tmp/from_scwrl_1710557371.pdb > /var/tmp/scwrl_1710557371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1710557371.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_999175780.pdb -s /var/tmp/to_scwrl_999175780.seq -o /var/tmp/from_scwrl_999175780.pdb > /var/tmp/scwrl_999175780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_999175780.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_193621015.pdb -s /var/tmp/to_scwrl_193621015.seq -o /var/tmp/from_scwrl_193621015.pdb > /var/tmp/scwrl_193621015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_193621015.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1423133285.pdb -s /var/tmp/to_scwrl_1423133285.seq -o /var/tmp/from_scwrl_1423133285.pdb > /var/tmp/scwrl_1423133285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423133285.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1859360354.pdb -s /var/tmp/to_scwrl_1859360354.seq -o /var/tmp/from_scwrl_1859360354.pdb > /var/tmp/scwrl_1859360354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859360354.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_380858831.pdb -s /var/tmp/to_scwrl_380858831.seq -o /var/tmp/from_scwrl_380858831.pdb > /var/tmp/scwrl_380858831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_380858831.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_754849186.pdb -s /var/tmp/to_scwrl_754849186.seq -o /var/tmp/from_scwrl_754849186.pdb > /var/tmp/scwrl_754849186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754849186.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_768093455.pdb -s /var/tmp/to_scwrl_768093455.seq -o /var/tmp/from_scwrl_768093455.pdb > /var/tmp/scwrl_768093455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768093455.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1983869890.pdb -s /var/tmp/to_scwrl_1983869890.seq -o /var/tmp/from_scwrl_1983869890.pdb > /var/tmp/scwrl_1983869890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983869890.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_134637720.pdb -s /var/tmp/to_scwrl_134637720.seq -o /var/tmp/from_scwrl_134637720.pdb > /var/tmp/scwrl_134637720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134637720.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1267970837.pdb -s /var/tmp/to_scwrl_1267970837.seq -o /var/tmp/from_scwrl_1267970837.pdb > /var/tmp/scwrl_1267970837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267970837.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2116729275.pdb -s /var/tmp/to_scwrl_2116729275.seq -o /var/tmp/from_scwrl_2116729275.pdb > /var/tmp/scwrl_2116729275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116729275.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1333644189.pdb -s /var/tmp/to_scwrl_1333644189.seq -o /var/tmp/from_scwrl_1333644189.pdb > /var/tmp/scwrl_1333644189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333644189.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_952902240.pdb -s /var/tmp/to_scwrl_952902240.seq -o /var/tmp/from_scwrl_952902240.pdb > /var/tmp/scwrl_952902240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952902240.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1556224046.pdb -s /var/tmp/to_scwrl_1556224046.seq -o /var/tmp/from_scwrl_1556224046.pdb > /var/tmp/scwrl_1556224046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556224046.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_451698919.pdb -s /var/tmp/to_scwrl_451698919.seq -o /var/tmp/from_scwrl_451698919.pdb > /var/tmp/scwrl_451698919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451698919.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1487630164.pdb -s /var/tmp/to_scwrl_1487630164.seq -o /var/tmp/from_scwrl_1487630164.pdb > /var/tmp/scwrl_1487630164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487630164.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1220665190.pdb -s /var/tmp/to_scwrl_1220665190.seq -o /var/tmp/from_scwrl_1220665190.pdb > /var/tmp/scwrl_1220665190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220665190.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1771066158.pdb -s /var/tmp/to_scwrl_1771066158.seq -o /var/tmp/from_scwrl_1771066158.pdb > /var/tmp/scwrl_1771066158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771066158.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1419927276.pdb -s /var/tmp/to_scwrl_1419927276.seq -o /var/tmp/from_scwrl_1419927276.pdb > /var/tmp/scwrl_1419927276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419927276.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1936082734.pdb -s /var/tmp/to_scwrl_1936082734.seq -o /var/tmp/from_scwrl_1936082734.pdb > /var/tmp/scwrl_1936082734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936082734.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1846635672.pdb -s /var/tmp/to_scwrl_1846635672.seq -o /var/tmp/from_scwrl_1846635672.pdb > /var/tmp/scwrl_1846635672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846635672.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1326040510.pdb -s /var/tmp/to_scwrl_1326040510.seq -o /var/tmp/from_scwrl_1326040510.pdb > /var/tmp/scwrl_1326040510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326040510.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1458794309.pdb -s /var/tmp/to_scwrl_1458794309.seq -o /var/tmp/from_scwrl_1458794309.pdb > /var/tmp/scwrl_1458794309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458794309.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1118735360.pdb -s /var/tmp/to_scwrl_1118735360.seq -o /var/tmp/from_scwrl_1118735360.pdb > /var/tmp/scwrl_1118735360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118735360.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1019321564.pdb -s /var/tmp/to_scwrl_1019321564.seq -o /var/tmp/from_scwrl_1019321564.pdb > /var/tmp/scwrl_1019321564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019321564.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_865846107.pdb -s /var/tmp/to_scwrl_865846107.seq -o /var/tmp/from_scwrl_865846107.pdb > /var/tmp/scwrl_865846107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865846107.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1952996674.pdb -s /var/tmp/to_scwrl_1952996674.seq -o /var/tmp/from_scwrl_1952996674.pdb > /var/tmp/scwrl_1952996674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952996674.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_664002039.pdb -s /var/tmp/to_scwrl_664002039.seq -o /var/tmp/from_scwrl_664002039.pdb > /var/tmp/scwrl_664002039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_664002039.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_2020443721.pdb -s /var/tmp/to_scwrl_2020443721.seq -o /var/tmp/from_scwrl_2020443721.pdb > /var/tmp/scwrl_2020443721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020443721.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1350229689.pdb -s /var/tmp/to_scwrl_1350229689.seq -o /var/tmp/from_scwrl_1350229689.pdb > /var/tmp/scwrl_1350229689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350229689.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_227075764.pdb -s /var/tmp/to_scwrl_227075764.seq -o /var/tmp/from_scwrl_227075764.pdb > /var/tmp/scwrl_227075764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227075764.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_872135854.pdb -s /var/tmp/to_scwrl_872135854.seq -o /var/tmp/from_scwrl_872135854.pdb > /var/tmp/scwrl_872135854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_872135854.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1543850704.pdb -s /var/tmp/to_scwrl_1543850704.seq -o /var/tmp/from_scwrl_1543850704.pdb > /var/tmp/scwrl_1543850704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543850704.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1650209049.pdb -s /var/tmp/to_scwrl_1650209049.seq -o /var/tmp/from_scwrl_1650209049.pdb > /var/tmp/scwrl_1650209049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650209049.