make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0308' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0308.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/T0308.} ;\ 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/T0308/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h57A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182790583 # 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= 6.939 sec, elapsed time= 6.991 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= 7.022 sec, elapsed time= 7.093 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0308 numbered 1 through 165 Created new target T0308 from T0308.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2h57A expands to /projects/compbio/data/pdb/2h57.pdb.gz 2h57A:Skipped atom 123, because occupancy 0.5 <= existing 0.500 in 2h57A Skipped atom 127, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 129, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 131, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 394, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 398, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 400, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 402, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 404, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 758, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 762, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 764, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 766, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 768, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1044, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1048, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1050, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1052, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1054, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1056, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1163, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1167, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1169, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1171, because occupancy 0.500 <= existing 0.500 in 2h57A Skipped atom 1173, because occupancy 0.500 <= existing 0.500 in 2h57A Read 165 residues and 1274 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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= 12.344 sec, elapsed time= 12.522 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 147 # 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 = -88.485 # GDT_score(maxd=8.000,maxw=2.900)= -91.633 # GDT_score(maxd=8.000,maxw=3.200)= -89.389 # GDT_score(maxd=8.000,maxw=3.500)= -86.855 # GDT_score(maxd=10.000,maxw=3.800)= -88.142 # GDT_score(maxd=10.000,maxw=4.000)= -86.380 # GDT_score(maxd=10.000,maxw=4.200)= -84.457 # GDT_score(maxd=12.000,maxw=4.300)= -86.886 # GDT_score(maxd=12.000,maxw=4.500)= -85.020 # GDT_score(maxd=12.000,maxw=4.700)= -83.009 # GDT_score(maxd=14.000,maxw=5.200)= -80.827 # GDT_score(maxd=14.000,maxw=5.500)= -77.578 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0308.model1-real.pdb for output Error: Couldn't open file T0308.model1-real.pdb for output superimposing iter= 0 total_weight= 1934.000 rmsd (weighted)= 2.449 (unweighted)= 9.426 superimposing iter= 1 total_weight= 6868.782 rmsd (weighted)= 0.891 (unweighted)= 9.442 superimposing iter= 2 total_weight= 2664.841 rmsd (weighted)= 0.604 (unweighted)= 9.444 superimposing iter= 3 total_weight= 1505.390 rmsd (weighted)= 0.552 (unweighted)= 9.443 superimposing iter= 4 total_weight= 1347.315 rmsd (weighted)= 0.535 (unweighted)= 9.443 superimposing iter= 5 total_weight= 1316.615 rmsd (weighted)= 0.525 (unweighted)= 9.442 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N GLU A 1 -5.980 20.406 26.195 1.00 0.00 ATOM 2 CA GLU A 1 -5.181 19.158 26.370 1.00 0.00 ATOM 3 CB GLU A 1 -5.584 18.284 24.937 1.00 0.00 ATOM 4 CG GLU A 1 -6.869 17.482 24.720 1.00 0.00 ATOM 5 CD GLU A 1 -7.052 16.327 25.692 1.00 0.00 ATOM 6 OE1 GLU A 1 -7.647 16.553 26.773 1.00 0.00 ATOM 7 OE2 GLU A 1 -6.620 15.185 25.373 1.00 0.00 ATOM 8 O GLU A 1 -2.837 18.961 26.771 1.00 0.00 ATOM 9 C GLU A 1 -3.721 19.307 25.977 1.00 0.00 ATOM 10 N VAL A 2 -3.449 19.825 24.798 1.00 0.00 ATOM 11 CA VAL A 2 -2.057 20.019 24.352 1.00 0.00 ATOM 12 CB VAL A 2 -1.946 19.971 22.808 1.00 0.00 ATOM 13 CG1 VAL A 2 -0.489 20.242 22.386 1.00 0.00 ATOM 14 CG2 VAL A 2 -2.446 18.641 22.308 1.00 0.00 ATOM 15 O VAL A 2 -2.281 22.383 24.504 1.00 0.00 ATOM 16 C VAL A 2 -1.602 21.405 24.784 1.00 0.00 ATOM 17 N HIS A 3 -0.476 21.492 25.486 1.00 0.00 ATOM 18 CA HIS A 3 -0.015 22.771 25.992 1.00 0.00 ATOM 19 CB HIS A 3 0.731 22.560 27.283 1.00 0.00 ATOM 20 CG HIS A 3 -0.014 21.727 28.263 1.00 0.00 ATOM 21 CD2 HIS A 3 0.063 20.408 28.561 1.00 0.00 ATOM 22 ND1 HIS A 3 -1.081 22.224 28.979 1.00 0.00 ATOM 23 CE1 HIS A 3 -1.592 21.257 29.725 1.00 0.00 ATOM 24 NE2 HIS A 3 -0.919 20.148 29.491 1.00 0.00 ATOM 25 O HIS A 3 1.995 23.039 24.734 1.00 0.00 ATOM 26 C HIS A 3 0.872 23.471 24.985 1.00 0.00 ATOM 27 N VAL A 4 0.411 24.623 24.514 1.00 0.00 ATOM 28 CA VAL A 4 1.119 25.415 23.511 1.00 0.00 ATOM 29 CB VAL A 4 0.252 25.624 22.254 1.00 0.00 ATOM 30 CG1 VAL A 4 1.043 26.353 21.177 1.00 0.00 ATOM 31 CG2 VAL A 4 -0.255 24.290 21.728 1.00 0.00 ATOM 32 O VAL A 4 0.667 27.472 24.661 1.00 0.00 ATOM 33 C VAL A 4 1.502 26.777 24.072 1.00 0.00 ATOM 34 N LEU A 5 2.766 27.142 23.883 1.00 0.00 ATOM 35 CA LEU A 5 3.257 28.440 24.331 1.00 0.00 ATOM 36 CB LEU A 5 4.591 28.278 25.122 1.00 0.00 ATOM 37 CG LEU A 5 5.149 29.576 25.746 1.00 0.00 ATOM 38 CD1 LEU A 5 4.365 30.066 26.945 1.00 0.00 ATOM 39 CD2 LEU A 5 6.515 29.285 26.191 1.00 0.00 ATOM 40 O LEU A 5 4.305 28.990 22.249 1.00 0.00 ATOM 41 C LEU A 5 3.470 29.311 23.097 1.00 0.00 ATOM 42 N CYS A 6 2.747 30.443 23.020 1.00 0.00 ATOM 43 CA CYS A 6 2.913 31.357 21.893 1.00 0.00 ATOM 44 CB CYS A 6 1.545 31.816 21.385 1.00 0.00 ATOM 45 SG CYS A 6 1.611 32.924 19.959 1.00 0.00 ATOM 46 O CYS A 6 3.252 33.368 23.173 1.00 0.00 ATOM 47 C CYS A 6 3.700 32.577 22.341 1.00 0.00 ATOM 48 N LEU A 7 4.885 32.726 21.762 1.00 0.00 ATOM 49 CA LEU A 7 5.790 33.805 22.142 1.00 0.00 ATOM 50 CB LEU A 7 7.010 33.252 22.837 1.00 0.00 ATOM 51 CG LEU A 7 6.757 32.497 24.147 1.00 0.00 ATOM 52 CD1 LEU A 7 8.089 31.970 24.697 1.00 0.00 ATOM 53 CD2 LEU A 7 6.091 33.426 25.156 1.00 0.00 ATOM 54 O LEU A 7 6.124 34.053 19.777 1.00 0.00 ATOM 55 C LEU A 7 6.334 34.505 20.902 1.00 0.00 ATOM 56 N GLY A 8 7.107 35.627 21.191 1.00 0.00 ATOM 57 CA GLY A 8 7.652 36.373 20.072 1.00 0.00 ATOM 58 O GLY A 8 7.277 38.130 21.642 1.00 0.00 ATOM 59 C GLY A 8 7.745 37.805 20.548 1.00 0.00 ATOM 60 N LEU A 9 8.346 38.686 19.777 1.00 0.00 ATOM 61 CA LEU A 9 8.489 40.082 20.141 1.00 0.00 ATOM 62 CB LEU A 9 9.365 40.818 19.114 1.00 0.00 ATOM 63 CG LEU A 9 10.762 40.264 18.820 1.00 0.00 ATOM 64 CD1 LEU A 9 11.444 41.135 17.763 1.00 0.00 ATOM 65 CD2 LEU A 9 11.598 40.226 20.097 1.00 0.00 ATOM 66 O LEU A 9 6.151 40.362 19.691 1.00 0.00 ATOM 67 C LEU A 9 7.156 40.796 20.251 1.00 0.00 ATOM 68 N ASP A 10 7.185 41.868 20.969 1.00 0.00 ATOM 69 CA ASP A 10 5.983 42.671 21.108 1.00 0.00 ATOM 70 CB ASP A 10 6.179 43.831 22.090 1.00 0.00 ATOM 71 CG ASP A 10 7.204 44.864 21.647 1.00 0.00 ATOM 72 OD1 ASP A 10 8.362 44.529 21.571 1.00 0.00 ATOM 73 OD2 ASP A 10 6.805 45.928 21.237 1.00 0.00 ATOM 74 O ASP A 10 6.573 43.308 18.860 1.00 0.00 ATOM 75 C ASP A 10 5.668 43.120 19.682 1.00 0.00 ATOM 76 N ASN A 11 4.308 43.334 19.469 1.00 0.00 ATOM 77 CA ASN A 11 3.790 43.800 18.178 1.00 0.00 ATOM 78 CB ASN A 11 4.550 45.017 17.683 1.00 0.00 ATOM 79 CG ASN A 11 4.329 46.249 18.516 1.00 0.00 ATOM 80 ND2 ASN A 11 5.285 47.138 18.476 1.00 0.00 ATOM 81 OD1 ASN A 11 3.269 46.425 19.131 1.00 0.00 ATOM 82 O ASN A 11 3.403 43.076 15.929 1.00 0.00 ATOM 83 C ASN A 11 3.785 42.759 17.058 1.00 0.00 ATOM 84 N SER A 12 4.182 41.520 17.362 1.00 0.00 ATOM 85 CA SER A 12 4.312 40.490 16.330 1.00 0.00 ATOM 86 CB SER A 12 5.178 39.353 16.836 1.00 0.00 ATOM 87 OG SER A 12 4.569 38.654 17.886 1.00 0.00 ATOM 88 O SER A 12 2.896 39.326 14.799 1.00 0.00 ATOM 89 C SER A 12 2.966 39.939 15.862 1.00 0.00 ATOM 90 N GLY A 13 1.903 40.139 16.648 1.00 0.00 ATOM 91 CA GLY A 13 0.575 39.682 16.262 1.00 0.00 ATOM 92 O GLY A 13 -0.918 37.842 16.587 1.00 0.00 ATOM 93 C GLY A 13 0.037 38.474 17.028 1.00 0.00 ATOM 94 N LYS A 14 0.660 38.151 18.165 1.00 0.00 ATOM 95 CA LYS A 14 0.273 36.988 18.976 1.00 0.00 ATOM 96 CB LYS A 14 1.114 37.423 20.435 1.00 0.00 ATOM 97 CG LYS A 14 2.454 38.214 20.255 1.00 0.00 ATOM 98 CD LYS A 14 2.936 38.865 21.524 1.00 0.00 ATOM 99 CE LYS A 14 3.798 39.943 21.042 1.00 0.00 ATOM 100 NZ LYS A 14 4.989 39.761 21.800 1.00 0.00 ATOM 101 O LYS A 14 -1.898 36.034 19.379 1.00 0.00 ATOM 102 C LYS A 14 -1.164 37.024 19.496 1.00 0.00 ATOM 103 N THR A 15 -1.563 38.158 20.079 1.00 0.00 ATOM 104 CA THR A 15 -2.911 38.312 20.617 1.00 0.00 ATOM 105 CB THR A 15 -3.151 39.549 21.377 1.00 0.00 ATOM 106 CG2 THR A 15 -2.209 39.590 22.576 1.00 0.00 ATOM 107 OG1 THR A 15 -2.923 40.709 20.565 1.00 0.00 ATOM 108 O THR A 15 -5.022 37.773 19.625 1.00 0.00 ATOM 109 C THR A 15 -3.943 38.342 19.495 1.00 0.00 ATOM 110 N THR A 16 -3.588 38.976 18.382 1.00 0.00 ATOM 111 CA THR A 16 -4.457 38.983 17.205 1.00 0.00 ATOM 112 CB THR A 16 -3.801 39.705 16.040 1.00 0.00 ATOM 113 CG2 THR A 16 -4.734 39.827 14.854 1.00 0.00 ATOM 114 OG1 THR A 16 -3.486 41.030 16.511 1.00 0.00 ATOM 115 O THR A 16 -5.835 37.159 16.475 1.00 0.00 ATOM 116 C THR A 16 -4.694 37.547 16.751 1.00 0.00 ATOM 117 N ILE A 17 -3.625 36.753 16.692 1.00 0.00 ATOM 118 CA ILE A 17 -3.758 35.351 16.295 1.00 0.00 ATOM 119 CB ILE A 17 -2.375 34.690 16.159 1.00 0.00 ATOM 120 CG1 ILE A 17 -1.611 35.290 14.976 1.00 0.00 ATOM 121 CG2 ILE A 17 -2.517 33.186 15.997 1.00 0.00 