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_584012561.pdb -s /var/tmp/to_scwrl_584012561.seq -o /var/tmp/from_scwrl_584012561.pdb > /var/tmp/scwrl_584012561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584012561.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1924709535.pdb -s /var/tmp/to_scwrl_1924709535.seq -o /var/tmp/from_scwrl_1924709535.pdb > /var/tmp/scwrl_1924709535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1924709535.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_257574588.pdb -s /var/tmp/to_scwrl_257574588.seq -o /var/tmp/from_scwrl_257574588.pdb > /var/tmp/scwrl_257574588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257574588.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1352106015.pdb -s /var/tmp/to_scwrl_1352106015.seq -o /var/tmp/from_scwrl_1352106015.pdb > /var/tmp/scwrl_1352106015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1352106015.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1761095778.pdb -s /var/tmp/to_scwrl_1761095778.seq -o /var/tmp/from_scwrl_1761095778.pdb > /var/tmp/scwrl_1761095778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761095778.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_392212308.pdb -s /var/tmp/to_scwrl_392212308.seq -o /var/tmp/from_scwrl_392212308.pdb > /var/tmp/scwrl_392212308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_392212308.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_472593207.pdb -s /var/tmp/to_scwrl_472593207.seq -o /var/tmp/from_scwrl_472593207.pdb > /var/tmp/scwrl_472593207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_472593207.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1730341406.pdb -s /var/tmp/to_scwrl_1730341406.seq -o /var/tmp/from_scwrl_1730341406.pdb > /var/tmp/scwrl_1730341406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1730341406.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1725856497.pdb -s /var/tmp/to_scwrl_1725856497.seq -o /var/tmp/from_scwrl_1725856497.pdb > /var/tmp/scwrl_1725856497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725856497.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1425495446.pdb -s /var/tmp/to_scwrl_1425495446.seq -o /var/tmp/from_scwrl_1425495446.pdb > /var/tmp/scwrl_1425495446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425495446.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1139081806.pdb -s /var/tmp/to_scwrl_1139081806.seq -o /var/tmp/from_scwrl_1139081806.pdb > /var/tmp/scwrl_1139081806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139081806.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 WARNING: atom 1 has residue number 9 < previous residue 188 in servers/nFOLD_TS1.pdb.gz # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_30071769.pdb -s /var/tmp/to_scwrl_30071769.seq -o /var/tmp/from_scwrl_30071769.pdb > /var/tmp/scwrl_30071769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30071769.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 14 < previous residue 188 in servers/nFOLD_TS2.pdb.gz # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_765641964.pdb -s /var/tmp/to_scwrl_765641964.seq -o /var/tmp/from_scwrl_765641964.pdb > /var/tmp/scwrl_765641964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765641964.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 151 in servers/nFOLD_TS3.pdb.gz WARNING: atom 1 has residue number 9 < previous residue 188 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_212263350.pdb -s /var/tmp/to_scwrl_212263350.seq -o /var/tmp/from_scwrl_212263350.pdb > /var/tmp/scwrl_212263350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212263350.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1801137928.pdb -s /var/tmp/to_scwrl_1801137928.seq -o /var/tmp/from_scwrl_1801137928.pdb > /var/tmp/scwrl_1801137928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801137928.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_38085594.pdb -s /var/tmp/to_scwrl_38085594.seq -o /var/tmp/from_scwrl_38085594.pdb > /var/tmp/scwrl_38085594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_38085594.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_862437.pdb -s /var/tmp/to_scwrl_862437.seq -o /var/tmp/from_scwrl_862437.pdb > /var/tmp/scwrl_862437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862437.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0342 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 170 ; scwrl3 -i /var/tmp/to_scwrl_1500289953.pdb -s /var/tmp/to_scwrl_1500289953.seq -o /var/tmp/from_scwrl_1500289953.pdb > /var/tmp/scwrl_1500289953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500289953.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 56.480 sec, elapsed time= 423.473 sec. # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.anglevector.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 84.023 real_cost = 148.352 shub_TS1 costs 83.968 real_cost = 154.498 panther2_TS1-scwrl costs 87.160 real_cost = 337.190 panther2_TS1 costs 87.193 real_cost = 330.701 nFOLD_TS5-scwrl costs 119.041 real_cost = 452.981 nFOLD_TS5 costs 119.041 real_cost = 451.347 nFOLD_TS4-scwrl costs 126.929 real_cost = 323.750 nFOLD_TS4 costs 126.929 real_cost = 427.764 nFOLD_TS3-scwrl costs 97.681 real_cost = 286.910 nFOLD_TS3 costs 97.698 real_cost = 336.021 nFOLD_TS2-scwrl costs 102.793 real_cost = 232.761 nFOLD_TS2 costs 102.872 real_cost = 294.472 nFOLD_TS1-scwrl costs 81.695 real_cost = 160.357 nFOLD_TS1 costs 81.687 real_cost = 228.589 mGen-3D_TS1-scwrl costs 78.286 real_cost = 164.031 mGen-3D_TS1 costs 78.272 real_cost = 226.523 keasar-server_TS5-scwrl costs 118.529 real_cost = 230.626 keasar-server_TS5 costs 118.555 real_cost = 239.517 keasar-server_TS4-scwrl costs 84.088 real_cost = 132.206 keasar-server_TS4 costs 84.088 real_cost = 140.869 keasar-server_TS3-scwrl costs 108.143 real_cost = 206.828 keasar-server_TS3 costs 108.146 real_cost = 205.744 keasar-server_TS2-scwrl costs 88.074 real_cost = 132.352 keasar-server_TS2 costs 88.074 real_cost = 144.223 keasar-server_TS1-scwrl costs 77.179 real_cost = 118.012 keasar-server_TS1 costs 77.135 real_cost = 119.824 karypis.srv_TS5-scwrl costs 83.222 real_cost = 277.090 karypis.srv_TS5 costs 83.237 real_cost = 274.090 karypis.srv_TS4-scwrl costs 108.532 real_cost = 336.234 karypis.srv_TS4 costs 108.566 real_cost = 331.982 karypis.srv_TS3-scwrl costs 93.201 real_cost = 329.988 karypis.srv_TS3 costs 93.191 real_cost = 328.146 karypis.srv_TS2-scwrl costs 93.679 real_cost = 345.718 karypis.srv_TS2 costs 93.676 real_cost = 340.869 karypis.srv_TS1-scwrl costs 92.116 real_cost = 329.239 karypis.srv_TS1 costs 92.106 real_cost = 328.333 karypis.srv.2_TS5-scwrl costs 92.793 real_cost = 293.121 karypis.srv.2_TS5 costs 92.793 real_cost = 293.121 karypis.srv.2_TS4-scwrl costs 99.390 real_cost = 311.577 karypis.srv.2_TS4 costs 99.390 real_cost = 311.577 karypis.srv.2_TS3-scwrl costs 103.599 real_cost = 324.028 karypis.srv.2_TS3 costs 103.599 real_cost = 324.073 karypis.srv.2_TS2-scwrl costs 117.101 real_cost = 364.983 karypis.srv.2_TS2 costs 117.101 real_cost = 365.041 karypis.srv.2_TS1-scwrl costs 85.995 real_cost = 313.720 karypis.srv.2_TS1 costs 85.995 real_cost = 313.548 gtg_AL3-scwrl costs 111.824 real_cost = 337.865 gtg_AL3 costs 111.749 real_cost = 356.416 gtg_AL2-scwrl costs 115.957 real_cost = 346.514 gtg_AL2 costs 116.171 real_cost = 386.352 gtg_AL1-scwrl costs 105.099 real_cost = 195.817 gtg_AL1 costs 105.246 real_cost = 246.131 forecast-s_AL5-scwrl costs 112.165 real_cost = 558.037 forecast-s_AL5 costs 112.462 real_cost = 590.495 forecast-s_AL4-scwrl costs 96.429 real_cost = 514.849 forecast-s_AL4 costs 96.391 real_cost = 543.608 forecast-s_AL3-scwrl costs 125.647 real_cost = 460.352 forecast-s_AL3 costs 125.618 real_cost = 548.604 forecast-s_AL2-scwrl costs 