ATOM 122 CD1 ILE A 17 -0.152 34.896 14.928 1.00 0.00 ATOM 123 O ILE A 17 -5.385 33.654 16.813 1.00 0.00 ATOM 124 C ILE A 17 -4.587 34.484 17.259 1.00 0.00 ATOM 125 N ILE A 18 -4.359 34.668 18.564 1.00 0.00 ATOM 126 CA ILE A 18 -5.089 33.907 19.578 1.00 0.00 ATOM 127 CB ILE A 18 -4.770 34.416 21.000 1.00 0.00 ATOM 128 CG1 ILE A 18 -3.302 34.122 21.336 1.00 0.00 ATOM 129 CG2 ILE A 18 -5.705 33.771 22.017 1.00 0.00 ATOM 130 CD1 ILE A 18 -2.955 32.640 21.380 1.00 0.00 ATOM 131 O ILE A 18 -7.328 33.066 19.347 1.00 0.00 ATOM 132 C ILE A 18 -6.596 34.063 19.389 1.00 0.00 ATOM 133 N ASN A 19 -7.048 35.309 19.273 1.00 0.00 ATOM 134 CA ASN A 19 -8.482 35.562 19.204 1.00 0.00 ATOM 135 CB ASN A 19 -8.728 37.059 19.603 1.00 0.00 ATOM 136 CG ASN A 19 -8.798 37.291 21.094 1.00 0.00 ATOM 137 ND2 ASN A 19 -7.692 37.744 21.676 1.00 0.00 ATOM 138 OD1 ASN A 19 -9.835 37.059 21.722 1.00 0.00 ATOM 139 O ASN A 19 -10.207 34.813 17.729 1.00 0.00 ATOM 140 C ASN A 19 -9.048 35.207 17.840 1.00 0.00 ATOM 141 N LYS A 20 -8.236 35.369 16.786 1.00 0.00 ATOM 142 CA LYS A 20 -8.674 35.026 15.439 1.00 0.00 ATOM 143 CB LYS A 20 -7.643 35.490 14.410 1.00 0.00 ATOM 144 CG LYS A 20 -8.045 35.245 12.961 1.00 0.00 ATOM 145 CD LYS A 20 -9.251 36.088 12.572 1.00 0.00 ATOM 146 CE LYS A 20 -9.577 35.937 11.093 1.00 0.00 ATOM 147 NZ LYS A 20 -10.764 36.744 10.701 1.00 0.00 ATOM 148 O LYS A 20 -9.865 33.035 14.823 1.00 0.00 ATOM 149 C LYS A 20 -8.880 33.513 15.385 1.00 0.00 ATOM 150 N LEU A 21 -7.954 32.764 15.980 1.00 0.00 ATOM 151 CA LEU A 21 -8.096 31.316 16.059 1.00 0.00 ATOM 152 CB LEU A 21 -6.838 30.697 16.683 1.00 0.00 ATOM 153 CG LEU A 21 -5.646 30.539 15.730 1.00 0.00 ATOM 154 CD1 LEU A 21 -4.414 30.096 16.505 1.00 0.00 ATOM 155 CD2 LEU A 21 -5.993 29.530 14.643 1.00 0.00 ATOM 156 O LEU A 21 -10.187 30.188 16.455 1.00 0.00 ATOM 157 C LEU A 21 -9.317 30.938 16.886 1.00 0.00 ATOM 158 N LYS A 22 -9.461 31.427 18.075 1.00 0.00 ATOM 159 CA LYS A 22 -10.554 31.161 18.966 1.00 0.00 ATOM 160 CB LYS A 22 -10.179 31.386 20.412 1.00 0.00 ATOM 161 CG LYS A 22 -11.224 30.900 21.462 1.00 0.00 ATOM 162 CD LYS A 22 -11.122 29.391 21.678 1.00 0.00 ATOM 163 CE LYS A 22 -12.275 28.901 22.560 1.00 0.00 ATOM 164 NZ LYS A 22 -12.809 30.079 23.357 1.00 0.00 ATOM 165 O LYS A 22 -12.922 30.932 18.520 1.00 0.00 ATOM 166 C LYS A 22 -11.931 31.677 18.560 1.00 0.00 ATOM 167 N PRO A 23 -11.968 33.091 18.654 1.00 0.00 ATOM 168 CA PRO A 23 -13.239 33.791 18.484 1.00 0.00 ATOM 169 CB PRO A 23 -13.214 34.868 19.616 1.00 0.00 ATOM 170 CG PRO A 23 -12.077 34.588 20.334 1.00 0.00 ATOM 171 CD PRO A 23 -11.158 33.589 19.689 1.00 0.00 ATOM 172 O PRO A 23 -14.784 34.400 16.763 1.00 0.00 ATOM 173 C PRO A 23 -13.630 34.069 17.044 1.00 0.00 ATOM 174 N SER A 24 -12.658 33.996 16.134 1.00 0.00 ATOM 175 CA SER A 24 -12.909 34.268 14.726 1.00 0.00 ATOM 176 CB SER A 24 -14.142 33.525 14.251 1.00 0.00 ATOM 177 OG SER A 24 -14.002 32.137 14.379 1.00 0.00 ATOM 178 O SER A 24 -13.704 36.128 13.442 1.00 0.00 ATOM 179 C SER A 24 -13.083 35.745 14.441 1.00 0.00 ATOM 180 N ASN A 25 -12.564 36.555 15.200 1.00 0.00 ATOM 181 CA ASN A 25 -12.630 37.995 15.021 1.00 0.00 ATOM 182 CB ASN A 25 -13.606 38.612 16.022 1.00 0.00 ATOM 183 CG ASN A 25 -15.048 38.213 15.753 1.00 0.00 ATOM 184 ND2 ASN A 25 -15.585 37.340 16.596 1.00 0.00 ATOM 185 OD1 ASN A 25 -15.663 38.688 14.798 1.00 0.00 ATOM 186 O ASN A 25 -10.423 38.054 15.949 1.00 0.00 ATOM 187 C ASN A 25 -11.281 38.633 15.268 1.00 0.00 ATOM 188 N ALA A 26 -11.100 39.825 14.712 1.00 0.00 ATOM 189 CA ALA A 26 -9.896 40.607 14.959 1.00 0.00 ATOM 190 CB ALA A 26 -9.515 41.377 13.703 1.00 0.00 ATOM 191 O ALA A 26 -10.936 42.507 15.976 1.00 0.00 ATOM 192 C ALA A 26 -10.138 41.584 16.092 1.00 0.00 ATOM 193 N GLN A 27 -9.450 41.361 17.200 1.00 0.00 ATOM 194 CA GLN A 27 -9.656 42.139 18.415 1.00 0.00 ATOM 195 CB GLN A 27 -10.468 41.352 19.453 1.00 0.00 ATOM 196 CG GLN A 27 -11.879 40.956 19.013 1.00 0.00 ATOM 197 CD GLN A 27 -12.771 42.156 18.744 1.00 0.00 ATOM 198 OE1 GLN A 27 -13.023 42.974 19.639 1.00 0.00 ATOM 199 NE2 GLN A 27 -13.253 42.267 17.511 1.00 0.00 ATOM 200 O GLN A 27 -7.512 41.622 19.351 1.00 0.00 ATOM 201 C GLN A 27 -8.281 42.502 18.948 1.00 0.00 ATOM 202 N SER A 28 -7.936 43.782 18.891 1.00 0.00 ATOM 203 CA SER A 28 -6.649 44.218 19.416 1.00 0.00 ATOM 204 CB SER A 28 -5.918 45.078 18.398 1.00 0.00 ATOM 205 OG SER A 28 -6.566 46.328 18.258 1.00 0.00 ATOM 206 O SER A 28 -7.853 45.704 20.853 1.00 0.00 ATOM 207 C SER A 28 -6.869 44.978 20.717 1.00 0.00 ATOM 208 N GLN A 29 -6.065 44.735 21.684 1.00 0.00 ATOM 209 CA GLN A 29 -6.168 45.447 22.955 1.00 0.00 ATOM 210 CB GLN A 29 -6.608 44.468 24.051 1.00 0.00 ATOM 211 CG GLN A 29 -8.141 44.271 24.113 1.00 0.00 ATOM 212 CD GLN A 29 -8.924 45.555 23.870 1.00 0.00 ATOM 213 OE1 GLN A 29 -8.668 46.588 24.501 1.00 0.00 ATOM 214 NE2 GLN A 29 -9.878 45.503 22.936 1.00 0.00 ATOM 215 O GLN A 29 -3.790 45.339 23.187 1.00 0.00 ATOM 216 C GLN A 29 -4.845 45.874 23.537 1.00 0.00 ATOM 217 N ASN A 30 -4.874 46.858 24.434 1.00 0.00 ATOM 218 CA ASN A 30 -3.649 47.342 25.058 1.00 0.00 ATOM 219 CB ASN A 30 -3.937 48.585 25.918 1.00 0.00 ATOM 220 CG ASN A 30 -4.224 49.821 25.078 1.00 0.00 ATOM 221 ND2 ASN A 30 -5.063 50.717 25.595 1.00 0.00 ATOM 222 OD1 ASN A 30 -3.680 49.976 23.988 1.00 0.00 ATOM 223 O ASN A 30 -1.781 46.124 25.917 1.00 0.00 ATOM 224 C ASN A 30 -2.994 46.258 25.913 1.00 0.00 ATOM 225 N ILE A 31 -3.790 45.508 26.662 1.00 0.00 ATOM 226 CA ILE A 31 -3.260 44.460 27.524 1.00 0.00 ATOM 227 CB ILE A 31 -4.384 43.821 28.309 1.00 0.00 ATOM 228 CG1 ILE A 31 -4.903 44.832 29.336 1.00 0.00 ATOM 229 CG2 ILE A 31 -3.998 42.477 28.936 1.00 0.00 ATOM 230 CD1 ILE A 31 -6.208 44.548 30.024 1.00 0.00 ATOM 231 O ILE A 31 -1.433 42.965 27.106 1.00 0.00 ATOM 232 C ILE A 31 -2.518 43.394 26.716 1.00 0.00 ATOM 233 N LEU A 32 -3.190 42.985 25.570 1.00 0.00 ATOM 234 CA LEU A 32 -2.587 41.960 24.717 1.00 0.00 ATOM 235 CB LEU A 32 -3.597 41.571 23.633 1.00 0.00 ATOM 236 CG LEU A 32 -4.897 40.902 24.073 1.00 0.00 ATOM 237 CD1 LEU A 32 -5.850 40.803 22.924 1.00 0.00 ATOM 238 CD2 LEU A 32 -4.616 39.546 24.674 1.00 0.00 ATOM 239 O LEU A 32 -0.265 41.678 24.103 1.00 0.00 ATOM 240 C LEU A 32 -1.235 42.443 24.172 1.00 0.00 ATOM 241 N PRO A 33 -1.192 43.738 23.838 1.00 0.00 ATOM 242 CA PRO A 33 0.061 44.308 23.329 1.00 0.00 ATOM 243 CB PRO A 33 -0.367 45.728 22.896 1.00 0.00 ATOM 244 CG PRO A 33 -1.799 45.567 22.481 1.00 0.00 ATOM 245 CD PRO A 33 -2.367 44.571 23.472 1.00 0.00 ATOM 246 O PRO A 33 2.370 44.144 23.933 1.00 0.00 ATOM 247 C PRO A 33 1.191 44.277 24.330 1.00 0.00 ATOM 248 N THR A 34 0.840 44.404 25.635 1.00 0.00 ATOM 249 CA THR A 34 1.845 44.412 26.676 1.00 0.00 ATOM 250 CB THR A 34 2.504 45.796 26.823 1.00 0.00 ATOM 251 CG2 THR A 34 1.486 46.825 27.286 1.00 0.00 ATOM 252 OG1 THR A 34 3.572 45.721 27.776 1.00 0.00 ATOM 253 O THR A 34 0.053 44.305 28.254 1.00 0.00 ATOM 254 C THR A 34 1.212 43.994 27.996 1.00 0.00 ATOM 255 N ILE A 35 2.041 43.292 28.892 1.00 0.00 ATOM 256 CA ILE A 35 1.616 42.968 30.266 1.00 0.00 ATOM 257 CB ILE A 35 0.659 44.035 30.828 1.00 0.00 ATOM 258 CG1 ILE A 35 1.345 45.404 30.860 1.00 0.00 ATOM 259 CG2 ILE A 35 0.182 43.643 32.217 1.00 0.00 ATOM 260 CD1 ILE A 35 0.416 46.545 31.202 1.00 0.00 ATOM 261 O ILE A 35 -0.273 41.498 30.272 1.00 0.00 ATOM 262 C ILE A 35 0.918 41.643 30.523 1.00 0.00 ATOM 263 N GLY A 36 1.639 40.584 31.106 1.00 0.00 ATOM 264 CA GLY A 36 1.062 39.319 31.501 1.00 0.00 ATOM 265 O GLY A 36 1.768 38.026 29.612 1.00 0.00 ATOM 266 C GLY A 36 0.873 38.273 30.414 1.00 0.00 ATOM 267 N PHE A 37 -0.323 37.702 30.360 1.00 0.00 ATOM 268 CA PHE A 37 -0.652 36.698 29.355 1.00 0.00 ATOM 269 CB PHE A 37 -0.083 35.316 29.763 1.00 0.00 ATOM 270 CG PHE A 37 -0.713 34.785 31.074 1.00 0.00 ATOM 271 CD1 PHE A 37 -1.839 33.990 31.113 1.00 0.00 ATOM 272 CD2 PHE A 37 -0.123 35.128 32.281 1.00 0.00 ATOM 273 CE1 PHE A 37 -2.404 33.573 32.320 1.00 0.00 ATOM 274 CE2 PHE A 37 -0.674 34.740 33.494 1.00 0.00 ATOM 275 CZ PHE A 37 -1.822 33.975 33.531 1.00 0.00 ATOM 276 O PHE A 37 -2.952 37.012 29.975 1.00 0.00 ATOM 277 C PHE A 37 -2.149 36.632 29.114 1.00 0.00 ATOM 278 N SER A 38 -2.509 36.110 27.943 1.00 0.00 ATOM 279 CA SER A 38 -3.882 35.714 27.653 1.00 0.00 ATOM 280 CB SER A 38 -4.425 36.565 26.494 1.00 0.00 ATOM 281 OG SER A 38 -3.744 36.214 25.300 1.00 0.00 ATOM 282 O SER A 38 -2.860 33.644 27.015 1.00 0.00 ATOM 283 C SER A 38 -3.880 34.211 27.414 1.00 0.00 ATOM 284 N ILE A 39 -5.010 33.561 27.663 1.00 0.00 ATOM 285 CA ILE A 39 -5.103 32.115 27.462 1.00 0.00 ATOM 286 CB ILE A 39 -4.822 31.339 28.764 1.00 0.00 ATOM 287 CG1 ILE A 39 -4.934 29.838 28.491 1.00 0.00 ATOM 288 CG2 ILE A 39 -5.763 31.788 29.872 1.00 0.00 ATOM 289 CD1 ILE A 39 -4.486 28.961 29.657 1.00 0.00 ATOM 290 O ILE A 39 -7.504 32.186 27.501 1.00 0.00 ATOM 291 C ILE A 39 -6.495 31.714 26.967 1.00 0.00 ATOM 292 N GLU A 40 -6.424 30.788 25.921 1.00 0.00 ATOM 293 CA GLU A 40 -7.681 30.251 25.406 1.00 0.00 ATOM 294 CB GLU A 40 -8.182 31.096 24.231 1.00 0.00 ATOM 295 CG GLU A 40 -8.514 32.537 24.589 1.00 0.00 ATOM 296 CD GLU A 40 -9.774 32.622 25.406 1.00 0.00 ATOM 297 OE1 GLU A 40 -10.458 31.633 25.507 1.00 0.00 ATOM 298 OE2 GLU A 40 -9.994 33.640 26.018 1.00 0.00 ATOM 299 O GLU A 40 -6.335 28.477 24.549 1.00 0.00 ATOM 300 C GLU A 40 -7.438 28.819 24.992 1.00 0.00 ATOM 301 N LYS A 41 -8.470 27.994 25.115 1.00 0.00 ATOM 302 CA LYS A 41 -8.441 26.659 24.557 1.00 0.00 ATOM 303 CB LYS A 41 -9.131 25.674 25.501 1.00 0.00 ATOM 304 CG LYS A 41 -8.410 25.461 26.825 1.00 0.00 ATOM 305 CD LYS A 41 -9.194 24.531 27.741 1.00 0.00 ATOM 306 CE LYS A 41 -8.472 24.317 29.062 1.00 0.00 ATOM 307 NZ LYS A 41 -9.233 23.418 29.972 1.00 0.00 ATOM 308 O LYS A 41 -10.227 27.123 23.036 1.00 0.00 ATOM 309 C LYS A 41 -9.101 26.657 23.190 1.00 0.00 ATOM 310 N PHE A 42 -8.355 26.182 22.198 1.00 0.00 ATOM 311 CA PHE A 42 -8.817 26.098 20.823 1.00 0.00 ATOM 312 CB PHE A 42 -7.857 26.839 19.890 1.00 0.00 ATOM 313 CG PHE A 42 -8.261 26.795 18.444 1.00 0.00 ATOM 314 CD1 PHE A 42 -9.471 27.330 18.031 1.00 0.00 ATOM 315 CD2 PHE A 42 -7.432 26.218 17.494 1.00 0.00 ATOM 316 CE1 PHE A 42 -9.845 27.290 16.700 1.00 0.00 ATOM 317 CE2 PHE A 42 -7.801 26.176 16.164 1.00 0.00 ATOM 318 CZ PHE A 42 -9.010 26.712 15.768 1.00 0.00 ATOM 319 O PHE A 42 -8.041 23.842 20.626 1.00 0.00 ATOM 320 C PHE A 42 -8.967 24.638 20.435 1.00 0.00 ATOM 321 N LYS A 43 -10.127 24.304 19.919 1.00 0.00 ATOM 322 CA LYS A 43 -10.382 22.948 19.457 1.00 0.00 ATOM 323 CB LYS A 43 -11.797 22.500 19.830 1.00 0.00 ATOM 324 CG LYS A 43 -12.131 21.070 19.426 1.00 0.00 ATOM 325 CD LYS A 43 -13.550 20.697 19.835 1.00 0.00 ATOM 326 CE LYS A 43 -13.889 19.272 19.419 1.00 0.00 ATOM 327 NZ LYS A 43 -15.262 18.883 19.839 1.00 0.00 ATOM 328 O LYS A 43 -10.691 23.833 17.255 1.00 0.00 ATOM 329 C LYS A 43 -10.155 22.976 17.954 1.00 0.00 ATOM 330 N SER A 44 -9.333 22.049 17.476 1.00 0.00 ATOM 331 CA SER A 44 -9.096 21.896 16.050 1.00 0.00 ATOM 332 CB SER A 44 -7.751 22.509 15.657 1.00 0.00 ATOM 333 OG SER A 44 -7.505 22.353 14.270 1.00 0.00 ATOM 334 O SER A 44 -8.336 19.637 16.268 1.00 0.00 ATOM 335 C SER A 44 -9.083 20.420 15.688 1.00 0.00 ATOM 336 N SER A 45 -9.928 20.052 14.725 1.00 0.00 ATOM 337 CA SER A 45 -10.067 18.661 14.265 1.00 0.00 ATOM 338 CB SER A 45 -8.893 18.282 13.385 1.00 0.00 ATOM 339 OG SER A 45 -8.810 19.090 12.243 1.00 0.00 ATOM 340 O SER A 45 -9.583 16.711 15.588 1.00 0.00 ATOM 341 C SER A 45 -10.224 17.755 15.491 1.00 0.00 ATOM 342 N SER A 46 -11.084 18.138 16.515 1.00 0.00 ATOM 343 CA SER A 46 -11.280 17.318 17.710 1.00 0.00 ATOM 344 CB SER A 46 -11.740 15.939 17.281 1.00 0.00 ATOM 345 OG SER A 46 -12.932 15.984 16.546 1.00 0.00 ATOM 346 O SER A 46 -10.144 16.251 19.545 1.00 0.00 ATOM 347 C SER A 46 -10.110 17.142 18.694 1.00 0.00 ATOM 348 N LEU A 47 -9.099 18.006 18.580 1.00 0.00 ATOM 349 CA LEU A 47 -7.991 18.063 19.536 1.00 0.00 ATOM 350 CB LEU A 47 -6.696 17.991 18.765 1.00 0.00 ATOM 351 CG LEU A 47 -5.411 18.060 19.582 1.00 0.00 ATOM 352 CD1 LEU A 47 -5.376 16.993 20.661 1.00 0.00 ATOM 353 CD2 LEU A 47 -4.239 17.930 18.639 1.00 0.00 ATOM 354 O LEU A 47 -8.113 20.446 19.546 1.00 0.00 ATOM 355 C LEU A 47 -8.005 19.427 20.219 1.00 0.00 ATOM 356 N SER A 48 -7.905 19.441 21.547 1.00 0.00 ATOM 357 CA SER A 48 -7.932 20.696 22.298 1.00 0.00 ATOM 358 CB SER A 48 -8.762 20.518 23.555 1.00 0.00 ATOM 359 OG SER A 48 -10.105 20.238 23.263 1.00 0.00 ATOM 360 O SER A 48 -5.780 20.575 23.381 1.00 0.00 ATOM 361 C SER A 48 -6.576 21.259 22.725 1.00 0.00 ATOM 362 N PHE A 49 -6.301 22.503 22.332 1.00 0.00 ATOM 363 CA PHE A 49 -4.992 23.093 22.571 1.00 0.00 ATOM 364 CB PHE A 49 -4.346 23.566 21.267 1.00 0.00 ATOM 365 CG PHE A 49 -4.134 22.467 20.265 1.00 0.00 ATOM 366 CD1 PHE A 49 -5.109 22.167 19.326 1.00 0.00 ATOM 367 CD2 PHE A 49 -2.959 21.733 20.257 1.00 0.00 ATOM 368 CE1 PHE A 49 -4.916 21.157 18.404 1.00 0.00 ATOM 369 CE2 PHE A 49 -2.761 20.723 19.335 1.00 0.00 ATOM 370 CZ PHE A 49 -3.741 20.435 18.407 1.00 0.00 ATOM 371 O PHE A 49 -5.917 25.179 23.192 1.00 0.00 ATOM 372 C PHE A 49 -5.190 24.257 23.519 1.00 0.00 ATOM 373 N THR A 50 -4.509 24.250 24.659 1.00 0.00 ATOM 374 CA THR A 50 -4.488 25.402 25.565 1.00 0.00 ATOM 375 CB THR A 50 -4.198 24.916 26.958 1.00 0.00 ATOM 376 CG2 THR A 50 -4.140 26.122 27.915 1.00 0.00 ATOM 377 OG1 THR A 50 -5.293 24.099 27.418 1.00 0.00 ATOM 378 O THR A 50 -2.159 25.878 25.266 1.00 0.00 ATOM 379 C THR A 50 -3.319 26.274 25.145 1.00 0.00 ATOM 380 N VAL A 51 -3.638 27.456 24.635 1.00 0.00 ATOM 381 CA VAL A 51 -2.630 28.334 24.062 1.00 0.00 ATOM 382 CB VAL A 51 -3.141 29.002 22.773 1.00 0.00 ATOM 383 CG1 VAL A 51 -2.085 29.964 22.246 1.00 0.00 ATOM 384 CG2 VAL A 51 -3.435 27.933 21.734 1.00 0.00 ATOM 385 O VAL A 51 -3.299 30.246 25.342 1.00 0.00 ATOM 386 C VAL A 51 -2.386 29.485 25.019 1.00 0.00 ATOM 387 N PHE A 52 -1.134 29.601 25.456 1.00 0.00 ATOM 388 CA PHE A 52 -0.690 30.664 26.344 1.00 0.00 ATOM 389 CB PHE A 52 0.248 30.112 27.415 1.00 0.00 ATOM 390 CG PHE A 52 -0.467 29.349 28.526 1.00 0.00 ATOM 391 CD1 PHE A 52 -0.769 28.017 28.364 1.00 0.00 ATOM 392 CD2 PHE A 52 -0.799 30.027 29.697 1.00 0.00 ATOM 393 CE1 PHE A 52 -1.400 27.310 29.386 1.00 0.00 ATOM 394 CE2 PHE A 52 -1.418 29.321 30.726 1.00 0.00 ATOM 395 CZ PHE A 52 -1.711 27.979 30.552 1.00 0.00 ATOM 396 O PHE A 52 1.106 31.496 25.003 1.00 0.00 ATOM 397 C PHE A 52 0.012 31.722 25.522 1.00 0.00 ATOM 398 N ASP A 53 -0.644 32.872 25.396 1.00 0.00 ATOM 399 CA ASP A 53 -0.122 34.017 24.676 1.00 0.00 ATOM 400 CB ASP A 53 -1.304 34.805 24.140 1.00 0.00 ATOM 401 CG ASP A 53 -0.861 36.007 23.328 1.00 0.00 ATOM 402 OD1 ASP A 53 0.358 36.267 23.241 1.00 0.00 ATOM 403 OD2 ASP A 53 -1.748 36.689 22.777 1.00 0.00 ATOM 404 O ASP A 53 -0.110 35.657 26.420 1.00 0.00 ATOM 405 C ASP A 53 0.550 34.942 25.673 1.00 0.00 ATOM 406 N MET A 54 1.876 34.891 25.699 1.00 0.00 ATOM 407 CA MET A 54 2.646 35.579 26.731 1.00 0.00 ATOM 408 CB MET A 54 3.687 34.628 27.319 1.00 0.00 ATOM 409 CG MET A 54 4.387 35.153 28.564 1.00 0.00 ATOM 410 SD MET A 54 3.302 35.208 30.004 1.00 0.00 ATOM 411 CE MET A 54 4.234 36.278 31.094 1.00 0.00 ATOM 412 O MET A 54 3.825 36.781 25.032 1.00 0.00 ATOM 413 C MET A 54 3.301 36.827 26.141 1.00 0.00 ATOM 414 N SER A 55 3.222 37.943 26.866 1.00 0.00 ATOM 415 CA SER A 55 3.663 39.238 26.364 1.00 0.00 ATOM 416 CB SER A 55 3.442 40.310 27.413 1.00 0.00 ATOM 417 OG SER A 55 3.925 41.560 27.000 1.00 0.00 ATOM 418 O SER A 55 5.971 38.585 26.553 1.00 0.00 ATOM 419 C SER A 55 5.125 39.251 25.941 1.00 0.00 ATOM 420 N GLY A 56 5.393 40.019 24.814 1.00 0.00 ATOM 421 CA GLY A 56 6.744 40.052 24.292 1.00 0.00 ATOM 422 O GLY A 56 8.663 41.410 23.983 1.00 0.00 ATOM 423 C GLY A 56 7.551 41.322 24.495 1.00 0.00 ATOM 424 N GLN A 57 7.026 42.301 25.231 1.00 0.00 ATOM 425 CA GLN A 57 7.827 43.486 25.537 1.00 0.00 ATOM 426 CB GLN A 57 7.028 44.460 26.406 1.00 0.00 ATOM 427 CG GLN A 57 7.750 45.766 26.700 1.00 0.00 ATOM 428 CD GLN A 57 7.882 46.643 25.470 1.00 0.00 ATOM 429 OE1 GLN A 57 6.974 46.710 24.638 1.00 0.00 ATOM 430 NE2 GLN A 57 9.017 47.320 25.346 1.00 0.00 ATOM 431 O GLN A 57 9.071 42.048 26.987 1.00 0.00 ATOM 432 C GLN A 57 9.102 43.023 26.244 1.00 0.00 ATOM 433 N GLY A 58 10.319 43.630 25.939 1.00 0.00 ATOM 434 CA GLY A 58 11.582 43.153 26.488 1.00 0.00 ATOM 435 O GLY A 58 12.039 41.992 28.538 1.00 0.00 ATOM 436 C GLY A 58 11.567 43.005 28.013 1.00 0.00 ATOM 437 N ARG A 59 11.002 43.998 28.710 1.00 0.00 ATOM 438 CA ARG A 59 10.980 44.025 30.180 1.00 0.00 ATOM 439 CB ARG A 59 9.795 45.313 30.416 1.00 0.00 ATOM 440 CG ARG A 59 9.596 46.412 29.374 1.00 0.00 ATOM 441 CD ARG A 59 10.774 47.378 29.317 1.00 0.00 ATOM 442 NE ARG A 59 11.020 48.095 30.574 1.00 0.00 ATOM 443 CZ ARG A 59 10.401 49.212 30.953 1.00 0.00 ATOM 444 NH1 ARG A 59 9.478 49.771 30.185 1.00 0.00 ATOM 445 NH2 ARG A 59 10.735 49.791 32.101 1.00 0.00 ATOM 446 O ARG A 59 10.667 42.382 31.898 1.00 0.00 ATOM 447 C ARG A 59 10.349 42.763 30.766 1.00 0.00 ATOM 448 N TYR A 60 9.361 42.125 30.013 1.00 0.00 ATOM 449 CA TYR A 60 8.655 40.972 30.570 1.00 0.00 ATOM 450 CB TYR A 60 7.146 41.124 30.375 1.00 0.00 ATOM 451 CG TYR A 60 6.546 42.292 31.123 1.00 0.00 ATOM 452 CD1 TYR A 60 6.222 43.469 30.460 1.00 0.00 ATOM 453 CD2 TYR A 60 6.304 42.215 32.487 1.00 0.00 ATOM 454 CE1 TYR A 60 5.673 44.543 31.135 1.00 0.00 ATOM 455 CE2 TYR A 60 5.755 43.278 33.181 1.00 0.00 ATOM 456 CZ TYR A 60 5.441 44.447 32.491 1.00 0.00 ATOM 457 OH TYR A 60 4.894 45.517 33.165 1.00 0.00 ATOM 458 O TYR A 60 8.486 38.603 30.408 1.00 0.00 ATOM 459 C TYR A 60 9.059 39.620 30.013 1.00 0.00 ATOM 460 N ARG A 61 10.000 39.614 29.057 1.00 0.00 ATOM 461 CA ARG A 61 10.456 38.369 28.427 1.00 0.00 ATOM 462 CB ARG A 61 11.605 38.594 27.485 1.00 0.00 ATOM 463 CG ARG A 61 12.840 39.353 27.878 1.00 0.00 ATOM 464 CD ARG A 61 13.898 39.271 26.754 1.00 0.00 ATOM 465 NE ARG A 61 13.931 40.433 25.902 1.00 0.00 ATOM 466 CZ ARG A 61 13.864 41.276 24.913 1.00 0.00 ATOM 467 NH1 ARG A 61 13.383 40.942 23.707 1.00 0.00 ATOM 468 NH2 ARG A 61 14.249 42.576 24.991 1.00 0.00 ATOM 469 O ARG A 61 10.850 36.163 29.266 1.00 0.00 ATOM 470 C ARG A 61 11.009 37.366 29.457 1.00 0.00 ATOM 471 N ASN A 62 11.643 37.869 30.620 1.00 0.00 ATOM 472 CA ASN A 62 12.047 36.929 31.670 1.00 0.00 ATOM 473 CB ASN A 62 12.521 37.684 32.913 1.00 0.00 ATOM 474 CG ASN A 62 13.884 38.322 32.723 1.00 0.00 ATOM 475 ND2 ASN A 62 14.227 39.253 33.604 1.00 0.00 ATOM 476 OD1 ASN A 62 14.616 37.977 31.794 1.00 0.00 ATOM 477 O ASN A 62 11.166 34.850 32.433 1.00 0.00 ATOM 478 C ASN A 62 10.900 35.996 32.075 1.00 0.00 ATOM 479 N LEU A 63 9.658 36.477 32.006 1.00 0.00 ATOM 480 CA LEU A 63 8.500 35.714 32.468 1.00 0.00 ATOM 481 CB LEU A 63 7.289 36.644 32.617 1.00 0.00 ATOM 482 CG LEU A 63 7.434 37.740 33.682 1.00 0.00 ATOM 483 CD1 LEU A 63 6.219 38.658 33.653 1.00 0.00 ATOM 484 CD2 LEU A 63 7.596 37.101 35.052 1.00 0.00 ATOM 485 O LEU A 63 7.391 33.646 32.005 1.00 0.00 ATOM 486 C LEU A 63 8.134 34.533 31.582 1.00 0.00 ATOM 487 N TRP A 64 8.673 34.510 30.360 1.00 0.00 ATOM 488 CA TRP A 64 8.437 33.387 29.451 1.00 0.00 ATOM 489 CB TRP A 64 9.275 33.544 28.179 1.00 0.00 ATOM 490 CG TRP A 64 8.815 34.658 27.290 1.00 0.00 ATOM 491 CD1 TRP A 64 7.648 35.360 27.396 1.00 0.00 ATOM 492 CD2 TRP A 64 9.512 35.201 26.163 1.00 0.00 ATOM 493 CE2 TRP A 64 8.710 36.230 25.631 1.00 0.00 ATOM 494 CE3 TRP A 64 10.737 34.919 25.552 1.00 0.00 ATOM 495 NE1 TRP A 64 7.575 36.307 26.401 1.00 0.00 ATOM 496 CZ2 TRP A 64 9.090 36.976 24.517 1.00 0.00 ATOM 497 CZ3 TRP A 64 11.110 35.661 24.447 1.00 0.00 ATOM 498 CH2 TRP A 64 10.296 36.676 23.939 1.00 0.00 ATOM 499 O TRP A 64 8.355 31.010 29.664 1.00 