120.729 real_cost = 519.475 forecast-s_AL2 costs 120.881 real_cost = 580.059 forecast-s_AL1-scwrl costs 102.168 real_cost = 543.896 forecast-s_AL1 costs 102.166 real_cost = 583.801 beautshotbase_TS1-scwrl costs 75.322 real_cost = 123.492 beautshotbase_TS1 costs 75.296 real_cost = 135.225 beautshot_TS1-scwrl costs 101.603 real_cost = 135.465 beautshot_TS1 costs 101.539 real_cost = 140.620 Zhang-Server_TS5-scwrl costs 67.824 real_cost = 115.535 Zhang-Server_TS5 costs 67.824 real_cost = 114.823 Zhang-Server_TS4-scwrl costs 83.088 real_cost = 65.776 Zhang-Server_TS4 costs 83.088 real_cost = 65.817 Zhang-Server_TS3-scwrl costs 71.607 real_cost = 73.248 Zhang-Server_TS3 costs 71.607 real_cost = 73.498 Zhang-Server_TS2-scwrl costs 77.583 real_cost = 92.019 Zhang-Server_TS2 costs 77.583 real_cost = 92.019 Zhang-Server_TS1-scwrl costs 72.112 real_cost = 88.819 Zhang-Server_TS1 costs 72.112 real_cost = 88.476 UNI-EID_sfst_AL4-scwrl costs 97.203 real_cost = 281.960 UNI-EID_sfst_AL4 costs 97.163 real_cost = 304.977 UNI-EID_sfst_AL3-scwrl costs 100.371 real_cost = 258.555 UNI-EID_sfst_AL3 costs 100.641 real_cost = 285.464 UNI-EID_sfst_AL2-scwrl costs 95.220 real_cost = 205.101 UNI-EID_sfst_AL2 costs 95.273 real_cost = 251.701 UNI-EID_sfst_AL1-scwrl costs 84.869 real_cost = 173.704 UNI-EID_sfst_AL1 costs 84.835 real_cost = 213.800 UNI-EID_expm_TS1-scwrl costs 83.156 real_cost = 164.554 UNI-EID_expm_TS1 costs 83.151 real_cost = 237.809 UNI-EID_bnmx_TS4-scwrl costs 86.473 real_cost = 196.851 UNI-EID_bnmx_TS4 costs 86.446 real_cost = 252.856 UNI-EID_bnmx_TS3-scwrl costs 98.623 real_cost = 218.607 UNI-EID_bnmx_TS3 costs 98.773 real_cost = 250.656 UNI-EID_bnmx_TS2-scwrl costs 101.068 real_cost = 194.338 UNI-EID_bnmx_TS2 costs 101.272 real_cost = 269.783 UNI-EID_bnmx_TS1-scwrl costs 76.223 real_cost = 148.915 UNI-EID_bnmx_TS1 costs 76.215 real_cost = 244.192 SPARKS2_TS5-scwrl costs 80.367 real_cost = 298.587 SPARKS2_TS5 costs 80.367 real_cost = 299.883 SPARKS2_TS4-scwrl costs 95.820 real_cost = 112.499 SPARKS2_TS4 costs 95.820 real_cost = 118.195 SPARKS2_TS3-scwrl costs 89.913 real_cost = 113.530 SPARKS2_TS3 costs 89.913 real_cost = 115.381 SPARKS2_TS2-scwrl costs 97.530 real_cost = 138.337 SPARKS2_TS2 costs 97.530 real_cost = 149.046 SPARKS2_TS1-scwrl costs 75.308 real_cost = 108.519 SPARKS2_TS1 costs 75.308 real_cost = 108.777 SP4_TS5-scwrl costs 87.297 real_cost = 242.890 SP4_TS5 costs 87.297 real_cost = 249.667 SP4_TS4-scwrl costs 105.167 real_cost = 191.924 SP4_TS4 costs 105.167 real_cost = 193.655 SP4_TS3-scwrl costs 87.128 real_cost = 115.187 SP4_TS3 costs 87.128 real_cost = 113.548 SP4_TS2-scwrl costs 87.937 real_cost = 120.194 SP4_TS2 costs 87.937 real_cost = 121.944 SP4_TS1-scwrl costs 79.453 real_cost = 113.495 SP4_TS1 costs 79.453 real_cost = 107.738 SP3_TS5-scwrl costs 85.679 real_cost = 270.298 SP3_TS5 costs 85.679 real_cost = 273.092 SP3_TS4-scwrl costs 97.176 real_cost = 150.867 SP3_TS4 costs 97.176 real_cost = 150.169 SP3_TS3-scwrl costs 91.944 real_cost = 160.364 SP3_TS3 costs 91.944 real_cost = 166.165 SP3_TS2-scwrl costs 92.010 real_cost = 172.993 SP3_TS2 costs 92.010 real_cost = 173.104 SP3_TS1-scwrl costs 76.653 real_cost = 105.570 SP3_TS1 costs 76.653 real_cost = 107.303 SAM_T06_server_TS5-scwrl costs 108.178 real_cost = 288.849 SAM_T06_server_TS5 costs 108.459 real_cost = 255.423 SAM_T06_server_TS4-scwrl costs 96.806 real_cost = 233.134 SAM_T06_server_TS4 costs 96.608 real_cost = 202.215 SAM_T06_server_TS3-scwrl costs 98.676 real_cost = 200.226 SAM_T06_server_TS3 costs 99.318 real_cost = 167.248 SAM_T06_server_TS2-scwrl costs 84.481 real_cost = 187.643 SAM_T06_server_TS2 costs 84.742 real_cost = 166.252 SAM_T06_server_TS1-scwrl costs 89.573 real_cost = 76.854 SAM_T06_server_TS1 costs 89.573 real_cost = 79.738 SAM-T99_AL4-scwrl costs 97.771 real_cost = 246.496 SAM-T99_AL4 costs 97.581 real_cost = 268.021 SAM-T99_AL3-scwrl costs 103.060 real_cost = 265.174 SAM-T99_AL3 costs 103.482 real_cost = 301.514 SAM-T99_AL2-scwrl costs 95.188 real_cost = 242.260 SAM-T99_AL2 costs 95.192 real_cost = 289.103 SAM-T99_AL1-scwrl costs 80.342 real_cost = 124.963 SAM-T99_AL1 costs 80.316 real_cost = 183.380 SAM-T02_AL4-scwrl costs 104.442 real_cost = 310.998 SAM-T02_AL4 costs 104.418 real_cost = 371.583 SAM-T02_AL3-scwrl costs 97.440 real_cost = 302.078 SAM-T02_AL3 costs 97.488 real_cost = 357.660 SAM-T02_AL2-scwrl costs 88.827 real_cost = 407.174 SAM-T02_AL2 costs 88.814 real_cost = 465.759 SAM-T02_AL1-scwrl costs 89.351 real_cost = 193.776 SAM-T02_AL1 costs 89.389 real_cost = 261.019 ROKKY_TS5-scwrl costs 48.112 real_cost = 129.549 ROKKY_TS5 costs 48.112 real_cost = 225.377 ROKKY_TS4-scwrl costs 47.168 real_cost = 137.823 ROKKY_TS4 costs 47.168 real_cost = 231.577 ROKKY_TS3-scwrl costs 46.944 real_cost = 119.974 ROKKY_TS3 costs 46.944 real_cost = 214.770 ROKKY_TS2-scwrl costs 51.484 real_cost = 130.868 ROKKY_TS2 costs 51.484 real_cost = 224.301 ROKKY_TS1-scwrl costs 48.560 real_cost = 138.353 ROKKY_TS1 costs 48.560 real_cost = 235.336 ROBETTA_TS5-scwrl costs 53.152 real_cost = 102.223 ROBETTA_TS5 costs 53.152 real_cost = 105.647 ROBETTA_TS4-scwrl costs 70.660 real_cost = 97.046 ROBETTA_TS4 costs 70.660 real_cost = 98.695 ROBETTA_TS3-scwrl costs 76.073 real_cost = 89.133 ROBETTA_TS3 costs 76.073 real_cost = 96.285 ROBETTA_TS2-scwrl costs 76.141 real_cost = 119.545 ROBETTA_TS2 costs 76.141 real_cost = 124.147 ROBETTA_TS1-scwrl costs 82.784 real_cost = 89.802 ROBETTA_TS1 costs 82.784 real_cost = 91.328 RAPTOR_TS5-scwrl costs 100.399 real_cost = 189.685 RAPTOR_TS5 costs 100.399 real_cost = 188.878 RAPTOR_TS4-scwrl costs 99.757 real_cost = 179.706 RAPTOR_TS4 costs 99.757 real_cost = 177.757 RAPTOR_TS3-scwrl costs 103.111 real_cost = 207.527 RAPTOR_TS3 costs 103.111 real_cost = 211.707 RAPTOR_TS2-scwrl costs 69.637 real_cost = 84.606 RAPTOR_TS2 costs 69.637 real_cost = 92.124 RAPTOR_TS1-scwrl costs 77.762 real_cost = 152.184 RAPTOR_TS1 costs 77.762 real_cost = 155.574 RAPTORESS_TS5-scwrl costs 110.320 real_cost = 170.713 RAPTORESS_TS5 costs 110.320 real_cost = 176.865 RAPTORESS_TS4-scwrl costs 109.924 real_cost = 160.348 RAPTORESS_TS4 costs 109.924 real_cost = 170.105 RAPTORESS_TS3-scwrl costs 122.844 real_cost = 207.384 RAPTORESS_TS3 costs 122.844 real_cost = 207.618 RAPTORESS_TS2-scwrl costs 75.268 real_cost = 96.238 RAPTORESS_TS2 costs 75.268 real_cost = 99.152 RAPTORESS_TS1-scwrl costs 90.459 real_cost = 135.014 RAPTORESS_TS1 costs 90.459 real_cost = 151.319 RAPTOR-ACE_TS5-scwrl costs 93.620 real_cost = 183.355 RAPTOR-ACE_TS5 costs 93.620 real_cost = 192.466 RAPTOR-ACE_TS4-scwrl costs 76.653 real_cost = 105.570 RAPTOR-ACE_TS4 costs 76.653 real_cost = 107.303 RAPTOR-ACE_TS3-scwrl costs 75.776 real_cost = 150.138 RAPTOR-ACE_TS3 costs 75.776 real_cost = 157.560 RAPTOR-ACE_TS2-scwrl costs 75.452 real_cost = 97.598 RAPTOR-ACE_TS2 costs 75.452 real_cost = 103.030 RAPTOR-ACE_TS1-scwrl costs 73.472 real_cost = 85.652 RAPTOR-ACE_TS1 costs 73.472 real_cost = 88.493 Pmodeller6_TS5-scwrl costs 62.939 real_cost = 165.434 Pmodeller6_TS5 costs 62.939 real_cost = 167.009 Pmodeller6_TS4-scwrl costs 58.717 real_cost = 118.378 Pmodeller6_TS4 costs 58.717 real_cost = 118.811 Pmodeller6_TS3-scwrl costs 60.844 real_cost = 91.812 Pmodeller6_TS3 costs 60.844 real_cost = 92.180 Pmodeller6_TS2-scwrl costs 71.616 real_cost = 139.950 Pmodeller6_TS2 costs 71.616 real_cost = 141.932 Pmodeller6_TS1-scwrl costs 53.152 real_cost = 102.221 Pmodeller6_TS1 costs 53.152 real_cost = 105.645 Phyre-2_TS5-scwrl costs 76.377 real_cost = 108.744 Phyre-2_TS5 costs 76.377 real_cost = 111.838 Phyre-2_TS4-scwrl costs 78.958 real_cost = 104.242 Phyre-2_TS4 costs 78.958 real_cost = 100.270 Phyre-2_TS3-scwrl costs 73.295 real_cost = 105.416 Phyre-2_TS3 costs 73.295 real_cost = 105.171 Phyre-2_TS2-scwrl costs 77.316 real_cost = 88.505 Phyre-2_TS2 costs 77.316 real_cost = 87.912 Phyre-2_TS1-scwrl