0.00 ATOM 500 C TRP A 64 8.912 32.055 29.998 1.00 0.00 ATOM 501 N GLU A 65 10.006 32.190 30.860 1.00 0.00 ATOM 502 CA GLU A 65 10.507 30.970 31.480 1.00 0.00 ATOM 503 CB GLU A 65 11.747 31.315 32.308 1.00 0.00 ATOM 504 CG GLU A 65 12.983 31.628 31.478 1.00 0.00 ATOM 505 CD GLU A 65 14.163 32.055 32.326 1.00 0.00 ATOM 506 OE1 GLU A 65 13.995 32.178 33.559 1.00 0.00 ATOM 507 OE2 GLU A 65 15.255 32.270 31.760 1.00 0.00 ATOM 508 O GLU A 65 9.443 29.107 32.553 1.00 0.00 ATOM 509 C GLU A 65 9.464 30.325 32.397 1.00 0.00 ATOM 510 N HIS A 66 8.637 31.155 32.973 1.00 0.00 ATOM 511 CA HIS A 66 7.569 30.669 33.849 1.00 0.00 ATOM 512 CB HIS A 66 6.830 31.846 34.496 1.00 0.00 ATOM 513 CG HIS A 66 7.647 32.583 35.513 1.00 0.00 ATOM 514 CD2 HIS A 66 8.884 32.345 36.005 1.00 0.00 ATOM 515 ND1 HIS A 66 7.195 33.722 36.144 1.00 0.00 ATOM 516 CE1 HIS A 66 8.121 34.154 36.983 1.00 0.00 ATOM 517 NE2 HIS A 66 9.156 33.335 36.917 1.00 0.00 ATOM 518 O HIS A 66 5.805 29.058 33.788 1.00 0.00 ATOM 519 C HIS A 66 6.570 29.763 33.139 1.00 0.00 ATOM 520 N TYR A 67 6.581 29.791 31.806 1.00 0.00 ATOM 521 CA TYR A 67 5.641 29.018 31.002 1.00 0.00 ATOM 522 CB TYR A 67 4.486 30.044 30.451 1.00 0.00 ATOM 523 CG TYR A 67 3.664 30.604 31.598 1.00 0.00 ATOM 524 CD1 TYR A 67 3.067 29.866 32.631 1.00 0.00 ATOM 525 CD2 TYR A 67 3.490 31.984 31.609 1.00 0.00 ATOM 526 CE1 TYR A 67 2.284 30.483 33.615 1.00 0.00 ATOM 527 CE2 TYR A 67 2.722 32.609 32.593 1.00 0.00 ATOM 528 CZ TYR A 67 2.140 31.877 33.618 1.00 0.00 ATOM 529 OH TYR A 67 1.332 32.573 34.516 1.00 0.00 ATOM 530 O TYR A 67 5.553 27.136 29.540 1.00 0.00 ATOM 531 C TYR A 67 6.253 27.815 30.286 1.00 0.00 ATOM 532 N TYR A 68 7.549 27.567 30.480 1.00 0.00 ATOM 533 CA TYR A 68 8.216 26.449 29.808 1.00 0.00 ATOM 534 CB TYR A 68 9.734 26.562 29.963 1.00 0.00 ATOM 535 CG TYR A 68 10.343 27.723 29.210 1.00 0.00 ATOM 536 CD1 TYR A 68 9.630 28.382 28.220 1.00 0.00 ATOM 537 CD2 TYR A 68 11.628 28.158 29.494 1.00 0.00 ATOM 538 CE1 TYR A 68 10.182 29.444 27.527 1.00 0.00 ATOM 539 CE2 TYR A 68 12.190 29.220 28.811 1.00 0.00 ATOM 540 CZ TYR A 68 11.464 29.859 27.828 1.00 0.00 ATOM 541 OH TYR A 68 12.019 30.916 27.144 1.00 0.00 ATOM 542 O TYR A 68 7.700 24.116 29.567 1.00 0.00 ATOM 543 C TYR A 68 7.784 25.077 30.331 1.00 0.00 ATOM 544 N LYS A 69 7.508 24.992 31.631 1.00 0.00 ATOM 545 CA LYS A 69 7.215 23.719 32.280 1.00 0.00 ATOM 546 CB LYS A 69 6.936 23.923 33.769 1.00 0.00 ATOM 547 CG LYS A 69 6.672 22.639 34.543 1.00 0.00 ATOM 548 CD LYS A 69 6.489 22.915 36.028 1.00 0.00 ATOM 549 CE LYS A 69 6.183 21.637 36.794 1.00 0.00 ATOM 550 NZ LYS A 69 6.076 21.880 38.259 1.00 0.00 ATOM 551 O LYS A 69 4.935 23.601 31.550 1.00 0.00 ATOM 552 C LYS A 69 6.024 23.029 31.624 1.00 0.00 ATOM 553 N GLU A 70 6.332 21.728 31.190 1.00 0.00 ATOM 554 CA GLU A 70 5.285 20.868 30.619 1.00 0.00 ATOM 555 CB GLU A 70 4.130 20.700 31.611 1.00 0.00 ATOM 556 CG GLU A 70 4.520 20.038 32.924 1.00 0.00 ATOM 557 CD GLU A 70 3.334 19.888 33.834 1.00 0.00 ATOM 558 OE1 GLU A 70 2.265 20.303 33.459 1.00 0.00 ATOM 559 OE2 GLU A 70 3.471 19.257 34.857 1.00 0.00 ATOM 560 O GLU A 70 3.701 20.831 28.811 1.00 0.00 ATOM 561 C GLU A 70 4.708 21.354 29.291 1.00 0.00 ATOM 562 N GLY A 71 5.372 22.378 28.632 1.00 0.00 ATOM 563 CA GLY A 71 4.926 22.756 27.306 1.00 0.00 ATOM 564 O GLY A 71 6.404 21.239 26.189 1.00 0.00 ATOM 565 C GLY A 71 5.276 21.723 26.241 1.00 0.00 ATOM 566 N GLN A 72 4.305 21.380 25.407 1.00 0.00 ATOM 567 CA GLN A 72 4.410 20.361 24.369 1.00 0.00 ATOM 568 CB GLN A 72 3.159 19.438 24.363 1.00 0.00 ATOM 569 CG GLN A 72 3.079 18.616 25.673 1.00 0.00 ATOM 570 CD GLN A 72 1.877 17.702 25.637 1.00 0.00 ATOM 571 OE1 GLN A 72 1.719 16.856 24.758 1.00 0.00 ATOM 572 NE2 GLN A 72 0.967 17.868 26.611 1.00 0.00 ATOM 573 O GLN A 72 5.479 20.401 22.246 1.00 0.00 ATOM 574 C GLN A 72 4.750 20.986 23.033 1.00 0.00 ATOM 575 N ALA A 73 4.220 22.182 22.793 1.00 0.00 ATOM 576 CA ALA A 73 4.432 22.882 21.544 1.00 0.00 ATOM 577 CB ALA A 73 3.219 22.726 20.659 1.00 0.00 ATOM 578 O ALA A 73 4.195 24.980 22.656 1.00 0.00 ATOM 579 C ALA A 73 4.728 24.340 21.753 1.00 0.00 ATOM 580 N ILE A 74 5.606 24.855 20.906 1.00 0.00 ATOM 581 CA ILE A 74 5.963 26.265 20.887 1.00 0.00 ATOM 582 CB ILE A 74 7.495 26.465 20.901 1.00 0.00 ATOM 583 CG1 ILE A 74 8.060 26.125 22.279 1.00 0.00 ATOM 584 CG2 ILE A 74 7.837 27.902 20.512 1.00 0.00 ATOM 585 CD1 ILE A 74 9.573 26.104 22.316 1.00 0.00 ATOM 586 O ILE A 74 5.496 26.196 18.550 1.00 0.00 ATOM 587 C ILE A 74 5.433 26.838 19.589 1.00 0.00 ATOM 588 N ILE A 75 4.826 28.026 19.695 1.00 0.00 ATOM 589 CA ILE A 75 4.426 28.820 18.542 1.00 0.00 ATOM 590 CB ILE A 75 2.935 29.205 18.491 1.00 0.00 ATOM 591 CG1 ILE A 75 2.065 27.948 18.409 1.00 0.00 ATOM 592 CG2 ILE A 75 2.650 30.069 17.275 1.00 0.00 ATOM 593 CD1 ILE A 75 0.584 28.220 18.572 1.00 0.00 ATOM 594 O ILE A 75 5.368 30.660 19.767 1.00 0.00 ATOM 595 C ILE A 75 5.357 30.018 18.717 1.00 0.00 ATOM 596 N PHE A 76 6.186 30.274 17.713 1.00 0.00 ATOM 597 CA PHE A 76 7.066 31.429 17.723 1.00 0.00 ATOM 598 CB PHE A 76 8.525 31.005 17.547 1.00 0.00 ATOM 599 CG PHE A 76 9.512 32.112 17.784 1.00 0.00 ATOM 600 CD1 PHE A 76 9.591 32.738 19.020 1.00 0.00 ATOM 601 CD2 PHE A 76 10.359 32.534 16.772 1.00 0.00 ATOM 602 CE1 PHE A 76 10.497 33.758 19.240 1.00 0.00 ATOM 603 CE2 PHE A 76 11.268 33.554 16.988 1.00 0.00 ATOM 604 CZ PHE A 76 11.335 34.165 18.223 1.00 0.00 ATOM 605 O PHE A 76 6.595 31.960 15.411 1.00 0.00 ATOM 606 C PHE A 76 6.580 32.335 16.594 1.00 0.00 ATOM 607 N VAL A 77 6.072 33.502 16.986 1.00 0.00 ATOM 608 CA VAL A 77 5.494 34.446 16.039 1.00 0.00 ATOM 609 CB VAL A 77 4.182 35.109 16.553 1.00 0.00 ATOM 610 CG1 VAL A 77 3.697 36.168 15.563 1.00 0.00 ATOM 611 CG2 VAL A 77 3.116 34.047 16.750 1.00 0.00 ATOM 612 O VAL A 77 7.053 36.234 16.608 1.00 0.00 ATOM 613 C VAL A 77 6.488 35.579 15.700 1.00 0.00 ATOM 614 N ILE A 78 6.738 35.739 14.423 1.00 0.00 ATOM 615 CA ILE A 78 7.694 36.749 13.927 1.00 0.00 ATOM 616 CB ILE A 78 8.775 36.064 13.072 1.00 0.00 ATOM 617 CG1 ILE A 78 9.513 35.016 13.939 1.00 0.00 ATOM 618 CG2 ILE A 78 9.762 37.101 12.539 1.00 0.00 ATOM 619 CD1 ILE A 78 10.505 34.174 13.191 1.00 0.00 ATOM 620 O ILE A 78 6.447 37.416 12.024 1.00 0.00 ATOM 621 C ILE A 78 7.007 37.775 13.043 1.00 0.00 ATOM 622 N ASP A 79 7.222 39.056 13.347 1.00 0.00 ATOM 623 CA ASP A 79 6.819 40.115 12.436 1.00 0.00 ATOM 624 CB ASP A 79 6.884 41.477 13.132 1.00 0.00 ATOM 625 CG ASP A 79 6.547 42.660 12.236 1.00 0.00 ATOM 626 OD1 ASP A 79 6.397 42.460 11.052 1.00 0.00 ATOM 627 OD2 ASP A 79 6.290 43.720 12.754 1.00 0.00 ATOM 628 O ASP A 79 8.891 40.452 11.248 1.00 0.00 ATOM 629 C ASP A 79 7.723 40.062 11.188 1.00 0.00 ATOM 630 N SER A 80 7.211 39.505 10.098 1.00 0.00 ATOM 631 CA SER A 80 8.007 39.316 8.894 1.00 0.00 ATOM 632 CB SER A 80 7.192 38.537 7.870 1.00 0.00 ATOM 633 OG SER A 80 6.012 39.262 7.508 1.00 0.00 ATOM 634 O SER A 80 9.339 40.673 7.491 1.00 0.00 ATOM 635 C SER A 80 8.436 40.682 8.275 1.00 0.00 ATOM 636 N SER A 81 7.753 41.710 8.586 1.00 0.00 ATOM 637 CA SER A 81 8.142 43.026 8.037 1.00 0.00 ATOM 638 CB SER A 81 6.933 43.939 7.973 1.00 0.00 ATOM 639 OG SER A 81 6.577 44.432 9.237 1.00 0.00 ATOM 640 O SER A 81 9.899 44.629 8.302 1.00 0.00 ATOM 641 C SER A 81 9.256 43.719 8.821 1.00 0.00 ATOM 642 N ASP A 82 9.497 43.257 10.064 1.00 0.00 ATOM 643 CA ASP A 82 10.553 43.856 10.881 1.00 0.00 ATOM 644 CB ASP A 82 10.212 43.726 12.368 1.00 0.00 ATOM 645 CG ASP A 82 11.045 44.610 13.284 1.00 0.00 ATOM 646 OD1 ASP A 82 12.000 45.183 12.817 1.00 0.00 ATOM 647 OD2 ASP A 82 10.632 44.833 14.397 1.00 0.00 ATOM 648 O ASP A 82 12.450 42.504 11.494 1.00 0.00 ATOM 649 C ASP A 82 11.957 43.295 10.684 1.00 0.00 ATOM 650 N ARG A 83 12.619 43.755 9.628 1.00 0.00 ATOM 651 CA ARG A 83 13.982 43.319 9.344 1.00 0.00 ATOM 652 CB ARG A 83 14.461 43.790 7.978 1.00 0.00 ATOM 653 CG ARG A 83 13.806 43.092 6.795 1.00 0.00 ATOM 654 CD ARG A 83 14.230 43.611 5.469 1.00 0.00 ATOM 655 NE ARG A 83 13.590 42.960 4.336 1.00 0.00 ATOM 656 CZ ARG A 83 13.758 43.325 3.051 1.00 0.00 ATOM 657 NH1 ARG A 83 14.513 44.351 2.730 1.00 0.00 ATOM 658 NH2 ARG A 83 13.124 42.632 2.118 1.00 0.00 ATOM 659 O ARG A 83 15.954 43.057 10.688 1.00 0.00 ATOM 660 C ARG A 83 14.992 43.767 10.405 1.00 0.00 ATOM 661 N LEU A 84 14.743 44.926 11.011 1.00 0.00 ATOM 662 CA LEU A 84 15.644 45.454 12.035 1.00 0.00 ATOM 663 CB LEU A 84 15.186 46.851 12.466 1.00 0.00 ATOM 664 CG LEU A 84 15.346 47.948 11.403 1.00 0.00 ATOM 665 CD1 LEU A 84 14.710 49.244 11.889 1.00 0.00 ATOM 666 CD2 LEU A 84 16.823 48.153 11.102 1.00 0.00 ATOM 667 O LEU A 84 16.777 44.509 13.932 1.00 0.00 ATOM 668 C LEU A 84 15.738 44.558 13.268 1.00 0.00 ATOM 669 N ARG A 85 14.655 43.837 13.563 1.00 0.00 ATOM 670 CA ARG A 85 14.634 43.007 14.761 1.00 0.00 ATOM 671 CB ARG A 85 13.477 43.351 15.685 1.00 0.00 ATOM 672 CG ARG A 85 13.540 44.743 16.298 1.00 0.00 ATOM 673 CD ARG A 85 12.647 44.935 17.470 1.00 0.00 ATOM 674 NE ARG A 85 11.230 44.790 17.177 1.00 0.00 ATOM 675 CZ ARG A 85 10.249 44.836 18.100 1.00 0.00 ATOM 676 NH1 ARG A 85 10.527 44.985 19.376 1.00 0.00 ATOM 677 NH2 ARG A 85 8.998 44.703 17.688 1.00 0.00 ATOM 678 O ARG A 85 14.403 40.722 15.398 1.00 0.00 ATOM 679 C ARG A 85 14.617 41.498 14.485 1.00 0.00 ATOM 680 N MET A 86 14.820 41.079 13.242 1.00 0.00 ATOM 681 CA MET A 86 14.732 39.646 12.948 1.00 0.00 ATOM 682 CB MET A 86 14.732 39.317 11.509 1.00 0.00 ATOM 683 CG MET A 86 13.454 39.658 10.835 1.00 0.00 ATOM 684 SD MET A 86 12.054 38.679 11.356 1.00 0.00 ATOM 685 CE MET A 86 12.171 37.318 10.228 1.00 0.00 ATOM 686 O MET A 86 15.675 37.762 14.140 1.00 0.00 ATOM 687 C MET A 86 15.884 38.868 13.634 1.00 0.00 ATOM 688 N VAL A 87 17.076 39.462 13.701 1.00 0.00 ATOM 689 CA VAL A 87 18.183 38.815 14.412 1.00 0.00 ATOM 690 CB VAL A 87 19.506 39.583 14.221 1.00 0.00 ATOM 691 CG1 VAL A 87 20.590 39.007 15.118 1.00 0.00 ATOM 692 CG2 VAL A 87 19.941 39.541 12.764 1.00 0.00 ATOM 693 O VAL A 87 18.240 37.654 16.528 1.00 0.00 ATOM 694 C VAL A 87 17.901 38.673 15.908 1.00 0.00 ATOM 695 N VAL A 88 17.330 39.717 16.505 1.00 0.00 ATOM 696 CA VAL A 88 16.870 39.637 17.888 1.00 0.00 ATOM 697 CB VAL A 88 16.229 40.959 18.350 1.00 0.00 ATOM 698 CG1 VAL A 88 15.591 40.791 19.721 1.00 0.00 ATOM 699 CG2 VAL A 88 17.265 42.071 18.379 1.00 0.00 ATOM 700 O VAL A 88 15.905 37.762 19.039 1.00 0.00 ATOM 701 C VAL A 88 15.885 38.480 18.039 1.00 0.00 ATOM 702 N ALA A 89 14.985 38.330 17.071 1.00 0.00 ATOM 703 CA ALA A 89 14.006 37.243 17.147 1.00 0.00 ATOM 704 CB ALA A 89 12.970 37.347 16.077 1.00 0.00 ATOM 705 O ALA A 89 14.436 34.989 17.873 1.00 0.00 ATOM 706 C ALA A 89 14.779 35.924 17.148 1.00 0.00 ATOM 707 N LYS A 90 15.850 35.850 16.337 1.00 0.00 ATOM 708 CA LYS A 90 16.659 34.639 16.269 1.00 0.00 ATOM 709 CB LYS A 90 17.755 34.804 15.215 1.00 0.00 ATOM 710 CG LYS A 90 18.677 33.600 15.072 1.00 0.00 ATOM 711 CD LYS A 90 19.669 33.796 13.936 1.00 0.00 ATOM 712 CE LYS A 90 20.652 34.917 14.246 1.00 0.00 ATOM 713 NZ LYS A 90 21.651 35.098 13.157 1.00 0.00 ATOM 714 O LYS A 90 17.420 33.227 18.047 1.00 0.00 ATOM 715 C LYS A 90 17.319 34.375 17.619 1.00 0.00 ATOM 716 N GLU A 91 17.791 35.430 18.273 1.00 0.00 ATOM 717 CA GLU A 91 18.464 35.263 19.560 1.00 0.00 ATOM 718 CB GLU A 91 19.048 36.596 20.040 1.00 0.00 ATOM 719 CG GLU A 91 20.259 37.071 19.253 1.00 0.00 ATOM 720 CD GLU A 91 20.693 38.440 19.694 1.00 0.00 ATOM 721 OE1 GLU A 91 20.028 39.018 20.520 1.00 0.00 ATOM 722 OE2 GLU A 91 21.750 38.867 19.290 1.00 0.00 ATOM 723 O GLU A 91 17.856 33.830 21.396 1.00 0.00 ATOM 724 C GLU A 91 17.502 34.735 20.629 1.00 0.00 ATOM 725 N GLU A 92 16.309 35.299 20.664 1.00 0.00 ATOM 726 CA GLU A 92 15.307 34.835 21.620 1.00 0.00 ATOM 727 CB GLU A 92 14.087 35.760 21.591 1.00 0.00 ATOM 728 CG GLU A 92 14.362 37.178 22.069 1.00 0.00 ATOM 729 CD GLU A 92 14.621 37.215 23.550 1.00 0.00 ATOM 730 OE1 GLU A 92 14.416 36.214 24.194 1.00 0.00 ATOM 731 OE2 GLU A 92 15.132 38.205 24.019 1.00 0.00 ATOM 732 O GLU A 92 14.797 32.581 22.290 1.00 0.00 ATOM 733 C GLU A 92 14.897 33.385 21.358 1.00 0.00 ATOM 734 N LEU A 93 14.726 33.045 20.081 1.00 0.00 ATOM 735 CA LEU A 93 14.410 31.674 19.693 1.00 0.00 ATOM 736 CB LEU A 93 14.180 31.571 18.180 1.00 0.00 ATOM 737 CG LEU A 93 14.039 30.143 17.638 1.00 0.00 ATOM 738 CD1 LEU A 93 12.734 29.528 18.120 1.00 0.00 ATOM 739 CD2 LEU A 93 14.092 30.170 16.117 1.00 0.00 ATOM 740 O LEU A 93 15.213 29.669 20.746 1.00 0.00 ATOM 741 C LEU A 93 15.498 30.692 20.127 1.00 0.00 ATOM 742 N ASP A 94 16.741 31.009 19.810 1.00 0.00 ATOM 743 CA ASP A 94 17.840 30.103 20.141 1.00 0.00 ATOM 744 CB ASP A 94 19.151 30.609 19.534 1.00 0.00 ATOM 745 CG ASP A 94 19.205 30.424 18.030 1.00 0.00 ATOM 746 OD1 ASP A 94 18.348 29.691 17.490 1.00 0.00 ATOM 747 OD2 ASP A 94 20.103 31.010 17.391 1.00 0.00 ATOM 748 O ASP A 94 18.359 28.920 22.146 1.00 0.00 ATOM 749 C ASP A 94 18.001 29.981 21.651 1.00 0.00 ATOM 750 N THR A 95 17.723 31.077 22.392 1.00 0.00 ATOM 751 CA THR A 95 17.819 31.043 23.849 1.00 0.00 ATOM 752 CB THR A 95 17.558 32.437 24.450 1.00 0.00 ATOM 753 CG2 THR A 95 17.606 32.380 25.969 1.00 0.00 ATOM 754 OG1 THR A 95 18.550 33.357 23.976 1.00 0.00 ATOM 755 O THR A 95 17.101 29.203 25.243 1.00 0.00 ATOM 756 C THR A 95 16.791 30.036 24.386 1.00 0.00 ATOM 757 N LEU A 96 15.593 30.085 23.825 1.00 0.00 ATOM 758 CA LEU A 96 14.541 29.166 24.243 1.00 0.00 ATOM 759 CB LEU A 96 13.203 29.591 23.597 1.00 0.00 ATOM 760 CG LEU A 96 12.083 28.552 23.690 1.00 0.00 ATOM 761 CD1 LEU A 96 11.721 28.261 25.141 1.00 0.00 ATOM 762 CD2 LEU A 96 10.862 29.116 22.956 1.00 0.00 ATOM 763 O LEU A 96 14.756 26.815 24.693 1.00 0.00 ATOM 764 C LEU A 96 14.909 27.724 23.876 1.00 0.00 ATOM 765 N LEU A 97 15.386 27.510 22.649 1.00 0.00 ATOM 766 CA LEU A 97 15.709 26.166 22.169 1.00 0.00 ATOM 767 CB LEU A 97 15.585 26.303 20.554 1.00 0.00 ATOM 768 CG LEU A 97 15.802 24.975 19.803 1.00 0.00 ATOM 769 CD1 LEU A 97 14.706 23.985 20.043 1.00 0.00 ATOM 770 CD2 LEU A 97 15.925 25.271 18.293 1.00 0.00 ATOM 771 O LEU A 97 16.911 24.287 23.053 1.00 0.00 ATOM 772 C LEU A 97 16.838 25.513 22.970 1.00 0.00 ATOM 773 N ASN A 98 17.704 26.333 23.560 1.00 0.00 ATOM 774 CA ASN A 98 18.771 25.838 24.435 1.00 0.00 ATOM 775 CB ASN A 98 19.676 26.989 24.879 1.00 0.00 ATOM 776 CG ASN A 98 20.531 27.526 23.749 1.00 0.00 ATOM 777 ND2 ASN A 98 21.018 28.751 23.907 1.00 0.00 ATOM 778 OD1 ASN A 98 20.750 26.847 22.745 1.00 0.00 ATOM 779 O ASN A 98 18.965 24.266 26.246 1.00 0.00 ATOM 780 C ASN A 98 18.255 25.106 25.681 1.00 0.00 ATOM 781 N HIS A 99 17.028 25.421 26.098 1.00 0.00 ATOM 782 CA HIS A 99 16.451 24.871 27.320 1.00 0.00 ATOM 783 CB HIS A 99 15.258 25.732 27.885 1.00 0.00 ATOM 784 CG HIS A 99 15.550 27.187 28.097 1.00 0.00 ATOM 785 CD2 HIS A 99 15.350 28.264 27.306 1.00 0.00 ATOM 786 ND1 HIS A 99 16.102 27.645 29.276 1.00 0.00 ATOM 787 CE1 HIS A 99 16.245 28.963 29.199 1.00 0.00 ATOM 788 NE2 HIS A 99 15.811 29.352 28.010 1.00 0.00 ATOM 789 O HIS A 99 15.460 22.912 26.348 1.00 0.00 ATOM 790 C HIS A 99 16.178 23.377 27.234 1.00 0.00 ATOM 791 N PRO A 100 16.753 22.626 28.174 1.00 0.00 ATOM 792 CA PRO A 100 16.542 21.181 28.243 1.00 0.00 ATOM 793 CB PRO A 100 17.271 20.762 29.521 1.00 0.00 ATOM 794 CG PRO A 100 18.382 21.749 29.659 1.00 0.00 ATOM 795 CD PRO A 100 17.812 23.075 29.240 1.00 0.00 ATOM 796 O PRO A 100 14.651 19.746 27.888 1.00 0.00 ATOM 797 C PRO A 100 15.064 20.803 28.368 1.00 0.00 ATOM 798 N ASP A 101 14.266 21.666 29.014 1.00 0.00 ATOM 799 CA ASP A 101 12.840 21.384 29.182 1.00 0.00 ATOM 800 CB ASP A 101 12.205 22.525 29.981 1.00 0.00 ATOM 801 CG ASP A 101 12.585 22.489 31.449 1.00 0.00 ATOM 802 OD1 ASP A 101 13.141 21.464 31.893 1.00 0.00 ATOM 803 OD2 ASP A 101 12.327 23.488 32.155 1.00 0.00 ATOM 804 O ASP A 101 11.068 20.623 27.752 1.00 0.00 ATOM 805 C ASP A 101 12.105 21.287 27.853 1.00 0.00 ATOM 806 N ILE A 102 12.648 21.945 26.837 1.00 0.00 ATOM 807 CA ILE A 102 11.987 22.007 25.535 1.00 0.00 ATOM 808 CB ILE A 102 11.870 23.466 25.014 1.00 0.00 ATOM 809 CG1 ILE A 102 13.259 24.086 24.849 1.00 0.00 ATOM 810 CG2 ILE A 102 11.009 24.287 25.963 1.00 0.00 ATOM 811 CD1 ILE A 102 13.238 25.444 24.174 1.00 0.00 ATOM 812 O ILE A 102 12.244 21.152 23.318 1.00 0.00 ATOM 813 C ILE A 102 12.610 21.095 24.486 1.00 0.00 ATOM 814 N LYS A 103 13.509 20.210 24.907 1.00 0.00 ATOM 815 CA LYS A 103 14.293 19.407 23.952 1.00 0.00 ATOM 816 CB LYS A 103 15.433 18.679 24.667 1.00 0.00 ATOM 817 CG LYS A 103 16.333 17.866 23.748 1.00 0.00 ATOM 818 CD LYS A 103 17.494 17.249 24.514 1.00 0.00 ATOM 819 CE LYS A 103 18.391 16.431 23.598 1.00 0.00 ATOM 820 NZ LYS A 103 19.532 15.821 24.335 1.00 0.00 ATOM 821 O LYS A 103 13.922 17.944 22.083 1.00 0.00 ATOM 822 C LYS A 103 13.519 18.346 23.176 1.00 0.00 ATOM 823 N HIS A 104 12.481 17.810 23.784 1.00 0.00 ATOM 824 CA HIS A 104 11.670 16.784 23.162 1.00 0.00 ATOM 825 CB HIS A 104 10.582 16.320 24.164 1.00 0.00 ATOM 826 CG HIS A 104 11.115 15.841 25.475 1.00 0.00 ATOM 827 CD2 HIS A 104 12.081 14.940 25.770 1.00 0.00 ATOM 828 ND1 HIS A 104 10.628 16.290 26.684 1.00 0.00 ATOM 829 CE1 HIS A 104 11.273 15.688 27.667 1.00 0.00 ATOM 830 NE2 HIS A 104 12.160 14.864 27.140 1.00 0.00 ATOM 831 O HIS A 104 10.680 18.332 21.606 1.00 0.00 ATOM 832 C HIS A 104 11.071 17.190 21.815 1.00 0.00 ATOM 833 N ARG A 105 11.052 16.198 20.831 1.00 0.00 ATOM 834 CA ARG A 105 10.415 16.416 19.530 1.00 0.00 ATOM 835 CB ARG A 105 10.412 15.076 18.728 1.00 0.00 ATOM 836 CG ARG A 105 11.803 14.642 18.277 1.00 0.00 ATOM 837 CD ARG A 105 11.772 13.476 17.310 1.00 0.00 ATOM 838 NE ARG A 105 13.134 13.038 17.006 1.00 0.00 ATOM 839 CZ ARG A 105 13.972 13.682 16.196 1.00 0.00 ATOM 840 NH1 ARG A 105 13.601 14.795 15.576 1.00 0.00 ATOM 841 NH2 ARG A 105 15.209 13.224 16.032 1.00 0.00 ATOM 842 O ARG A 105 8.507 17.754 18.956 1.00 0.00 ATOM 843 C ARG A 105 8.989 16.925 19.722 1.00 0.00 ATOM 844 N ARG A 106 8.331 16.439 20.775 1.00 0.00 ATOM 845 CA ARG A 106 6.960 16.870 20.992 1.00 0.00 ATOM 846 CB ARG A 106 6.362 15.967 22.083 1.00 0.00 ATOM 847 CG ARG A 106 6.248 14.488 21.700 1.00 0.00 ATOM 848 CD ARG A 106 5.684 13.665 22.860 1.00 0.00 ATOM 849 NE ARG A 106 4.385 14.190 23.261 1.00 0.00 ATOM 850 CZ ARG A 106 3.245 13.935 22.625 1.00 0.00 ATOM 851 NH1 ARG A 106 3.235 13.133 21.567 1.00 0.00 ATOM 852 NH2 ARG A 106 2.128 14.534 23.010 1.00 0.00 ATOM 853 O ARG A 106 5.713 18.872 21.438 1.00 0.00 ATOM 854 C ARG A 106 6.845 18.312 21.427 1.00 0.00 ATOM 855 N ILE A 107 7.981 18.881 21.989 1.00 0.00 ATOM 856 CA ILE A 107 7.895 20.311 22.307 1.00 0.00 ATOM 857 CB ILE A 107 8.901 20.605 23.455 1.00 0.00 ATOM 858 CG1 ILE A 107 8.356 20.061 24.777 1.00 0.00 ATOM 859 CG2 ILE A 107 9.151 22.110 23.566 1.00 0.00 ATOM 860 CD1 ILE A 107 9.338 20.161 25.938 1.00 0.00 ATOM 861 O ILE A 107 7.910 22.251 20.750 1.00 0.00 ATOM 862 C ILE A 107 8.298 21.126 21.080 1.00 0.00 ATOM 863 N PRO A 108 7.384 20.295 19.819 1.00 0.00 ATOM 864 CA PRO A 108 7.460 20.675 18.415 1.00 0.00 ATOM 865 CB PRO A 108 6.363 19.829 17.738 1.00 0.00 ATOM 866 CG PRO A 108 5.299 19.756 18.844 1.00 0.00 ATOM 867 CD PRO A 108 6.072 19.719 20.171 1.00 0.00 ATOM 868 O PRO A 108 6.601 22.828 19.038 1.00 0.00 ATOM 869 C PRO A 108 7.300 22.184 18.256 1.00 0.00 ATOM 870 N ILE A 109 7.957 22.735 17.239 1.00 0.00 ATOM 871 CA ILE A 109 8.049 24.179 17.074 1.00 0.00 ATOM 872 CB ILE A 109 9.518 24.649 17.026 1.00 0.00 ATOM 873 CG1 ILE A 109 10.237 24.325 18.328 1.00 0.00 ATOM 874 CG2 ILE A 109 9.561 26.152 16.801 1.00 0.00 ATOM 875 CD1 ILE A 109 11.721 24.468 18.281 1.00 0.00 ATOM 876 O ILE A 109 7.820 24.325 14.688 1.00 0.00 ATOM 877 C ILE A 109 7.374 24.643 15.790 1.00 0.00 ATOM 878 N LEU A 110 6.315 25.486 