costs 78.779 real_cost = 111.891 Phyre-2_TS1 costs 78.779 real_cost = 112.026 Phyre-1_TS1-scwrl costs 93.796 real_cost = 195.439 Phyre-1_TS1 costs 93.778 real_cost = 185.248 Pcons6_TS5-scwrl costs 91.861 real_cost = 205.703 Pcons6_TS5 costs 91.861 real_cost = 206.040 Pcons6_TS4-scwrl costs 66.480 real_cost = 162.426 Pcons6_TS4 costs 66.480 real_cost = 164.247 Pcons6_TS3-scwrl costs 65.429 real_cost = 110.853 Pcons6_TS3 costs 65.429 real_cost = 110.326 Pcons6_TS2-scwrl costs 61.167 real_cost = 127.285 Pcons6_TS2 costs 61.167 real_cost = 128.658 Pcons6_TS1-scwrl costs 60.844 real_cost = 91.812 Pcons6_TS1 costs 60.844 real_cost = 92.180 PROTINFO_TS5-scwrl costs 58.989 real_cost = 75.350 PROTINFO_TS5 costs 58.989 real_cost = 79.633 PROTINFO_TS4-scwrl costs 90.838 real_cost = 230.000 PROTINFO_TS4 costs 90.845 real_cost = 224.635 PROTINFO_TS3-scwrl costs 83.173 real_cost = 194.757 PROTINFO_TS3 costs 83.180 real_cost = 189.157 PROTINFO_TS2-scwrl costs 60.621 real_cost = 74.769 PROTINFO_TS2 costs 60.621 real_cost = 79.238 PROTINFO_TS1-scwrl costs 57.963 real_cost = 68.169 PROTINFO_TS1 costs 57.963 real_cost = 77.583 PROTINFO-AB_TS5-scwrl costs 60.564 real_cost = 76.361 PROTINFO-AB_TS5 costs 60.564 real_cost = 80.538 PROTINFO-AB_TS4-scwrl costs 63.087 real_cost = 70.914 PROTINFO-AB_TS4 costs 63.087 real_cost = 80.675 PROTINFO-AB_TS3-scwrl costs 61.251 real_cost = 72.616 PROTINFO-AB_TS3 costs 61.251 real_cost = 76.614 PROTINFO-AB_TS2-scwrl costs 61.369 real_cost = 80.165 PROTINFO-AB_TS2 costs 61.369 real_cost = 80.723 PROTINFO-AB_TS1-scwrl costs 65.675 real_cost = 86.770 PROTINFO-AB_TS1 costs 65.675 real_cost = 92.770 POMYSL_TS5-scwrl costs 116.826 real_cost = 346.400 POMYSL_TS5 costs 116.826 real_cost = 353.821 POMYSL_TS4-scwrl costs 135.772 real_cost = 478.525 POMYSL_TS3-scwrl costs 128.175 real_cost = 341.368 POMYSL_TS3 costs 128.175 real_cost = 343.471 POMYSL_TS2-scwrl costs 123.818 real_cost = 334.687 POMYSL_TS2 costs 123.818 real_cost = 336.806 POMYSL_TS1-scwrl costs 124.428 real_cost = 354.282 POMYSL_TS1 costs 124.428 real_cost = 354.441 NN_PUT_lab_TS1-scwrl costs 81.695 real_cost = 160.357 NN_PUT_lab_TS1 costs 81.687 real_cost = 228.589 MetaTasser_TS5-scwrl costs 105.436 real_cost = 131.076 MetaTasser_TS5 costs 105.436 real_cost = 138.912 MetaTasser_TS4-scwrl costs 104.404 real_cost = 106.105 MetaTasser_TS4 costs 104.404 real_cost = 108.879 MetaTasser_TS3-scwrl costs 109.765 real_cost = 87.910 MetaTasser_TS3 costs 109.765 real_cost = 86.020 MetaTasser_TS2-scwrl costs 107.578 real_cost = 138.658 MetaTasser_TS2 costs 107.578 real_cost = 138.496 MetaTasser_TS1-scwrl costs 98.228 real_cost = 112.319 MetaTasser_TS1 costs 98.228 real_cost = 109.740 Ma-OPUS-server_TS5-scwrl costs 108.025 real_cost = 192.209 Ma-OPUS-server_TS5 costs 108.025 real_cost = 193.370 Ma-OPUS-server_TS4-scwrl costs 96.175 real_cost = 271.332 Ma-OPUS-server_TS4 costs 96.175 real_cost = 269.107 Ma-OPUS-server_TS3-scwrl costs 89.603 real_cost = 306.817 Ma-OPUS-server_TS3 costs 89.603 real_cost = 307.987 Ma-OPUS-server_TS2-scwrl costs 96.947 real_cost = 293.610 Ma-OPUS-server_TS2 costs 96.947 real_cost = 293.230 Ma-OPUS-server_TS1-scwrl costs 97.435 real_cost = 268.611 Ma-OPUS-server_TS1 costs 97.435 real_cost = 272.136 Ma-OPUS-server2_TS5-scwrl costs 90.286 real_cost = 287.502 Ma-OPUS-server2_TS5 costs 90.286 real_cost = 288.819 Ma-OPUS-server2_TS4-scwrl costs 93.420 real_cost = 295.399 Ma-OPUS-server2_TS4 costs 93.420 real_cost = 301.075 Ma-OPUS-server2_TS3-scwrl costs 108.025 real_cost = 192.209 Ma-OPUS-server2_TS3 costs 108.025 real_cost = 193.370 Ma-OPUS-server2_TS2-scwrl costs 92.878 real_cost = 281.877 Ma-OPUS-server2_TS2 costs 92.878 real_cost = 285.300 Ma-OPUS-server2_TS1-scwrl costs 101.219 real_cost = 295.705 Ma-OPUS-server2_TS1 costs 101.219 real_cost = 298.090 MIG_FROST_AL1-scwrl costs 92.851 real_cost = 390.111 MIG_FROST_AL1 costs 92.887 real_cost = 457.969 LOOPP_TS5-scwrl costs 83.621 real_cost = 359.018 LOOPP_TS5 costs 83.620 real_cost = 364.907 LOOPP_TS4-scwrl costs 86.463 real_cost = 397.345 LOOPP_TS4 costs 86.461 real_cost = 398.454 LOOPP_TS3-scwrl costs 86.863 real_cost = 348.306 LOOPP_TS3 costs 86.882 real_cost = 351.831 LOOPP_TS2-scwrl costs 83.239 real_cost = 202.838 LOOPP_TS2 costs 83.266 real_cost = 205.064 LOOPP_TS1-scwrl costs 72.951 real_cost = 155.309 LOOPP_TS1 costs 72.948 real_cost = 160.010 Huber-Torda-Server_TS5-scwrl costs 121.300 real_cost = 486.634 Huber-Torda-Server_TS5 costs 121.485 real_cost = 501.036 Huber-Torda-Server_TS4-scwrl costs 101.263 real_cost = 442.015 Huber-Torda-Server_TS4 costs 101.483 real_cost = 479.128 Huber-Torda-Server_TS3-scwrl costs 101.000 real_cost = 390.219 Huber-Torda-Server_TS3 costs 100.940 real_cost = 444.558 Huber-Torda-Server_TS2-scwrl costs 117.908 real_cost = 415.167 Huber-Torda-Server_TS2 costs 117.854 real_cost = 458.857 Huber-Torda-Server_TS1-scwrl costs 96.597 real_cost = 432.864 Huber-Torda-Server_TS1 costs 96.475 real_cost = 472.858 HHpred3_TS1-scwrl costs 66.364 real_cost = 58.579 HHpred3_TS1 costs 66.364 real_cost = 71.419 HHpred2_TS1-scwrl costs 67.432 real_cost = 60.729 HHpred2_TS1 costs 67.432 real_cost = 77.074 HHpred1_TS1-scwrl costs 67.432 real_cost = 60.729 HHpred1_TS1 costs 67.432 real_cost = 77.074 GeneSilicoMetaServer_TS5-scwrl costs 82.833 real_cost = 203.223 GeneSilicoMetaServer_TS5 costs 82.804 real_cost = 198.028 GeneSilicoMetaServer_TS4-scwrl costs 83.205 real_cost = 123.365 GeneSilicoMetaServer_TS4 costs 83.191 real_cost = 131.467 GeneSilicoMetaServer_TS3-scwrl costs 76.209 real_cost = 107.311 GeneSilicoMetaServer_TS3 costs 76.183 real_cost = 110.110 GeneSilicoMetaServer_TS2-scwrl costs 66.619 real_cost = 103.207 GeneSilicoMetaServer_TS2 costs 66.604 real_cost = 112.856 GeneSilicoMetaServer_TS1-scwrl costs 73.330 real_cost = 127.143 GeneSilicoMetaServer_TS1 costs 73.304 real_cost = 124.798 Frankenstein_TS2-scwrl costs 114.912 real_cost = 319.057 Frankenstein_TS2 costs 114.912 real_cost = 320.070 Frankenstein_TS1-scwrl costs 116.452 real_cost = 306.260 Frankenstein_TS1 costs 116.452 real_cost = 304.333 FUNCTION_TS5-scwrl costs 114.361 real_cost = 278.969 FUNCTION_TS5 costs 114.361 real_cost = 278.203 FUNCTION_TS4-scwrl costs 100.643 real_cost = 136.924 FUNCTION_TS4 costs 100.643 real_cost = 146.004 FUNCTION_TS3-scwrl costs 104.656 real_cost = 191.302 FUNCTION_TS3 costs 104.656 real_cost = 195.629 FUNCTION_TS2-scwrl costs 111.118 real_cost = 129.007 FUNCTION_TS2 costs 111.118 real_cost = 134.863 FUNCTION_TS1-scwrl costs 77.787 real_cost = 106.214 FUNCTION_TS1 costs 77.787 real_cost = 107.408 FUGUE_AL5-scwrl costs 129.039 real_cost = 354.136 FUGUE_AL5 costs 129.023 real_cost = 460.273 FUGUE_AL4-scwrl costs 103.795 real_cost = 341.038 FUGUE_AL4 costs 103.860 real_cost = 477.163 FUGUE_AL3-scwrl costs 101.789 real_cost = 229.164 FUGUE_AL3 costs 101.746 real_cost = 324.065 FUGUE_AL2-scwrl costs 90.454 real_cost = 265.259 FUGUE_AL2 costs 90.349 real_cost = 327.838 FUGUE_AL1-scwrl costs 80.730 real_cost = 157.117 FUGUE_AL1 costs 80.680 real_cost = 244.844 FUGMOD_TS5-scwrl costs 121.129 real_cost = 290.972 FUGMOD_TS5 costs 121.129 real_cost = 292.830 FUGMOD_TS4-scwrl costs 101.705 real_cost = 328.881 FUGMOD_TS4 costs 101.705 real_cost = 329.365 FUGMOD_TS3-scwrl costs 97.345 real_cost = 231.012 FUGMOD_TS3 costs 97.360 real_cost = 228.607 FUGMOD_TS2-scwrl costs 82.617 real_cost = 234.410 FUGMOD_TS2 costs 82.618 real_cost = 235.097 FUGMOD_TS1-scwrl costs 73.275 real_cost = 114.535 FUGMOD_TS1 costs 73.306 real_cost = 117.456 FPSOLVER-SERVER_TS5-scwrl costs 149.610 real_cost = 331.880 FPSOLVER-SERVER_TS5 costs 149.610 real_cost = 333.236 FPSOLVER-SERVER_TS4-scwrl costs 136.325 real_cost = 344.445 FPSOLVER-SERVER_TS4 costs 136.325 real_cost = 344.272 FPSOLVER-SERVER_TS3-scwrl costs 143.348 real_cost = 346.894 FPSOLVER-SERVER_TS3 costs 143.348 real_cost = 347.124 FPSOLVER-SERVER_TS2-scwrl costs 152.499 real_cost = 368.987 FPSOLVER-SERVER_TS2 costs 152.499 real_cost = 368.959 FPSOLVER-SERVER_TS1-scwrl costs 153.026 real_cost = 346.261 FPSOLVER-SERVER_TS1 costs 153.026 real_cost = 348.915 FORTE2_AL5-scwrl costs 127.857 real_cost = 384.511 FORTE2_AL5 costs 127.876 real_cost = 484.143 FORTE2_AL4-scwrl costs 98.447 real_cost = 229.487 FORTE2_AL4 costs 98.665 real_cost = 268.674 FORTE2_AL3-scwrl costs 92.088 real_cost = 207.912 FORTE2_AL3 costs 92.107 real_cost = 267.742 FORTE2_AL2-scwrl costs 102.129 real_cost = 238.455 FORTE2_AL2 costs 102.071 real_cost = 329.428 FORTE2_AL1-scwrl costs 85.416 real_cost = 161.134 FORTE2_AL1 costs 85.423 real_cost = 253.066 FORTE1_AL5-scwrl costs 127.857 real_cost = 384.511 FORTE1_AL5 costs 127.876 real_cost = 484.143 FORTE1_AL4-scwrl costs 98.447 real_cost = 229.487 FORTE1_AL4 costs 98.665 real_cost = 268.674 FORTE1_AL3-scwrl costs 92.088 real_cost = 207.912 FORTE1_AL3 costs 92.107 real_cost = 267.742 FORTE1_AL2-scwrl costs 102.129 real_cost = 238.455 FORTE1_AL2 costs 102.071 real_cost = 329.428 FORTE1_AL1-scwrl costs 85.416 real_cost = 161.134 FORTE1_AL1 costs 85.423 real_cost = 253.066 FOLDpro_TS5-scwrl costs 83.755 real_cost = 165.217 FOLDpro_TS5 costs 83.755 real_cost = 168.678 FOLDpro_TS4-scwrl costs 85.159 real_cost = 149.139 FOLDpro_TS4 costs 85.159 real_cost = 153.578 FOLDpro_TS3-scwrl costs 89.919 real_cost = 130.051 FOLDpro_TS3 costs 89.919 real_cost = 135.638 FOLDpro_TS2-scwrl costs 74.516 real_cost = 178.323 FOLDpro_TS2 costs 74.516 real_cost = 185.442 FOLDpro_TS1-scwrl costs 60.700 real_cost = 94.325 FOLDpro_TS1 costs 60.700 real_cost = 97.450 FAMS_TS5-scwrl costs 76.486 real_cost = 116.627 FAMS_TS5 costs 76.521 real_cost = 113.815 FAMS_TS4-scwrl costs 81.666 real_cost = 146.038 FAMS_TS4 costs 81.666 real_cost = 136.175 FAMS_TS3-scwrl costs 77.733 real_cost = 116.959 FAMS_TS3 costs 77.733 real_cost = 122.061 FAMS_TS2-scwrl costs 100.643 real_cost = 136.924 FAMS_TS2 costs 100.643 real_cost = 146.004 FAMS_TS1-scwrl costs 76.340 real_cost = 95.582 FAMS_TS1 costs 76.340 real_cost = 94.380 FAMSD_TS5-scwrl costs 96.299 real_cost = 169.787 FAMSD_TS5 costs 96.293 real_cost = 173.424 FAMSD_TS4-scwrl costs 79.074 real_cost = 115.438 FAMSD_TS4 costs 79.172 real_cost = 126.034 FAMSD_TS3-scwrl costs 79.359 real_cost = 187.234 FAMSD_TS3 costs 79.356 real_cost = 192.310 FAMSD_TS2-scwrl costs 76.486 real_cost = 116.627 FAMSD_TS2 costs 76.521 real_cost = 113.815 FAMSD_TS1-scwrl costs 76.659 real_cost = 95.465 FAMSD_TS1 costs 76.659 real_cost = 103.281 Distill_TS5-scwrl costs 227.292 real_cost = 486.259 Distill_TS4-scwrl costs 225.971 real_cost = 487.550 Distill_TS3-scwrl costs 227.958 real_cost = 486.529 Distill_TS2-scwrl costs 227.797 real_cost = 471.283 Distill_TS1-scwrl costs 226.478 real_cost = 473.794 CaspIta-FOX_TS4-scwrl costs 87.956 real_cost = 416.200 CaspIta-FOX_TS4 costs 87.937 real_cost = 409.900 CaspIta-FOX_TS3-scwrl costs 99.153 real_cost = 332.428 CaspIta-FOX_TS3 costs 99.186 real_cost = 329.286 CaspIta-FOX_TS2-scwrl costs 108.855 real_cost = 364.128 CaspIta-FOX_TS2 costs 108.808 real_cost = 361.414 CaspIta-FOX_TS1-scwrl costs 80.177 real_cost = 163.596 CaspIta-FOX_TS1 costs 80.151 real_cost = 156.215 CIRCLE_TS5-scwrl costs 88.795 real_cost = 150.959 CIRCLE_TS5 costs 88.893 real_cost = 146.774 CIRCLE_TS4-scwrl costs 77.799 real_cost = 147.859 CIRCLE_TS4 costs 77.897 real_cost = 147.261 CIRCLE_TS3-scwrl costs 77.733 real_cost = 116.959 CIRCLE_TS3 costs 77.733 real_cost = 122.061 CIRCLE_TS2-scwrl costs 81.666 real_cost = 146.038 CIRCLE_TS2 costs 81.666 real_cost = 136.175 CIRCLE_TS1-scwrl costs 65.955 real_cost = 163.939 CIRCLE_TS1 costs 65.935 real_cost = 156.305 Bilab-ENABLE_TS4-scwrl costs 69.792 real_cost = 86.446 Bilab-ENABLE_TS4 costs 69.792 real_cost = 86.426 Bilab-ENABLE_TS3-scwrl costs 97.597 real_cost = 245.436 Bilab-ENABLE_TS3 costs 97.597 real_cost = 244.425 Bilab-ENABLE_TS2-scwrl costs 104.208 real_cost = 330.412 Bilab-ENABLE_TS2 costs 104.208 real_cost = 330.415 Bilab-ENABLE_TS1-scwrl costs 100.540 real_cost = 215.532 Bilab-ENABLE_TS1 costs 100.540 real_cost = 215.532 BayesHH_TS1-scwrl costs 72.596 real_cost = 95.916 BayesHH_TS1 costs 72.596 real_cost = 98.737 ABIpro_TS5-scwrl costs 63.300 real_cost = 264.914 ABIpro_TS5 costs 63.300 real_cost = 264.914 ABIpro_TS4-scwrl costs 61.606 real_cost = 279.624 ABIpro_TS4 costs 61.606 real_cost = 279.624 ABIpro_TS3-scwrl costs 75.692 real_cost = 238.416 ABIpro_TS3 costs 75.692 real_cost = 239.091 ABIpro_TS2-scwrl costs 79.182 real_cost = 240.447 ABIpro_TS2 costs 79.182 real_cost = 240.447 ABIpro_TS1-scwrl costs 74.468 real_cost = 255.061 ABIpro_TS1 costs 74.468 real_cost = 255.061 3Dpro_TS5-scwrl costs 90.831 real_cost = 172.936 3Dpro_TS5 costs 90.831 real_cost = 174.974 3Dpro_TS4-scwrl costs 97.984 real_cost = 178.428 3Dpro_TS4 costs 97.984 real_cost = 172.756 3Dpro_TS3-scwrl costs 73.102 real_cost = 81.910 3Dpro_TS3 costs 73.102 real_cost = 84.208 3Dpro_TS2-scwrl costs 102.715 real_cost = 169.268 3Dpro_TS2 costs 102.715 real_cost = 164.114 3Dpro_TS1-scwrl costs 86.170 real_cost = 91.079 3Dpro_TS1 costs 86.170 real_cost = 95.028 3D-JIGSAW_TS5-scwrl costs 117.199 real_cost = 334.330 3D-JIGSAW_TS5 costs 117.245 real_cost = 334.633 3D-JIGSAW_TS4-scwrl costs 107.289 real_cost = 305.140 3D-JIGSAW_TS4 costs 107.289 real_cost = 308.839 3D-JIGSAW_TS3-scwrl costs 118.862 real_cost = 339.430 3D-JIGSAW_TS3 costs 118.861 real_cost = 337.499 3D-JIGSAW_TS2-scwrl costs 106.374 real_cost = 368.245 3D-JIGSAW_TS2 costs 106.372 real_cost = 349.579 3D-JIGSAW_TS1-scwrl costs 104.530 real_cost = 158.697 3D-JIGSAW_TS1 costs 104.544 real_cost = 174.071 3D-JIGSAW_RECOM_TS2-scwrl costs 104.574 real_cost = 159.738 3D-JIGSAW_RECOM_TS2 costs 104.589 real_cost = 169.276 3D-JIGSAW_RECOM_TS1-scwrl costs 103.842 real_cost = 158.421 3D-JIGSAW_RECOM_TS1 costs 103.857 real_cost = 160.592 3D-JIGSAW_POPULUS_TS5-scwrl costs 88.557 real_cost = 274.271 3D-JIGSAW_POPULUS_TS5 costs 88.557 real_cost = 274.271 3D-JIGSAW_POPULUS_TS4-scwrl costs 89.814 real_cost = 321.290 3D-JIGSAW_POPULUS_TS4 costs 89.817 real_cost = 320.559 3D-JIGSAW_POPULUS_TS3-scwrl costs 83.242 real_cost = 267.222 3D-JIGSAW_POPULUS_TS3 costs 83.242 real_cost = 267.222 3D-JIGSAW_POPULUS_TS2-scwrl costs 94.068 real_cost = 159.163 3D-JIGSAW_POPULUS_TS2 costs 94.068 real_cost = 158.717 3D-JIGSAW_POPULUS_TS1-scwrl costs 93.976 real_cost = 209.395 3D-JIGSAW_POPULUS_TS1 costs 93.976 real_cost = 209.401 dimer//dimer-1v30-try24 costs 74.772 real_cost = 49.819 dimer//dimer-1v30-try16 costs 65.870 real_cost = 72.528 dimer//dimer-1v30-chimera-22-2 costs 62.991 real_cost = 47.906 dimer//dimer-1v30-24-shifted4 costs 74.526 real_cost = 68.349 dimer//dimer-1v30-24-shifted4-repack costs 61.817 real_cost = 73.647 dimer//dimer-1v30-24-shifted3 costs 73.731 real_cost = 66.330 dimer//dimer-1v30-24-shifted costs 75.147 real_cost = 65.141 dimer//try1-opt2.unpack costs 87.295 real_cost = 76.948 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 62.409 real_cost = 77.358 dimer//try1-opt2.unpack.gromacs0 costs 62.409 real_cost = 76.172 dimer//try1-opt2.repack-nonPC costs 87.295 real_cost = 77.024 dimer//try1-opt2 costs 87.295 real_cost = 76.948 dimer//try1-opt1 costs 76.204 real_cost = 76.329 dimer//try1-opt1-scwrl costs 77.481 real_cost = 72.526 try24-shifted4.pdb.gz costs 74.526 real_cost = 68.415 try24-shifted4.gromacs0.repack-nonPC.pdb.gz costs 61.817 real_cost = 73.772 try24-shifted4.gromacs0.pdb.gz costs 61.817 real_cost = 74.777 chimera-39-1.pdb.gz costs 66.733 real_cost = 29.347 chimera-35-2.pdb.gz costs 67.191 real_cost = 71.070 chimera-35-2-2.pdb.gz costs 64.252 real_cost = 69.232 chimera-23-shifted4-2.pdb.gz costs 73.707 real_cost = 50.831 chimera-22-shifted.pdb.gz costs 64.124 real_cost = 44.938 chimera-22-2.pdb.gz costs 62.991 real_cost = 48.026 chimera-19-1.pdb.gz costs 70.852 real_cost = 51.222 T0342.try9-opt2.repack-nonPC.pdb.gz costs 61.718 real_cost = 93.351 T0342.try9-opt2.pdb.gz costs 61.718 real_cost = 96.979 T0342.