15.928 1.00 0.00 ATOM 879 CA LEU A 110 5.606 26.065 14.795 1.00 0.00 ATOM 880 CB LEU A 110 4.103 25.880 15.015 1.00 0.00 ATOM 881 CG LEU A 110 3.185 26.463 13.937 1.00 0.00 ATOM 882 CD1 LEU A 110 3.393 25.751 12.609 1.00 0.00 ATOM 883 CD2 LEU A 110 1.724 26.309 14.337 1.00 0.00 ATOM 884 O LEU A 110 5.707 28.271 15.719 1.00 0.00 ATOM 885 C LEU A 110 5.975 27.539 14.764 1.00 0.00 ATOM 886 N PHE A 111 6.604 27.968 13.671 1.00 0.00 ATOM 887 CA PHE A 111 6.892 29.381 13.481 1.00 0.00 ATOM 888 CB PHE A 111 8.257 29.557 12.810 1.00 0.00 ATOM 889 CG PHE A 111 9.396 28.967 13.591 1.00 0.00 ATOM 890 CD1 PHE A 111 9.847 27.684 13.325 1.00 0.00 ATOM 891 CD2 PHE A 111 10.019 29.696 14.594 1.00 0.00 ATOM 892 CE1 PHE A 111 10.896 27.141 14.043 1.00 0.00 ATOM 893 CE2 PHE A 111 11.069 29.156 15.312 1.00 0.00 ATOM 894 CZ PHE A 111 11.506 27.875 15.037 1.00 0.00 ATOM 895 O PHE A 111 5.337 29.385 11.660 1.00 0.00 ATOM 896 C PHE A 111 5.758 29.979 12.653 1.00 0.00 ATOM 897 N PHE A 112 5.223 31.119 13.103 1.00 0.00 ATOM 898 CA PHE A 112 4.270 31.881 12.290 1.00 0.00 ATOM 899 CB PHE A 112 3.034 32.352 13.062 1.00 0.00 ATOM 900 CG PHE A 112 1.962 31.299 13.303 1.00 0.00 ATOM 901 CD1 PHE A 112 1.474 30.502 12.272 1.00 0.00 ATOM 902 CD2 PHE A 112 1.329 31.188 14.532 1.00 0.00 ATOM 903 CE1 PHE A 112 0.425 29.611 12.487 1.00 0.00 ATOM 904 CE2 PHE A 112 0.303 30.285 14.734 1.00 0.00 ATOM 905 CZ PHE A 112 -0.146 29.516 13.711 1.00 0.00 ATOM 906 O PHE A 112 5.292 34.027 12.550 1.00 0.00 ATOM 907 C PHE A 112 5.035 33.098 11.776 1.00 0.00 ATOM 908 N ALA A 113 5.270 33.165 10.471 1.00 0.00 ATOM 909 CA ALA A 113 5.916 34.281 9.811 1.00 0.00 ATOM 910 CB ALA A 113 6.626 33.814 8.550 1.00 0.00 ATOM 911 O ALA A 113 4.100 35.099 8.465 1.00 0.00 ATOM 912 C ALA A 113 4.771 35.231 9.491 1.00 0.00 ATOM 913 N ASN A 114 4.468 36.071 10.443 1.00 0.00 ATOM 914 CA ASN A 114 3.246 36.869 10.447 1.00 0.00 ATOM 915 CB ASN A 114 2.748 37.115 11.860 1.00 0.00 ATOM 916 CG ASN A 114 1.290 37.484 11.933 1.00 0.00 ATOM 917 ND2 ASN A 114 0.984 38.397 12.817 1.00 0.00 ATOM 918 OD1 ASN A 114 0.468 36.998 11.148 1.00 0.00 ATOM 919 O ASN A 114 4.479 38.766 9.594 1.00 0.00 ATOM 920 C ASN A 114 3.373 38.225 9.747 1.00 0.00 ATOM 921 N LYS A 115 2.223 38.822 9.445 1.00 0.00 ATOM 922 CA LYS A 115 2.139 40.137 8.796 1.00 0.00 ATOM 923 CB LYS A 115 2.296 41.269 9.811 1.00 0.00 ATOM 924 CG LYS A 115 1.228 41.368 10.862 1.00 0.00 ATOM 925 CD LYS A 115 1.698 42.581 11.583 1.00 0.00 ATOM 926 CE LYS A 115 0.893 42.804 12.818 1.00 0.00 ATOM 927 NZ LYS A 115 1.522 43.910 13.519 1.00 0.00 ATOM 928 O LYS A 115 3.072 40.969 6.729 1.00 0.00 ATOM 929 C LYS A 115 2.523 40.031 7.313 1.00 0.00 ATOM 930 N MET A 116 2.181 38.941 6.670 1.00 0.00 ATOM 931 CA MET A 116 2.524 38.780 5.254 1.00 0.00 ATOM 932 CB MET A 116 2.511 37.234 4.928 1.00 0.00 ATOM 933 CG MET A 116 3.545 36.393 5.663 1.00 0.00 ATOM 934 SD MET A 116 5.246 36.811 5.291 1.00 0.00 ATOM 935 CE MET A 116 5.327 36.461 3.534 1.00 0.00 ATOM 936 O MET A 116 2.101 39.899 3.168 1.00 0.00 ATOM 937 C MET A 116 1.756 39.750 4.349 1.00 0.00 ATOM 938 N ASP A 117 0.803 40.380 5.143 1.00 0.00 ATOM 939 CA ASP A 117 0.020 41.428 4.474 1.00 0.00 ATOM 940 CB ASP A 117 -1.236 41.770 5.279 1.00 0.00 ATOM 941 CG ASP A 117 -0.935 42.155 6.723 1.00 0.00 ATOM 942 OD1 ASP A 117 -0.301 41.357 7.430 1.00 0.00 ATOM 943 OD2 ASP A 117 -1.305 43.224 7.250 1.00 0.00 ATOM 944 O ASP A 117 0.437 43.478 3.296 1.00 0.00 ATOM 945 C ASP A 117 0.815 42.699 4.181 1.00 0.00 ATOM 946 N LEU A 118 1.890 42.930 4.937 1.00 0.00 ATOM 947 CA LEU A 118 2.674 44.153 4.763 1.00 0.00 ATOM 948 CB LEU A 118 3.517 44.427 6.014 1.00 0.00 ATOM 949 CG LEU A 118 2.718 44.725 7.289 1.00 0.00 ATOM 950 CD1 LEU A 118 3.660 44.870 8.476 1.00 0.00 ATOM 951 CD2 LEU A 118 1.900 45.995 7.091 1.00 0.00 ATOM 952 O LEU A 118 4.081 42.910 3.263 1.00 0.00 ATOM 953 C LEU A 118 3.554 44.000 3.521 1.00 0.00 ATOM 954 N ARG A 119 3.622 45.036 2.688 1.00 0.00 ATOM 955 CA ARG A 119 4.259 44.898 1.369 1.00 0.00 ATOM 956 CB ARG A 119 3.855 46.248 0.581 1.00 0.00 ATOM 957 CG ARG A 119 4.377 46.320 -0.850 1.00 0.00 ATOM 958 CD ARG A 119 3.799 47.507 -1.619 1.00 0.00 ATOM 959 NE ARG A 119 3.957 48.778 -0.915 1.00 0.00 ATOM 960 CZ ARG A 119 2.978 49.408 -0.268 1.00 0.00 ATOM 961 NH1 ARG A 119 1.755 48.894 -0.234 1.00 0.00 ATOM 962 NH2 ARG A 119 3.219 50.562 0.340 1.00 0.00 ATOM 963 O ARG A 119 6.206 43.800 0.533 1.00 0.00 ATOM 964 C ARG A 119 5.728 44.497 1.419 1.00 0.00 ATOM 965 N ASP A 120 6.438 44.916 2.470 1.00 0.00 ATOM 966 CA ASP A 120 7.872 44.634 2.609 1.00 0.00 ATOM 967 CB ASP A 120 8.604 45.835 3.212 1.00 0.00 ATOM 968 CG ASP A 120 8.125 46.166 4.610 1.00 0.00 ATOM 969 OD1 ASP A 120 7.192 45.492 5.096 1.00 0.00 ATOM 970 OD2 ASP A 120 8.683 47.102 5.223 1.00 0.00 ATOM 971 O ASP A 120 9.323 43.152 3.813 1.00 0.00 ATOM 972 C ASP A 120 8.170 43.396 3.456 1.00 0.00 ATOM 973 N ALA A 121 7.138 42.644 3.810 1.00 0.00 ATOM 974 CA ALA A 121 7.340 41.443 4.623 1.00 0.00 ATOM 975 CB ALA A 121 6.017 40.736 4.869 1.00 0.00 ATOM 976 O ALA A 121 8.104 40.166 2.722 1.00 0.00 ATOM 977 C ALA A 121 8.259 40.440 3.920 1.00 0.00 ATOM 978 N VAL A 122 9.198 39.615 4.905 1.00 0.00 ATOM 979 CA VAL A 122 9.984 38.455 4.519 1.00 0.00 ATOM 980 CB VAL A 122 11.192 38.254 5.453 1.00 0.00 ATOM 981 CG1 VAL A 122 12.004 39.535 5.557 1.00 0.00 ATOM 982 CG2 VAL A 122 10.730 37.803 6.831 1.00 0.00 ATOM 983 O VAL A 122 8.230 37.111 5.425 1.00 0.00 ATOM 984 C VAL A 122 9.075 37.251 4.524 1.00 0.00 ATOM 985 N THR A 123 9.225 36.378 3.535 1.00 0.00 ATOM 986 CA THR A 123 8.355 35.201 3.474 1.00 0.00 ATOM 987 CB THR A 123 8.230 34.653 2.040 1.00 0.00 ATOM 988 CG2 THR A 123 7.693 35.726 1.105 1.00 0.00 ATOM 989 OG1 THR A 123 9.517 34.230 1.574 1.00 0.00 ATOM 990 O THR A 123 9.836 34.258 5.106 1.00 0.00 ATOM 991 C THR A 123 8.866 34.071 4.368 1.00 0.00 ATOM 992 N SER A 124 8.154 32.944 4.369 1.00 0.00 ATOM 993 CA SER A 124 8.505 31.848 5.251 1.00 0.00 ATOM 994 CB SER A 124 7.479 30.735 5.138 1.00 0.00 ATOM 995 OG SER A 124 7.466 30.157 3.862 1.00 0.00 ATOM 996 O SER A 124 10.653 31.007 5.846 1.00 0.00 ATOM 997 C SER A 124 9.901 31.328 4.930 1.00 0.00 ATOM 998 N VAL A 125 10.284 31.208 3.657 1.00 0.00 ATOM 999 CA VAL A 125 11.635 30.745 3.313 1.00 0.00 ATOM 1000 CB VAL A 125 11.810 30.600 1.789 1.00 0.00 ATOM 1001 CG1 VAL A 125 13.264 30.302 1.446 1.00 0.00 ATOM 1002 CG2 VAL A 125 10.902 29.507 1.250 1.00 0.00 ATOM 1003 O VAL A 125 13.721 31.225 4.396 1.00 0.00 ATOM 1004 C VAL A 125 12.713 31.684 3.847 1.00 0.00 ATOM 1005 N LYS A 126 12.497 32.949 3.689 1.00 0.00 ATOM 1006 CA LYS A 126 13.419 33.947 4.213 1.00 0.00 ATOM 1007 CB LYS A 126 12.999 35.349 3.766 1.00 0.00 ATOM 1008 CG LYS A 126 13.193 35.620 2.280 1.00 0.00 ATOM 1009 CD LYS A 126 12.754 37.030 1.913 1.00 0.00 ATOM 1010 CE LYS A 126 12.914 37.291 0.423 1.00 0.00 ATOM 1011 NZ LYS A 126 12.465 38.657 0.045 1.00 0.00 ATOM 1012 O LYS A 126 14.562 33.975 6.323 1.00 0.00 ATOM 1013 C LYS A 126 13.491 33.877 5.734 1.00 0.00 ATOM 1014 N VAL A 127 12.356 33.739 6.402 1.00 0.00 ATOM 1015 CA VAL A 127 12.329 33.620 7.840 1.00 0.00 ATOM 1016 CB VAL A 127 10.887 33.567 8.378 1.00 0.00 ATOM 1017 CG1 VAL A 127 10.883 33.284 9.872 1.00 0.00 ATOM 1018 CG2 VAL A 127 10.177 34.891 8.136 1.00 0.00 ATOM 1019 O VAL A 127 13.644 32.346 9.401 1.00 0.00 ATOM 1020 C VAL A 127 13.036 32.344 8.329 1.00 0.00 ATOM 1021 N SER A 128 12.921 31.259 7.560 1.00 0.00 ATOM 1022 CA SER A 128 13.627 30.020 7.882 1.00 0.00 ATOM 1023 CB SER A 128 13.312 28.959 6.845 1.00 0.00 ATOM 1024 OG SER A 128 11.970 28.561 6.889 1.00 0.00 ATOM 1025 O SER A 128 15.784 29.840 8.929 1.00 0.00 ATOM 1026 C SER A 128 15.129 30.265 7.972 1.00 0.00 ATOM 1027 N GLN A 129 15.657 30.984 6.986 1.00 0.00 ATOM 1028 CA GLN A 129 17.073 31.339 6.983 1.00 0.00 ATOM 1029 CB GLN A 129 17.435 32.086 5.698 1.00 0.00 ATOM 1030 CG GLN A 129 17.426 31.219 4.451 1.00 0.00 ATOM 1031 CD GLN A 129 17.658 32.017 3.183 1.00 0.00 ATOM 1032 OE1 GLN A 129 17.751 33.244 3.221 1.00 0.00 ATOM 1033 NE2 GLN A 129 17.754 31.322 2.056 1.00 0.00 ATOM 1034 O GLN A 129 18.460 32.039 8.811 1.00 0.00 ATOM 1035 C GLN A 129 17.454 32.258 8.144 1.00 0.00 ATOM 1036 N LEU A 130 16.645 33.286 8.364 1.00 0.00 ATOM 1037 CA LEU A 130 16.917 34.235 9.439 1.00 0.00 ATOM 1038 CB LEU A 130 15.877 35.384 9.357 1.00 0.00 ATOM 1039 CG LEU A 130 16.042 36.351 8.204 1.00 0.00 ATOM 1040 CD1 LEU A 130 14.804 37.257 8.211 1.00 0.00 ATOM 1041 CD2 LEU A 130 17.328 37.161 8.299 1.00 0.00 ATOM 1042 O LEU A 130 17.744 33.939 11.671 1.00 0.00 ATOM 1043 C LEU A 130 16.906 33.606 10.832 1.00 0.00 ATOM 1044 N LEU A 131 16.040 32.627 11.056 1.00 0.00 ATOM 1045 CA LEU A 131 15.940 31.965 12.354 1.00 0.00 ATOM 1046 CB LEU A 131 14.515 31.451 12.565 1.00 0.00 ATOM 1047 CG LEU A 131 13.407 32.508 12.583 1.00 0.00 ATOM 1048 CD1 LEU A 131 12.041 31.850 12.697 1.00 0.00 ATOM 1049 CD2 LEU A 131 13.584 33.451 13.762 1.00 0.00 ATOM 1050 O LEU A 131 16.962 30.181 13.563 1.00 0.00 ATOM 1051 C LEU A 131 16.893 30.781 12.500 1.00 0.00 ATOM 1052 N CYS A 132 17.594 30.369 11.364 1.00 0.00 ATOM 1053 CA CYS A 132 18.486 29.216 11.358 1.00 0.00 ATOM 1054 CB CYS A 132 19.560 29.364 12.437 1.00 0.00 ATOM 1055 SG CYS A 132 20.556 30.869 12.299 1.00 0.00 ATOM 1056 O CYS A 132 18.390 27.017 12.302 1.00 0.00 ATOM 1057 C CYS A 132 17.803 27.894 11.669 1.00 0.00 ATOM 1058 N LEU A 133 16.582 27.721 11.176 1.00 0.00 ATOM 1059 CA LEU A 133 15.778 26.538 11.511 1.00 0.00 ATOM 1060 CB LEU A 133 14.332 26.725 11.037 1.00 0.00 ATOM 1061 CG LEU A 133 13.357 27.246 12.100 1.00 0.00 ATOM 1062 CD1 LEU A 133 14.129 27.909 13.236 1.00 0.00 ATOM 1063 CD2 LEU A 133 12.384 28.227 11.464 1.00 0.00 ATOM 1064 O LEU A 133 16.188 24.182 11.523 1.00 0.00 ATOM 1065 C LEU A 133 16.329 25.246 10.922 1.00 0.00 ATOM 1066 N GLU A 134 17.002 25.375 9.704 1.00 