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.848 real_cost = 94.114 T0342.try9-opt2.gromacs0.pdb.gz costs 51.848 real_cost = 98.899 T0342.try9-opt1.pdb.gz costs 61.417 real_cost = 96.816 T0342.try9-opt1-scwrl.pdb.gz costs 61.417 real_cost = 94.714 T0342.try8-opt2.repack-nonPC.pdb.gz costs 63.308 real_cost = 95.291 T0342.try8-opt2.pdb.gz costs 63.308 real_cost = 98.306 T0342.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.320 real_cost = 98.829 T0342.try8-opt2.gromacs0.pdb.gz costs 53.320 real_cost = 102.101 T0342.try8-opt1.pdb.gz costs 62.943 real_cost = 98.733 T0342.try8-opt1-scwrl.pdb.gz costs 62.943 real_cost = 97.946 T0342.try7-opt2.repack-nonPC.pdb.gz costs 62.481 real_cost = 95.247 T0342.try7-opt2.pdb.gz costs 62.481 real_cost = 97.010 T0342.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.316 real_cost = 95.891 T0342.try7-opt2.gromacs0.pdb.gz costs 52.316 real_cost = 99.911 T0342.try7-opt1.pdb.gz costs 60.464 real_cost = 98.693 T0342.try7-opt1-scwrl.pdb.gz costs 60.464 real_cost = 95.487 T0342.try6-opt2.repack-nonPC.pdb.gz costs 67.497 real_cost = 28.062 T0342.try6-opt2.pdb.gz costs 67.497 real_cost = 29.557 T0342.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.519 real_cost = 27.170 T0342.try6-opt2.gromacs0.pdb.gz costs 58.519 real_cost = 28.308 T0342.try6-opt1.pdb.gz costs 62.474 real_cost = 30.177 T0342.try6-opt1-scwrl.pdb.gz costs 62.474 real_cost = 36.614 T0342.try57-opt2.repack-nonPC.pdb.gz costs 76.736 real_cost = 110.622 T0342.try57-opt2.pdb.gz costs 76.736 real_cost = 108.414 T0342.try57-opt2.gromacs0.repack-nonPC.pdb.gz costs 66.045 real_cost = 113.644 T0342.try57-opt2.gromacs0.pdb.gz costs 66.045 real_cost = 115.890 T0342.try57-opt1.pdb.gz costs 71.392 real_cost = 116.159 T0342.try57-opt1-scwrl.pdb.gz costs 71.392 real_cost = 113.879 T0342.try56-opt2.repack-nonPC.pdb.gz costs 74.414 real_cost = 45.797 T0342.try56-opt2.pdb.gz costs 74.414 real_cost = 46.680 T0342.try56-opt2.gromacs0.repack-nonPC.pdb.gz costs 61.167 real_cost = 43.771 T0342.try56-opt2.gromacs0.pdb.gz costs 61.167 real_cost = 45.940 T0342.try56-opt1.pdb.gz costs 75.994 real_cost = 44.294 T0342.try56-opt1-scwrl.pdb.gz costs 75.994 real_cost = 45.708 T0342.try55-opt2.repack-nonPC.pdb.gz costs 73.306 real_cost = 84.388 T0342.try55-opt2.pdb.gz costs 73.306 real_cost = 81.998 T0342.try55-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.310 real_cost = 89.040 T0342.try55-opt2.gromacs0.pdb.gz costs 54.310 real_cost = 84.487 T0342.try55-opt1.pdb.gz costs 73.267 real_cost = 87.790 T0342.try55-opt1-scwrl.pdb.gz costs 73.267 real_cost = 87.726 T0342.try54-opt2.repack-nonPC.pdb.gz costs 64.240 real_cost = 42.574 T0342.try54-opt2.pdb.gz costs 64.240 real_cost = 43.764 T0342.try54-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.283 real_cost = 45.098 T0342.try54-opt2.gromacs0.pdb.gz costs 50.283 real_cost = 46.088 T0342.try54-opt1.pdb.gz costs 64.253 real_cost = 45.941 T0342.try54-opt1-scwrl.pdb.gz costs 64.253 real_cost = 44.036 T0342.try53-opt2.repack-nonPC.pdb.gz costs 67.646 real_cost = 88.434 T0342.try53-opt2.pdb.gz costs 67.646 real_cost = 89.371 T0342.try53-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.816 real_cost = 87.578 T0342.try53-opt2.gromacs0.pdb.gz costs 62.816 real_cost = 86.494 T0342.try53-opt1.pdb.gz costs 66.587 real_cost = 89.321 T0342.try53-opt1-scwrl.pdb.gz costs 66.587 real_cost = 87.049 T0342.try52-opt2.repack-nonPC.pdb.gz costs 76.429 real_cost = 37.477 T0342.try52-opt2.pdb.gz costs 76.429 real_cost = 38.452 T0342.try52-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.603 real_cost = 43.186 T0342.try52-opt2.gromacs0.pdb.gz costs 57.603 real_cost = 41.820 T0342.try52-opt1.pdb.gz costs 76.313 real_cost = 37.632 T0342.try52-opt1-scwrl.pdb.gz costs 76.313 real_cost = 35.667 T0342.try51-opt2.repack-nonPC.pdb.gz costs 72.459 real_cost = 39.339 T0342.try51-opt2.pdb.gz costs 72.459 real_cost = 37.707 T0342.try51-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.175 real_cost = 38.612 T0342.try51-opt2.gromacs0.pdb.gz costs 60.175 real_cost = 37.222 T0342.try51-opt1.pdb.gz costs 73.769 real_cost = 38.980 T0342.try51-opt1-scwrl.pdb.gz costs 73.769 real_cost = 44.514 T0342.try50-opt2.repack-nonPC.pdb.gz costs 57.563 real_cost = 91.743 T0342.try50-opt2.pdb.gz costs 57.563 real_cost = 94.324 T0342.try50-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.612 real_cost = 91.126 T0342.try50-opt2.gromacs0.pdb.gz costs 56.612 real_cost = 94.706 T0342.try50-opt1.pdb.gz costs 58.153 real_cost = 89.854 T0342.try50-opt1-scwrl.pdb.gz costs 58.153 real_cost = 92.050 T0342.try5-opt2.repack-nonPC.pdb.gz costs 68.993 real_cost = 50.704 T0342.try5-opt2.pdb.gz costs 68.993 real_cost = 52.694 T0342.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.180 real_cost = 45.185 T0342.try5-opt2.gromacs0.pdb.gz costs 60.180 real_cost = 47.937 T0342.try5-opt1.pdb.gz costs 64.042 real_cost = 54.006 T0342.try5-opt1-scwrl.pdb.gz costs 64.042 real_cost = 55.920 T0342.try49-opt2.repack-nonPC.pdb.gz costs 64.160 real_cost = 63.574 T0342.try49-opt2.pdb.gz costs 64.160 real_cost = 63.203 T0342.try49-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.985 real_cost = 62.878 T0342.try49-opt2.gromacs0.pdb.gz costs 59.985 real_cost = 65.876 T0342.try49-opt1.pdb.gz costs 64.464 real_cost = 68.115 T0342.try49-opt1-scwrl.pdb.gz costs 64.464 real_cost = 67.124 T0342.try48-opt2.repack-nonPC.pdb.gz costs 73.976 real_cost = 40.485 T0342.try48-opt2.pdb.gz costs 73.976 real_cost = 43.587 T0342.try48-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.589 real_cost = 41.063 T0342.try48-opt2.gromacs0.pdb.gz costs 56.589 real_cost = 40.939 T0342.try48-opt1.pdb.gz costs 75.399 real_cost = 42.982 T0342.try48-opt1-scwrl.pdb.gz costs 75.399 real_cost = 39.343 T0342.try47-opt2.repack-nonPC.pdb.gz costs 65.720 real_cost = 82.477 T0342.try47-opt2.pdb.gz costs 65.720 real_cost = 80.989 T0342.try47-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.645 real_cost = 82.116 T0342.try47-opt2.gromacs0.pdb.gz costs 53.645 real_cost = 83.071 T0342.try47-opt1.pdb.gz costs 62.496 real_cost = 79.406 T0342.try47-opt1-scwrl.pdb.gz costs 62.496 real_cost = 80.482 T0342.try46-opt2.repack-nonPC.pdb.gz costs 76.985 real_cost = 38.570 T0342.try46-opt2.pdb.gz costs 76.985 real_cost = 43.418 T0342.try46-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.132 real_cost = 38.733 T0342.try46-opt2.gromacs0.pdb.gz costs 56.132 real_cost = 43.406 T0342.try46-opt1.pdb.gz costs 76.109 real_cost = 41.968 T0342.try46-opt1-scwrl.pdb.gz costs 76.109 real_cost = 37.630 T0342.try45-opt2.repack-nonPC.pdb.gz costs 60.437 real_cost = 84.038 T0342.try45-opt2.pdb.gz costs 60.437 real_cost = 85.126 T0342.try45-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.606 real_cost = 90.275 T0342.try45-opt2.gromacs0.pdb.gz costs 49.606 real_cost = 92.053 T0342.try45-opt1.pdb.gz costs 59.577 real_cost = 86.246 T0342.try45-opt1-scwrl.pdb.gz costs 59.577 real_cost = 85.420 T0342.try44-opt2.repack-nonPC.pdb.gz costs 75.575 real_cost = 42.345 T0342.try44-opt2.pdb.gz costs 75.575 real_cost = 43.091 T0342.try44-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.244 real_cost = 40.839 T0342.try44-opt2.gromacs0.pdb.gz costs 57.244 real_cost = 40.844 T0342.try44-opt1.pdb.gz costs 75.532 real_cost = 41.198 T0342.try44-opt1-scwrl.pdb.gz costs 75.532 real_cost = 37.288 T0342.try43-opt2.repack-nonPC.pdb.gz costs 66.567 real_cost = 96.727 T0342.try43-opt2.pdb.gz costs 66.567 real_cost = 94.853 T0342.try43-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.216 real_cost = 97.946 T0342.try43-opt2.gromacs0.pdb.gz costs 54.216 real_cost = 98.235 T0342.try43-opt1.pdb.gz costs 63.421 real_cost = 92.620 T0342.try43-opt1-scwrl.pdb.gz costs 63.421 real_cost = 93.645 T0342.try42-opt2.repack-nonPC.pdb.gz costs 74.802 real_cost = 43.686 T0342.try42-opt2.pdb.gz costs 74.802 real_cost = 44.215 T0342.try42-opt2.gromacs0.repack-nonPC.pdb.gz costs 61.060 real_cost = 40.991 T0342.try42-opt2.gromacs0.pdb.gz costs 61.060 real_cost = 45.103 T0342.try42-opt1.pdb.gz costs 75.236 real_cost = 45.646 T0342.try42-opt1-scwrl.pdb.gz costs 75.236 real_cost = 45.690 T0342.try41-opt2.repack-nonPC.pdb.gz costs 61.070 real_cost = 78.326 T0342.try41-opt2.pdb.gz costs 61.070 real_cost = 82.778 T0342.try41-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.687 real_cost = 80.447 T0342.try41-opt2.gromacs0.pdb.gz costs 52.687 real_cost = 86.671 T0342.try41-opt1.pdb.gz costs 57.540 real_cost = 84.423 T0342.try41-opt1-scwrl.pdb.gz costs 57.540 real_cost = 79.725 T0342.try40-opt2.repack-nonPC.pdb.gz costs 63.471 real_cost = 45.837 T0342.try40-opt2.pdb.gz costs 63.471 real_cost = 44.094 T0342.try40-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.265 real_cost = 48.988 T0342.try40-opt2.gromacs0.pdb.gz costs 50.265 real_cost = 47.851 T0342.try40-opt1.pdb.gz costs 62.203 real_cost = 46.290 T0342.try40-opt1-scwrl.pdb.gz costs 62.203 real_cost = 46.784 T0342.try4-opt2.repack-nonPC.pdb.gz costs 65.627 real_cost = 94.695 T0342.try4-opt2.pdb.gz costs 65.627 real_cost = 95.745 T0342.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.057 real_cost = 94.411 T0342.try4-opt2.gromacs0.pdb.gz costs 53.057 real_cost = 99.292 T0342.try4-opt1.pdb.gz costs 64.518 real_cost = 95.027 T0342.try4-opt1-scwrl.pdb.gz costs 64.518 real_cost = 94.023 T0342.try39-opt2.repack-nonPC.pdb.gz costs 61.969 real_cost = 49.890 T0342.try39-opt2.pdb.gz costs 61.969 real_cost = 46.959 T0342.try39-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.528 real_cost = 49.130 T0342.try39-opt2.gromacs0.pdb.gz costs 49.528 real_cost = 49.487 T0342.try39-opt1.pdb.gz costs 58.691 real_cost = 51.736 T0342.try39-opt1-scwrl.pdb.gz costs 58.691 real_cost = 51.193 T0342.try38-opt2.repack-nonPC.pdb.gz costs 65.611 real_cost = 90.455 T0342.try38-opt2.pdb.gz costs 65.611 real_cost = 91.326 T0342.try38-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.311 real_cost = 91.583 T0342.try38-opt2.gromacs0.pdb.gz costs 54.311 real_cost = 94.738 T0342.try38-opt1.pdb.gz costs 61.525 real_cost = 87.867 T0342.try38-opt1-scwrl.pdb.gz costs 61.525 real_cost = 87.164 T0342.try37-opt2.repack-nonPC.pdb.gz costs 61.236 real_cost = 45.686 T0342.try37-opt2.pdb.gz costs 61.236 real_cost = 46.357 T0342.try37-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.000 real_cost = 46.041 T0342.try37-opt2.gromacs0.pdb.gz costs 49.000 real_cost = 51.163 T0342.try37-opt1.pdb.gz costs 58.569 real_cost = 52.110 T0342.try37-opt1-scwrl.pdb.gz costs 58.569 real_cost = 50.959 T0342.try36-opt2.repack-nonPC.pdb.gz costs 64.957 real_cost = 71.963 T0342.try36-opt2.pdb.gz costs 64.957 real_cost = 70.282 T0342.try36-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.153 real_cost = 72.205 T0342.try36-opt2.gromacs0.pdb.gz costs 54.153 real_cost = 73.988 T0342.try36-opt1.pdb.gz costs 65.101 real_cost = 71.882 T0342.try36-opt1-scwrl.pdb.gz costs 65.101 real_cost = 71.909 T0342.try35-opt2.repack-nonPC.pdb.gz costs 59.838 real_cost = 73.711 T0342.try35-opt2.pdb.gz costs 59.838 real_cost = 73.491 T0342.try35-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.542 real_cost = 74.797 T0342.try35-opt2.gromacs0.pdb.gz costs 48.542 real_cost = 77.155 T0342.try35-opt1.pdb.gz costs 56.281 real_cost = 80.375 T0342.try35-opt1-scwrl.pdb.gz costs 56.281 real_cost = 78.324 T0342.try34-opt2.repack-nonPC.pdb.gz costs 58.704 real_cost = 110.373 T0342.try34-opt2.pdb.gz costs 58.704 real_cost = 113.480 T0342.try34-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.685 real_cost = 109.819 T0342.try34-opt2.gromacs0.pdb.gz costs 51.685 real_cost = 114.072 T0342.try34-opt1.pdb.gz costs 58.963 real_cost = 114.315 T0342.try34-opt1-scwrl.pdb.gz costs 58.963 real_cost = 110.912 T0342.try33-opt2.repack-nonPC.pdb.gz costs 54.880 real_cost = 113.269 T0342.try33-opt2.pdb.gz costs 54.880 real_cost = 112.575 T0342.try33-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.915 real_cost = 111.183 T0342.try33-opt2.gromacs0.pdb.gz costs 52.915 real_cost = 111.316 T0342.try33-opt1.pdb.gz costs 53.917 real_cost = 108.716 T0342.try33-opt1-scwrl.pdb.gz costs 53.917 real_cost = 108.706 T0342.try32-opt2.repack-nonPC.pdb.gz costs 74.959 real_cost = 46.110 T0342.try32-opt2.pdb.gz costs 74.959 real_cost = 45.671 T0342.try32-opt2.gromacs0.repack-nonPC.pdb.gz costs 61.477 real_cost = 42.553 T0342.try32-opt2.gromacs0.pdb.gz costs 61.477 real_cost = 43.510 T0342.try32-opt1.pdb.gz costs 75.352 real_cost = 45.572 T0342.try32-opt1-scwrl.pdb.gz costs 75.352 real_cost = 46.985 T0342.try31-opt2.repack-nonPC.pdb.gz costs 77.058 real_cost = 38.508 T0342.try31-opt2.pdb.gz costs 77.058 real_cost = 42.299 T0342.try31-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.993 real_cost = 45.593 T0342.try31-opt2.gromacs0.pdb.gz costs 56.993 real_cost = 43.967 T0342.try31-opt1.pdb.gz costs 77.584 real_cost = 42.563 T0342.try31-opt1-scwrl.pdb.gz costs 77.584 real_cost = 38.621 T0342.try30-opt2.repack-nonPC.pdb.gz costs 79.089 real_cost = 41.422 T0342.try30-opt2.pdb.gz costs 79.089 real_cost = 42.679 T0342.try30-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.449 real_cost = 43.213 T0342.try30-opt2.gromacs0.pdb.gz costs 57.449 real_cost = 43.521 T0342.try30-opt1.pdb.gz costs 78.896 real_cost = 40.793 T0342.try30-opt1-scwrl.pdb.gz costs 78.896 real_cost = 39.194 T0342.try3-opt2.repack-nonPC.pdb.gz costs 77.422 real_cost = 65.793 T0342.try3-opt2.pdb.gz costs 77.422 real_cost = 67.297 T0342.try3-opt2.gromacs0.pdb.gz costs 63.987 real_cost = 68.639 T0342.try3-opt1.pdb.gz costs 71.901 real_cost = 65.912 T0342.try3-opt1-scwrl.pdb.gz costs 71.901 real_cost = 65.695 T0342.try29-opt2.repack-nonPC.pdb.gz costs 82.361 real_cost = 41.523 T0342.try29-opt2.pdb.gz costs 82.361 real_cost = 40.732 T0342.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.149 real_cost = 37.132 T0342.try29-opt2.gromacs0.pdb.gz costs 58.149 real_cost = 38.461 T0342.try29-opt1.pdb.gz costs 74.471 real_cost = 39.807 T0342.try29-opt1-scwrl.pdb.gz costs 74.471 real_cost = 40.590 T0342.try28-opt2.repack-nonPC.pdb.gz costs 75.683 real_cost = 82.202 T0342.try28-opt2.pdb.gz costs 75.683 real_cost = 85.271 T0342.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.625 real_cost = 81.911 T0342.try28-opt2.gromacs0.pdb.gz costs 51.625 real_cost = 84.235 T0342.try28-opt1.pdb.gz costs 69.301 real_cost = 63.867 T0342.try28-opt1-scwrl.pdb.gz costs 69.301 real_cost = 63.784 T0342.try27-opt2.repack-nonPC.pdb.gz costs 70.647 real_cost = 87.256 T0342.try27-opt2.pdb.gz costs 70.647 real_cost = 91.043 T0342.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.541 real_cost = 92.844 T0342.try27-opt2.gromacs0.pdb.gz costs 53.541 real_cost = 92.321 T0342.try27-opt1.pdb.gz costs 66.802 real_cost = 86.565 T0342.try27-opt1-scwrl.pdb.gz costs 66.802 real_cost = 86.728 T0342.try26-opt2.repack-nonPC.pdb.gz costs 75.691 real_cost = 85.679 T0342.try26-opt2.pdb.gz costs 75.691 real_cost = 86.712 T0342.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.916 real_cost = 86.489 T0342.try26-opt2.gromacs0.pdb.gz costs 53.916 real_cost = 87.748 T0342.try26-opt1.pdb.gz costs 70.127 real_cost = 83.836 T0342.try26-opt1-scwrl.pdb.gz costs 70.127 real_cost = 83.847 T0342.try25-opt2.repack-nonPC.pdb.gz costs 73.618 real_cost = 62.313 T0342.try25-opt2.pdb.gz costs 73.618 real_cost = 61.106 T0342.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.139 real_cost = 60.400 T0342.try25-opt2.gromacs0.pdb.gz costs 54.139 real_cost = 60.493 T0342.try25-opt1.pdb.gz costs 68.741 real_cost = 58.268 T0342.try25-opt1-scwrl.pdb.gz costs 68.741 real_cost = 61.456 T0342.try24-opt2.repack-nonPC.pdb.gz costs 74.772 real_cost = 49.583 T0342.try24-opt2.pdb.gz costs 74.772 real_cost = 49.848 T0342.