0.00 ATOM 1067 CA GLU A 134 17.513 24.179 9.028 1.00 0.00 ATOM 1068 CB GLU A 134 17.973 24.522 7.610 1.00 0.00 ATOM 1069 CG GLU A 134 16.844 24.877 6.651 1.00 0.00 ATOM 1070 CD GLU A 134 17.377 25.283 5.305 1.00 0.00 ATOM 1071 OE1 GLU A 134 18.574 25.322 5.149 1.00 0.00 ATOM 1072 OE2 GLU A 134 16.590 25.447 4.403 1.00 0.00 ATOM 1073 O GLU A 134 18.856 22.289 9.644 1.00 0.00 ATOM 1074 C GLU A 134 18.619 23.486 9.815 1.00 0.00 ATOM 1075 N ASN A 135 19.256 24.219 10.698 1.00 0.00 ATOM 1076 CA ASN A 135 20.340 23.674 11.516 1.00 0.00 ATOM 1077 CB ASN A 135 21.310 24.761 11.942 1.00 0.00 ATOM 1078 CG ASN A 135 22.133 25.316 10.813 1.00 0.00 ATOM 1079 ND2 ASN A 135 22.646 26.502 11.017 1.00 0.00 ATOM 1080 OD1 ASN A 135 22.362 24.646 9.797 1.00 0.00 ATOM 1081 O ASN A 135 20.678 22.336 13.469 1.00 0.00 ATOM 1082 C ASN A 135 19.862 22.918 12.754 1.00 0.00 ATOM 1083 N ILE A 136 18.557 22.975 13.032 1.00 0.00 ATOM 1084 CA ILE A 136 18.009 22.339 14.230 1.00 0.00 ATOM 1085 CB ILE A 136 16.535 22.791 14.519 1.00 0.00 ATOM 1086 CG1 ILE A 136 16.382 24.324 14.497 1.00 0.00 ATOM 1087 CG2 ILE A 136 16.091 22.228 15.863 1.00 0.00 ATOM 1088 CD1 ILE A 136 14.926 24.788 14.569 1.00 0.00 ATOM 1089 O ILE A 136 17.949 20.251 13.044 1.00 0.00 ATOM 1090 C ILE A 136 18.129 20.811 14.121 1.00 0.00 ATOM 1091 N LYS A 137 18.401 20.175 15.235 1.00 0.00 ATOM 1092 CA LYS A 137 18.563 18.722 15.262 1.00 0.00 ATOM 1093 CB LYS A 137 19.954 18.294 15.734 1.00 0.00 ATOM 1094 CG LYS A 137 21.071 18.633 14.760 1.00 0.00 ATOM 1095 CD LYS A 137 22.415 18.145 15.271 1.00 0.00 ATOM 1096 CE LYS A 137 23.533 18.485 14.298 1.00 0.00 ATOM 1097 NZ LYS A 137 24.857 18.004 14.780 1.00 0.00 ATOM 1098 O LYS A 137 17.321 18.611 17.307 1.00 0.00 ATOM 1099 C LYS A 137 17.578 18.081 16.228 1.00 0.00 ATOM 1100 N ASP A 138 16.891 16.906 15.880 1.00 0.00 ATOM 1101 CA ASP A 138 15.918 16.209 16.708 1.00 0.00 ATOM 1102 CB ASP A 138 16.620 15.660 17.954 1.00 0.00 ATOM 1103 CG ASP A 138 17.696 14.623 17.663 1.00 0.00 ATOM 1104 OD1 ASP A 138 17.418 13.691 16.945 1.00 0.00 ATOM 1105 OD2 ASP A 138 18.826 14.849 18.026 1.00 0.00 ATOM 1106 O ASP A 138 14.261 16.990 18.268 1.00 0.00 ATOM 1107 C ASP A 138 14.743 17.092 17.140 1.00 0.00 ATOM 1108 N LYS A 139 14.334 17.946 16.250 1.00 0.00 ATOM 1109 CA LYS A 139 13.210 18.844 16.511 1.00 0.00 ATOM 1110 CB LYS A 139 13.686 20.290 16.671 1.00 0.00 ATOM 1111 CG LYS A 139 14.594 20.523 17.872 1.00 0.00 ATOM 1112 CD LYS A 139 13.833 20.368 19.178 1.00 0.00 ATOM 1113 CE LYS A 139 14.727 20.644 20.378 1.00 0.00 ATOM 1114 NZ LYS A 139 15.769 19.596 20.550 1.00 0.00 ATOM 1115 O LYS A 139 12.472 19.192 14.266 1.00 0.00 ATOM 1116 C LYS A 139 12.164 18.882 15.417 1.00 0.00 ATOM 1117 N PRO A 140 10.882 18.510 15.821 1.00 0.00 ATOM 1118 CA PRO A 140 9.816 18.586 14.825 1.00 0.00 ATOM 1119 CB PRO A 140 8.760 17.618 15.376 1.00 0.00 ATOM 1120 CG PRO A 140 9.418 16.805 16.384 1.00 0.00 ATOM 1121 CD PRO A 140 10.572 17.598 16.908 1.00 0.00 ATOM 1122 O PRO A 140 9.150 20.711 15.692 1.00 0.00 ATOM 1123 C PRO A 140 9.451 20.059 14.692 1.00 0.00 ATOM 1124 N TRP A 141 9.571 20.607 13.486 1.00 0.00 ATOM 1125 CA TRP A 141 9.305 22.036 13.286 1.00 0.00 ATOM 1126 CB TRP A 141 10.597 22.851 13.395 1.00 0.00 ATOM 1127 CG TRP A 141 11.544 22.621 12.258 1.00 0.00 ATOM 1128 CD1 TRP A 141 12.491 21.645 12.170 1.00 0.00 ATOM 1129 CD2 TRP A 141 11.640 23.383 11.047 1.00 0.00 ATOM 1130 CE2 TRP A 141 12.664 22.810 10.274 1.00 0.00 ATOM 1131 CE3 TRP A 141 10.956 24.496 10.545 1.00 0.00 ATOM 1132 NE1 TRP A 141 13.171 21.750 10.982 1.00 0.00 ATOM 1133 CZ2 TRP A 141 13.024 23.308 9.032 1.00 0.00 ATOM 1134 CZ3 TRP A 141 11.315 24.992 9.298 1.00 0.00 ATOM 1135 CH2 TRP A 141 12.318 24.417 8.562 1.00 0.00 ATOM 1136 O TRP A 141 8.990 21.713 10.930 1.00 0.00 ATOM 1137 C TRP A 141 8.685 22.356 11.936 1.00 0.00 ATOM 1138 N HIS A 142 7.893 23.421 11.912 1.00 0.00 ATOM 1139 CA HIS A 142 7.238 23.843 10.682 1.00 0.00 ATOM 1140 CB HIS A 142 5.855 23.185 10.593 1.00 0.00 ATOM 1141 CG HIS A 142 5.905 21.714 10.321 1.00 0.00 ATOM 1142 CD2 HIS A 142 5.735 20.649 11.139 1.00 0.00 ATOM 1143 ND1 HIS A 142 6.158 21.199 9.067 1.00 0.00 ATOM 1144 CE1 HIS A 142 6.141 19.878 9.127 1.00 0.00 ATOM 1145 NE2 HIS A 142 5.887 19.521 10.373 1.00 0.00 ATOM 1146 O HIS A 142 7.149 25.951 11.763 1.00 0.00 ATOM 1147 C HIS A 142 7.168 25.351 10.699 1.00 0.00 ATOM 1148 N ILE A 143 7.303 25.967 9.531 1.00 0.00 ATOM 1149 CA ILE A 143 7.115 27.408 9.440 1.00 0.00 ATOM 1150 CB ILE A 143 8.386 28.123 8.948 1.00 0.00 ATOM 1151 CG1 ILE A 143 8.166 29.637 8.905 1.00 0.00 ATOM 1152 CG2 ILE A 143 8.796 27.601 7.580 1.00 0.00 ATOM 1153 CD1 ILE A 143 9.437 30.436 8.739 1.00 0.00 ATOM 1154 O ILE A 143 5.851 27.163 7.410 1.00 0.00 ATOM 1155 C ILE A 143 5.952 27.717 8.506 1.00 0.00 ATOM 1156 N CYS A 144 5.049 28.568 8.951 1.00 0.00 ATOM 1157 CA CYS A 144 3.882 28.918 8.155 1.00 0.00 ATOM 1158 CB CYS A 144 2.627 28.370 8.839 1.00 0.00 ATOM 1159 SG CYS A 144 1.073 28.738 8.008 1.00 0.00 ATOM 1160 O CYS A 144 3.875 31.170 8.984 1.00 0.00 ATOM 1161 C CYS A 144 3.787 30.424 8.002 1.00 0.00 ATOM 1162 N ALA A 145 3.727 30.867 6.750 1.00 0.00 ATOM 1163 CA ALA A 145 3.486 32.276 6.439 1.00 0.00 ATOM 1164 CB ALA A 145 3.683 32.534 4.954 1.00 0.00 ATOM 1165 O ALA A 145 1.168 31.766 6.703 1.00 0.00 ATOM 1166 C ALA A 145 2.055 32.589 6.869 1.00 0.00 ATOM 1167 N SER A 146 1.853 33.707 7.546 1.00 0.00 ATOM 1168 CA SER A 146 0.520 34.089 8.004 1.00 0.00 ATOM 1169 CB SER A 146 0.380 33.922 9.504 1.00 0.00 ATOM 1170 OG SER A 146 0.543 32.589 9.902 1.00 0.00 ATOM 1171 O SER A 146 1.076 36.346 7.428 1.00 0.00 ATOM 1172 C SER A 146 0.189 35.517 7.630 1.00 0.00 ATOM 1173 N ASP A 147 -1.106 35.795 7.536 1.00 0.00 ATOM 1174 CA ASP A 147 -1.588 37.166 7.479 1.00 0.00 ATOM 1175 CB ASP A 147 -1.936 37.548 6.038 1.00 0.00 ATOM 1176 CG ASP A 147 -2.434 38.978 5.869 1.00 0.00 ATOM 1177 OD1 ASP A 147 -2.477 39.690 6.845 1.00 0.00 ATOM 1178 OD2 ASP A 147 -2.618 39.392 4.751 1.00 0.00 ATOM 1179 O ASP A 147 -3.821 36.735 8.135 1.00 0.00 ATOM 1180 C ASP A 147 -2.782 37.326 8.386 1.00 0.00 ATOM 1181 N ALA A 148 -2.090 37.582 10.006 1.00 0.00 ATOM 1182 CA ALA A 148 -2.914 37.413 11.198 1.00 0.00 ATOM 1183 CB ALA A 148 -2.191 37.950 12.424 1.00 0.00 ATOM 1184 O ALA A 148 -5.283 37.658 11.598 1.00 0.00 ATOM 1185 C ALA A 148 -4.260 38.151 11.099 1.00 0.00 ATOM 1186 N ILE A 149 -4.243 39.347 10.512 1.00 0.00 ATOM 1187 CA ILE A 149 -5.463 40.153 10.412 1.00 0.00 ATOM 1188 CB ILE A 149 -5.076 41.586 9.908 1.00 0.00 ATOM 1189 CG1 ILE A 149 -4.096 42.242 10.885 1.00 0.00 ATOM 1190 CG2 ILE A 149 -6.327 42.440 9.756 1.00 0.00 ATOM 1191 CD1 ILE A 149 -4.633 42.381 12.299 1.00 0.00 ATOM 1192 O ILE A 149 -7.715 39.548 9.854 1.00 0.00 ATOM 1193 C ILE A 149 -6.523 39.506 9.530 1.00 0.00 ATOM 1194 N LYS A 150 -6.103 38.897 8.432 1.00 0.00 ATOM 1195 CA LYS A 150 -7.036 38.205 7.553 1.00 0.00 ATOM 1196 CB LYS A 150 -6.497 38.221 6.119 1.00 0.00 ATOM 1197 CG LYS A 150 -6.312 39.614 5.540 1.00 0.00 ATOM 1198 CD LYS A 150 -7.646 40.315 5.349 1.00 0.00 ATOM 1199 CE LYS A 150 -7.466 41.669 4.681 1.00 0.00 ATOM 1200 NZ LYS A 150 -8.765 42.372 4.490 1.00 0.00 ATOM 1201 O LYS A 150 -8.209 36.104 7.460 1.00 0.00 ATOM 1202 C LYS A 150 -7.283 36.751 7.958 1.00 0.00 ATOM 1203 N GLY A 151 -6.450 36.205 8.829 1.00 0.00 ATOM 1204 CA GLY A 151 -6.609 34.817 9.244 1.00 0.00 ATOM 1205 O GLY A 151 -6.503 32.698 8.189 1.00 0.00 ATOM 1206 C GLY A 151 -6.133 33.867 8.164 1.00 0.00 ATOM 1207 N GLU A 152 -5.263 34.314 7.268 1.00 0.00 ATOM 1208 CA GLU A 152 -4.775 33.424 6.204 1.00 0.00 ATOM 1209 CB GLU A 152 -4.390 34.199 4.941 1.00 0.00 ATOM 1210 CG GLU A 152 -5.570 34.769 4.167 1.00 0.00 ATOM 1211 CD GLU A 152 -5.117 35.457 2.910 1.00 0.00 ATOM 1212 OE1 GLU A 152 -3.931 35.557 2.703 1.00 0.00 ATOM 1213 OE2 GLU A 152 -5.953 35.780 2.101 1.00 0.00 ATOM 1214 O GLU A 152 -2.571 33.326 7.181 1.00 0.00 ATOM 1215 C GLU A 152 -3.539 32.698 6.738 1.00 0.00 ATOM 1216 N GLY A 153 -3.580 31.373 6.665 1.00 0.00 ATOM 1217 CA GLY A 153 -2.443 30.536 7.024 1.00 0.00 ATOM 1218 O GLY A 153 -1.770 29.073 8.794 1.00 0.00 ATOM 1219 C GLY A 153 -2.503 29.991 8.443 1.00 0.00 ATOM 1220 N LEU A 154 -3.399 30.526 9.264 1.00 0.00 ATOM 1221 CA LEU A 154 -3.435 30.143 10.673 1.00 0.00 ATOM 1222 CB LEU A 154 -4.358 31.064 11.454 1.00 0.00 ATOM 1223 CG LEU A 154 -3.953 32.536 11.514 1.00 0.00 ATOM 1224 CD1 LEU A 154 -4.918 33.342 12.352 1.00 0.00 ATOM 1225 CD2 LEU A 154 -2.528 32.615 12.047 1.00 0.00 ATOM 1226 O LEU A 154 -3.234 27.950 11.626 1.00 0.00 ATOM 1227 C LEU A 154 -3.884 28.698 10.891 1.00 0.00 ATOM 1228 N GLN A 155 -4.959 28.301 10.264 1.00 0.00 ATOM 1229 CA GLN A 155 -5.440 26.931 10.432 1.00 0.00 ATOM 1230 CB GLN A 155 -6.695 26.677 9.622 1.00 0.00 ATOM 1231 CG GLN A 155 -7.591 27.910 9.448 1.00 0.00 ATOM 1232 CD GLN A 155 -7.308 28.670 8.154 1.00 0.00 ATOM 1233 OE1 GLN A 155 -6.426 29.532 8.102 1.00 0.00 ATOM 1234 NE2 GLN A 155 -8.060 28.348 7.105 1.00 0.00 ATOM 1235 O GLN A 155 -4.337 24.815 10.461 1.00 0.00 ATOM 1236 C GLN A 155 -4.457 25.901 9.897 1.00 0.00 ATOM 1237 N GLU A 156 -3.757 26.246 8.815 1.00 0.00 ATOM 1238 CA GLU A 156 -2.729 25.366 8.268 1.00 0.00 ATOM 1239 CB GLU A 156 -2.159 25.912 6.978 1.00 0.00 ATOM 1240 CG GLU A 156 -3.248 25.929 5.916 1.00 0.00 ATOM 1241 CD GLU A 156 -2.956 26.714 4.660 1.00 0.00 ATOM 1242 OE1 GLU A 156 -2.154 27.662 4.732 1.00 0.00 ATOM 1243 OE2 GLU A 156 -3.543 26.394 3.600 1.00 0.00 ATOM 1244 O GLU A 156 -1.089 24.064 9.437 1.00 0.00 ATOM 1245 C GLU A 156 -1.601 25.179 9.274 1.00 0.00 ATOM 1246 N GLY A 157 -1.226 26.243 9.972 1.00 0.00 ATOM 1247 CA GLY A 157 -0.261 26.088 11.048 1.00 0.00 ATOM 1248 O GLY A 157 -0.049 24.292 12.629 1.00 0.00 ATOM 1249 C GLY A 157 -0.777 25.149 12.122 1.00 0.00 ATOM 1250 N VAL A 158 -2.067 25.291 12.464 1.00 0.00 ATOM 1251 