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.489 real_cost = 50.932 T0342.try24-opt2.gromacs0.pdb.gz costs 60.489 real_cost = 50.597 T0342.try24-opt1.pdb.gz costs 72.694 real_cost = 46.640 T0342.try24-opt1-scwrl.pdb.gz costs 72.694 real_cost = 49.007 T0342.try23-opt2.repack-nonPC.pdb.gz costs 72.438 real_cost = 51.148 T0342.try23-opt2.pdb.gz costs 72.438 real_cost = 50.571 T0342.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.518 real_cost = 55.293 T0342.try23-opt2.gromacs0.pdb.gz costs 60.518 real_cost = 49.486 T0342.try23-opt1.pdb.gz costs 70.427 real_cost = 46.036 T0342.try23-opt1-scwrl.pdb.gz costs 70.427 real_cost = 52.413 T0342.try22-opt2.repack-nonPC.pdb.gz costs 75.272 real_cost = 46.340 T0342.try22-opt2.pdb.gz costs 75.272 real_cost = 45.696 T0342.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.309 real_cost = 35.567 T0342.try22-opt2.gromacs0.pdb.gz costs 62.309 real_cost = 40.517 T0342.try22-opt1.pdb.gz costs 76.069 real_cost = 45.990 T0342.try22-opt1-scwrl.pdb.gz costs 76.069 real_cost = 45.865 T0342.try21-opt2.repack-nonPC.pdb.gz costs 75.464 real_cost = 43.694 T0342.try21-opt2.pdb.gz costs 75.464 real_cost = 45.538 T0342.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.058 real_cost = 40.049 T0342.try21-opt2.gromacs0.pdb.gz costs 62.058 real_cost = 45.990 T0342.try21-opt1.pdb.gz costs 71.821 real_cost = 43.143 T0342.try21-opt1-scwrl.pdb.gz costs 71.821 real_cost = 43.584 T0342.try20-opt2.repack-nonPC.pdb.gz costs 64.207 real_cost = 93.039 T0342.try20-opt2.pdb.gz costs 64.207 real_cost = 92.497 T0342.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.711 real_cost = 92.207 T0342.try20-opt2.gromacs0.pdb.gz costs 55.711 real_cost = 90.806 T0342.try20-opt1.pdb.gz costs 65.063 real_cost = 89.206 T0342.try20-opt1-scwrl.pdb.gz costs 65.063 real_cost = 89.249 T0342.try2-opt2.repack-nonPC.pdb.gz costs 67.752 real_cost = 133.612 T0342.try2-opt2.pdb.gz costs 67.752 real_cost = 136.225 T0342.try2-opt2.gromacs0.pdb.gz costs 56.679 real_cost = 137.061 T0342.try2-opt1.pdb.gz costs 64.898 real_cost = 141.728 T0342.try2-opt1-scwrl.pdb.gz costs 64.898 real_cost = 140.994 T0342.try19-opt2.repack-nonPC.pdb.gz costs 69.517 real_cost = 85.017 T0342.try19-opt2.pdb.gz costs 69.517 real_cost = 86.629 T0342.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.315 real_cost = 89.257 T0342.try19-opt2.gromacs0.pdb.gz costs 62.315 real_cost = 90.533 T0342.try19-opt1.pdb.gz costs 66.040 real_cost = 93.160 T0342.try19-opt1-scwrl.pdb.gz costs 66.040 real_cost = 93.074 T0342.try18-opt2.repack-nonPC.pdb.gz costs 68.491 real_cost = 85.204 T0342.try18-opt2.pdb.gz costs 68.491 real_cost = 83.497 T0342.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.239 real_cost = 86.095 T0342.try18-opt2.gromacs0.pdb.gz costs 59.239 real_cost = 84.680 T0342.try18-opt1.pdb.gz costs 67.800 real_cost = 88.630 T0342.try18-opt1-scwrl.pdb.gz costs 67.800 real_cost = 85.190 T0342.try17-opt2.repack-nonPC.pdb.gz costs 65.004 real_cost = 73.865 T0342.try17-opt2.pdb.gz costs 65.004 real_cost = 77.518 T0342.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.645 real_cost = 84.089 T0342.try17-opt2.gromacs0.pdb.gz costs 58.645 real_cost = 85.473 T0342.try17-opt1.pdb.gz costs 69.637 real_cost = 82.631 T0342.try17-opt1-scwrl.pdb.gz costs 69.637 real_cost = 85.778 T0342.try16-opt2.repack-nonPC.pdb.gz costs 65.870 real_cost = 70.315 T0342.try16-opt2.pdb.gz costs 65.870 real_cost = 72.663 T0342.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.642 real_cost = 69.305 T0342.try16-opt2.gromacs0.pdb.gz costs 59.642 real_cost = 75.108 T0342.try16-opt1.pdb.gz costs 64.547 real_cost = 77.780 T0342.try16-opt1-scwrl.pdb.gz costs 64.547 real_cost = 72.283 T0342.try15-opt2.repack-nonPC.pdb.gz costs 74.056 real_cost = 50.229 T0342.try15-opt2.pdb.gz costs 74.056 real_cost = 47.961 T0342.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.774 real_cost = 52.137 T0342.try15-opt2.gromacs0.pdb.gz costs 60.774 real_cost = 50.887 T0342.try15-opt1.pdb.gz costs 63.599 real_cost = 63.098 T0342.try15-opt1-scwrl.pdb.gz costs 63.599 real_cost = 63.323 T0342.try14-opt2.repack-nonPC.pdb.gz costs 131.675 real_cost = 351.922 T0342.try14-opt2.pdb.gz costs 131.675 real_cost = 351.979 T0342.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 126.067 real_cost = 352.170 T0342.try14-opt2.gromacs0.pdb.gz costs 126.067 real_cost = 352.295 T0342.try14-opt1.pdb.gz costs 128.201 real_cost = 353.295 T0342.try14-opt1-scwrl.pdb.gz costs 128.201 real_cost = 353.299 T0342.try13-opt2.repack-nonPC.pdb.gz costs 128.408 real_cost = 349.132 T0342.try13-opt2.pdb.gz costs 128.408 real_cost = 349.202 T0342.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 124.504 real_cost = 348.750 T0342.try13-opt2.gromacs0.pdb.gz costs 124.504 real_cost = 349.044 T0342.try13-opt1.pdb.gz costs 126.490 real_cost = 350.136 T0342.try13-opt1-scwrl.pdb.gz costs 126.490 real_cost = 349.978 T0342.try12-opt2.repack-nonPC.pdb.gz costs 67.450 real_cost = 85.894 T0342.try12-opt2.pdb.gz costs 67.450 real_cost = 85.205 T0342.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 61.214 real_cost = 85.949 T0342.try12-opt2.gromacs0.pdb.gz costs 61.214 real_cost = 87.610 T0342.try12-opt1.pdb.gz costs 64.951 real_cost = 83.912 T0342.try12-opt1-scwrl.pdb.gz costs 64.951 real_cost = 81.158 T0342.try11-opt2.repack-nonPC.pdb.gz costs 63.538 real_cost = 46.319 T0342.try11-opt2.pdb.gz costs 63.538 real_cost = 50.610 T0342.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.572 real_cost = 45.169 T0342.try11-opt2.gromacs0.pdb.gz costs 54.572 real_cost = 51.830 T0342.try11-opt1.pdb.gz costs 61.769 real_cost = 53.855 T0342.try11-opt1-scwrl.pdb.gz costs 61.769 real_cost = 52.235 T0342.try10-opt2.repack-nonPC.pdb.gz costs 81.697 real_cost = 242.565 T0342.try10-opt2.pdb.gz costs 81.697 real_cost = 243.983 T0342.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 81.541 real_cost = 238.980 T0342.try10-opt2.gromacs0.pdb.gz costs 81.541 real_cost = 240.375 T0342.try10-opt1.pdb.gz costs 82.109 real_cost = 239.736 T0342.try10-opt1-scwrl.pdb.gz costs 82.109 real_cost = 241.355 T0342.try1-opt2.repack-nonPC.pdb.gz costs 75.330 real_cost = 58.664 T0342.try1-opt2.pdb.gz costs 75.330 real_cost = 59.942 T0342.try1-opt2.gromacs0.pdb.gz costs 59.285 real_cost = 60.743 T0342.try1-opt1.pdb.gz costs 70.474 real_cost = 63.052 T0342.try1-opt1-scwrl.pdb.gz costs 70.474 real_cost = 62.878 ../model5.ts-submitted costs 65.870 real_cost = 72.830 ../model4.ts-submitted costs 63.471 real_cost = 44.307 ../model3.ts-submitted costs 75.448 real_cost = 38.453 ../model2.ts-submitted costs 54.310 real_cost = 89.054 ../model1.ts-submitted costs 74.414 real_cost = 46.714 align5 costs 87.556 real_cost = 427.533 align4 costs 98.832 real_cost = 235.000 align3 costs 95.006 real_cost = 196.620 align2 costs 94.377 real_cost = 173.649 align1 costs 84.181 real_cost = 188.068 T0342.try1-opt2.pdb costs 75.330 real_cost = 59.942 model5-scwrl costs 65.870 real_cost = 70.555 model5.ts-submitted costs 65.870 real_cost = 72.830 model4-scwrl costs 63.471 real_cost = 42.908 model4.ts-submitted costs 63.471 real_cost = 44.307 model3-scwrl costs 75.448 real_cost = 38.837 model3.ts-submitted costs 75.448 real_cost = 38.453 model2-scwrl costs 54.310 real_cost = 87.619 model2.ts-submitted costs 54.310 real_cost = 89.054 model1-scwrl costs 74.414 real_cost = 46.337 model1.ts-submitted costs 74.414 real_cost = 46.691 2i5tA costs 44.490 real_cost = -869.200 # command:CPU_time= 999.644 sec, elapsed time= 1376.437 sec. # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.anglevector.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.anglevector.rdb mv -f decoys/evaluate.anglevector.pretty decoys/evaluate.anglevector.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.anglevector.rdb > decoys/evaluate.anglevector.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0342'