CA VAL A 158 -2.683 24.453 13.482 1.00 0.00 ATOM 1252 CB VAL A 158 -4.088 24.969 13.848 1.00 0.00 ATOM 1253 CG1 VAL A 158 -4.802 23.972 14.747 1.00 0.00 ATOM 1254 CG2 VAL A 158 -3.997 26.327 14.526 1.00 0.00 ATOM 1255 O VAL A 158 -2.666 22.089 13.872 1.00 0.00 ATOM 1256 C VAL A 158 -2.766 22.991 13.040 1.00 0.00 ATOM 1257 N ASP A 159 -2.987 22.755 11.739 1.00 0.00 ATOM 1258 CA ASP A 159 -3.056 21.386 11.239 1.00 0.00 ATOM 1259 CB ASP A 159 -3.284 21.394 9.727 1.00 0.00 ATOM 1260 CG ASP A 159 -4.705 21.766 9.355 1.00 0.00 ATOM 1261 OD1 ASP A 159 -5.571 21.785 10.256 1.00 0.00 ATOM 1262 OD2 ASP A 159 -4.956 22.038 8.162 1.00 0.00 ATOM 1263 O ASP A 159 -1.676 19.571 12.026 1.00 0.00 ATOM 1264 C ASP A 159 -1.726 20.684 11.503 1.00 0.00 ATOM 1265 N TRP A 160 -0.580 21.361 11.192 1.00 0.00 ATOM 1266 CA TRP A 160 0.745 20.779 11.414 1.00 0.00 ATOM 1267 CB TRP A 160 1.832 21.699 10.856 1.00 0.00 ATOM 1268 CG TRP A 160 2.061 21.529 9.385 1.00 0.00 ATOM 1269 CD1 TRP A 160 1.976 20.369 8.674 1.00 0.00 ATOM 1270 CD2 TRP A 160 2.412 22.551 8.444 1.00 0.00 ATOM 1271 CE2 TRP A 160 2.522 21.938 7.181 1.00 0.00 ATOM 1272 CE3 TRP A 160 2.643 23.929 8.547 1.00 0.00 ATOM 1273 NE1 TRP A 160 2.252 20.603 7.350 1.00 0.00 ATOM 1274 CZ2 TRP A 160 2.852 22.646 6.039 1.00 0.00 ATOM 1275 CZ3 TRP A 160 2.973 24.639 7.399 1.00 0.00 ATOM 1276 CH2 TRP A 160 3.074 24.017 6.181 1.00 0.00 ATOM 1277 O TRP A 160 1.558 19.565 13.344 1.00 0.00 ATOM 1278 C TRP A 160 1.047 20.608 12.902 1.00 0.00 ATOM 1279 N LEU A 161 0.629 21.577 13.756 1.00 0.00 ATOM 1280 CA LEU A 161 0.808 21.473 15.209 1.00 0.00 ATOM 1281 CB LEU A 161 0.375 22.804 15.855 1.00 0.00 ATOM 1282 CG LEU A 161 0.815 23.126 17.288 1.00 0.00 ATOM 1283 CD1 LEU A 161 2.325 23.006 17.451 1.00 0.00 ATOM 1284 CD2 LEU A 161 0.346 24.536 17.624 1.00 0.00 ATOM 1285 O LEU A 161 0.435 19.575 16.635 1.00 0.00 ATOM 1286 C LEU A 161 -0.054 20.352 15.814 1.00 0.00 ATOM 1287 N GLN A 162 -1.318 20.262 15.392 1.00 0.00 ATOM 1288 CA GLN A 162 -2.192 19.194 15.886 1.00 0.00 ATOM 1289 CB GLN A 162 -3.606 19.355 15.349 1.00 0.00 ATOM 1290 CG GLN A 162 -4.473 18.125 15.568 1.00 0.00 ATOM 1291 CD GLN A 162 -5.907 18.296 15.093 1.00 0.00 ATOM 1292 OE1 GLN A 162 -6.690 17.343 15.109 1.00 0.00 ATOM 1293 NE2 GLN A 162 -6.257 19.502 14.677 1.00 0.00 ATOM 1294 O GLN A 162 -1.644 16.895 16.307 1.00 0.00 ATOM 1295 C GLN A 162 -1.621 17.830 15.504 1.00 0.00 ATOM 1296 N ASP A 163 -1.083 17.700 14.262 1.00 0.00 ATOM 1297 CA ASP A 163 -0.498 16.442 13.808 1.00 0.00 ATOM 1298 CB ASP A 163 -0.129 16.505 12.326 1.00 0.00 ATOM 1299 CG ASP A 163 -1.318 16.452 11.377 1.00 0.00 ATOM 1300 OD1 ASP A 163 -2.397 16.139 11.825 1.00 0.00 ATOM 1301 OD2 ASP A 163 -1.178 16.875 10.256 1.00 0.00 ATOM 1302 O ASP A 163 0.925 14.869 14.932 1.00 0.00 ATOM 1303 C ASP A 163 0.723 16.047 14.631 1.00 0.00 ATOM 1304 N GLN A 164 1.533 17.044 15.025 1.00 0.00 ATOM 1305 CA GLN A 164 2.731 16.786 15.816 1.00 0.00 ATOM 1306 CB GLN A 164 3.551 18.068 15.988 1.00 0.00 ATOM 1307 CG GLN A 164 4.217 18.556 14.714 1.00 0.00 ATOM 1308 CD GLN A 164 5.207 17.552 14.155 1.00 0.00 ATOM 1309 OE1 GLN A 164 6.013 16.978 14.892 1.00 0.00 ATOM 1310 NE2 GLN A 164 5.154 17.334 12.846 1.00 0.00 ATOM 1311 O GLN A 164 3.124 15.414 17.740 1.00 0.00 ATOM 1312 C GLN A 164 2.385 16.244 17.196 1.00 0.00 ATOM 1313 N ILE A 165 1.288 16.776 17.761 1.00 0.00 ATOM 1314 CA ILE A 165 1.068 16.508 19.175 1.00 0.00 ATOM 1315 CB ILE A 165 0.346 17.679 19.865 1.00 0.00 ATOM 1316 CG1 ILE A 165 1.137 18.977 19.676 1.00 0.00 ATOM 1317 CG2 ILE A 165 0.149 17.385 21.344 1.00 0.00 ATOM 1318 CD1 ILE A 165 2.538 18.927 20.242 1.00 0.00 ATOM 1319 O ILE A 165 0.388 14.670 20.549 1.00 0.00 ATOM 1320 C ILE A 165 0.260 15.246 19.460 1.00 0.00 ENDMDL EXPDTA 2h57A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h57A ATOM 1 N GLU A 1 -6.687 19.205 26.384 1.00 0.00 ATOM 2 CA GLU A 1 -5.538 18.305 26.705 1.00 0.00 ATOM 3 CB GLU A 1 -5.775 16.933 26.072 1.00 0.00 ATOM 4 O GLU A 1 -3.126 18.174 26.604 1.00 0.00 ATOM 5 C GLU A 1 -4.139 18.817 26.266 1.00 0.00 ATOM 6 N VAL A 2 -4.063 19.947 25.531 1.00 0.00 ATOM 7 CA VAL A 2 -2.766 20.392 24.922 1.00 0.00 ATOM 8 CB VAL A 2 -2.785 20.271 23.392 1.00 0.00 ATOM 9 CG1 VAL A 2 -1.359 20.463 22.829 1.00 0.00 ATOM 10 CG2 VAL A 2 -3.367 18.922 22.980 1.00 0.00 ATOM 11 O VAL A 2 -2.919 22.808 24.860 1.00 0.00 ATOM 12 C VAL A 2 -2.313 21.820 25.288 1.00 0.00 ATOM 13 N HIS A 3 -1.227 21.887 26.058 1.00 0.00 ATOM 14 CA HIS A 3 -0.670 23.139 26.564 1.00 0.00 ATOM 15 CB HIS A 3 -0.101 22.945 27.970 1.00 0.00 ATOM 16 CG HIS A 3 -1.144 22.665 29.017 1.00 0.00 ATOM 17 CD2 HIS A 3 -1.425 23.292 30.189 1.00 0.00 ATOM 18 ND1 HIS A 3 -2.033 21.612 28.921 1.00 0.00 ATOM 19 CE1 HIS A 3 -2.825 21.614 29.980 1.00 0.00 ATOM 20 NE2 HIS A 3 -2.476 22.620 30.765 1.00 0.00 ATOM 21 O HIS A 3 1.457 23.084 25.407 1.00 0.00 ATOM 22 C HIS A 3 0.425 23.714 25.635 1.00 0.00 ATOM 23 N VAL A 4 0.163 24.925 25.144 1.00 0.00 ATOM 24 CA VAL A 4 0.990 25.616 24.137 1.00 0.00 ATOM 25 CB VAL A 4 0.137 25.961 22.879 1.00 0.00 ATOM 26 CG1 VAL A 4 0.881 26.902 21.936 1.00 0.00 ATOM 27 CG2 VAL A 4 -0.269 24.689 22.151 1.00 0.00 ATOM 28 O VAL A 4 0.807 27.646 25.397 1.00 0.00 ATOM 29 C VAL A 4 1.530 26.928 24.706 1.00 0.00 ATOM 30 N LEU A 5 2.794 27.226 24.431 1.00 0.00 ATOM 31 CA LEU A 5 3.359 28.536 24.742 1.00 0.00 ATOM 32 CB LEU A 5 4.762 28.446 25.323 1.00 0.00 ATOM 33 CG LEU A 5 5.103 27.491 26.475 1.00 0.00 ATOM 34 CD1 LEU A 5 6.547 27.760 26.859 1.00 0.00 ATOM 35 CD2 LEU A 5 4.181 27.640 27.676 1.00 0.00 ATOM 36 O LEU A 5 3.949 28.876 22.450 1.00 0.00 ATOM 37 C LEU A 5 3.441 29.350 23.470 1.00 0.00 ATOM 38 N CYS A 6 2.942 30.568 23.533 1.00 0.00 ATOM 39 CA CYS A 6 3.018 31.495 22.404 1.00 0.00 ATOM 40 CB CYS A 6 1.663 32.099 22.092 1.00 0.00 ATOM 41 SG CYS A 6 1.630 32.819 20.419 1.00 0.00 ATOM 42 O CYS A 6 3.822 33.347 23.664 1.00 0.00 ATOM 43 C CYS A 6 4.016 32.564 22.716 1.00 0.00 ATOM 44 N LEU A 7 5.118 32.531 21.958 1.00 0.00 ATOM 45 CA LEU A 7 6.306 33.351 22.165 1.00 0.00 ATOM 46 CB LEU A 7 7.473 32.456 22.552 1.00 0.00 ATOM 47 CG LEU A 7 7.262 31.546 23.772 1.00 0.00 ATOM 48 CD1 LEU A 7 8.499 30.631 23.987 1.00 0.00 ATOM 49 CD2 LEU A 7 6.965 32.413 25.073 1.00 0.00 ATOM 50 O LEU A 7 6.173 33.802 19.797 1.00 0.00 ATOM 51 C LEU A 7 6.645 34.133 20.874 1.00 0.00 ATOM 52 N GLY A 8 7.426 35.191 21.039 1.00 0.00 ATOM 53 CA GLY A 8 7.780 36.111 19.983 1.00 0.00 ATOM 54 O GLY A 8 7.303 37.814 21.615 1.00 0.00 ATOM 55 C GLY A 8 7.840 37.512 20.534 1.00 0.00 ATOM 56 N LEU A 9 8.471 38.392 19.811 1.00 0.00 ATOM 57 CA LEU A 9 8.595 39.736 20.281 1.00 0.00 ATOM 58 CB LEU A 9 9.565 40.550 19.440 1.00 0.00 ATOM 59 CG LEU A 9 10.998 40.041 19.355 1.00 0.00 ATOM 60 CD1 LEU A 9 11.802 40.955 18.453 1.00 0.00 ATOM 61 CD2 LEU A 9 11.648 39.874 20.742 1.00 0.00 ATOM 62 O LEU A 9 6.304 39.978 19.682 1.00 0.00 ATOM 63 C LEU A 9 7.256 40.431 20.301 1.00 0.00 ATOM 64 N ASP A 10 7.211 41.535 21.042 1.00 0.00 ATOM 65 CA ASP A 10 6.067 42.409 21.070 1.00 0.00 ATOM 66 CB ASP A 10 6.272 43.583 22.022 1.00 0.00 ATOM 67 CG ASP A 10 7.509 44.423 21.671 1.00 0.00 ATOM 68 OD1 ASP A 10 8.611 43.920 21.949 1.00 0.00 ATOM 69 OD2 ASP A 10 7.384 45.584 21.149 1.00 0.00 ATOM 70 O ASP A 10 6.750 43.103 18.851 1.00 0.00 ATOM 71 C ASP A 10 5.814 42.927 19.651 1.00 0.00 ATOM 72 N ASN A 11 4.545 43.153 19.346 1.00 0.00 ATOM 73 CA ASN A 11 4.130 43.601 18.011 1.00 0.00 ATOM 74 CB ASN A 11 4.897 44.890 17.589 1.00 0.00 ATOM 75 CG ASN A 11 4.117 45.741 16.585 1.00 0.00 ATOM 76 ND2 ASN A 11 4.820 46.558 15.764 1.00 0.00 ATOM 77 OD1 ASN A 11 2.923 45.671 16.562 1.00 0.00 ATOM 78 O ASN A 11 4.222 42.899 15.712 1.00 0.00 ATOM 79 C ASN A 11 4.303 42.554 16.898 1.00 0.00 ATOM 80 N SER A 12 4.534 41.292 17.244 1.00 0.00 ATOM 81 CA SER A 12 4.671 40.260 16.214 1.00 0.00 ATOM 82 CB SER A 12 5.550 39.094 16.688 1.00 0.00 ATOM 83 OG SER A 12 5.120 38.574 17.918 1.00 0.00 ATOM 84 O SER A 12 3.204 39.325 14.553 1.00 0.00 ATOM 85 C SER A 12 3.300 39.759 15.705 1.00 0.00 ATOM 86 N GLY A 13 2.268 39.807 16.572 1.00 0.00 ATOM 87 CA GLY A 13 0.906 39.340 16.247 1.00 0.00 ATOM 88 O GLY A 13 -0.638 37.536 16.668 1.00 0.00 ATOM 89 C GLY A 13 0.400 38.130 17.018 1.00 0.00 ATOM 90 N LYS A 14 1.096 37.777 18.108 1.00 0.00 ATOM 91 CA LYS A 14 0.764 36.603 18.912 1.00 0.00 ATOM 92 CB LYS A 14 1.650 36.575 20.175 1.00 0.00 ATOM 93 CG LYS A 14 3.145 36.477 19.850 1.00 0.00 ATOM 94 CD LYS A 14 3.966 36.228 21.121 1.00 0.00 ATOM 95 CE LYS A 14 3.971 37.362 22.020 1.00 0.00 ATOM 96 NZ LYS A 14 4.471 38.604 21.364 1.00 0.00 ATOM 97 O LYS A 14 -1.367 35.577 19.110 1.00 0.00 ATOM 98 C LYS A 14 -0.674 36.556 19.356 1.00 0.00 ATOM 99 N THR A 15 -1.120 37.610 20.024 1.00 0.00 ATOM 100 CA THR A 15 -2.483 37.647 20.590 1.00 0.00 ATOM 101 CB THR A 15 -2.625 38.837 21.562 1.00 0.00 ATOM 102 CG2 THR A 15 -4.055 38.912 22.192 1.00 0.00 ATOM 103 OG1 THR A 15 -1.614 38.734 22.600 1.00 0.00 ATOM 104 O THR A 15 -4.610 37.155 19.556 1.00 0.00 ATOM 105 C THR A 15 -3.536 37.717 19.451 1.00 0.00 ATOM 106 N THR A 16 -3.226 38.456 18.395 1.00 0.00 ATOM 107 CA THR A 16 -4.090 38.476 17.173 1.00 0.00 ATOM 108 CB THR A 16 -3.541 39.426 16.133 1.00 0.00 ATOM 109 CG2 THR A 16 -4.439 39.455 14.857 1.00 0.00 ATOM 110 OG1 THR A 16 -3.499 40.739 16.699 1.00 0.00 ATOM 111 O THR A 16 -5.410 36.688 16.262 1.00 0.00 ATOM 112 C THR A 16 -4.292 37.065 16.589 1.00 0.00 ATOM 113 N ILE A 17 -3.218 36.299 16.475 1.00 0.00 ATOM 114 CA ILE A 17 -3.282 34.926 15.984 1.00 0.00 ATOM 115 CB ILE A 17 -1.875 34.297 15.777 1.00 0.00 ATOM 116 CG1 ILE A 17 -1.167 34.893 14.562 1.00 0.00 ATOM 117 CG2 ILE A 17 -1.961 32.717 15.592 1.00 0.00 ATOM 118 CD1 ILE A 17 0.406 34.567 14.450 1.00 0.00 ATOM 119 O ILE A 17 -4.940 33.205 16.406 1.00 0.00 ATOM 120 C ILE A 17 -4.097 34.009 16.885 1.00 0.00 ATOM 121 N ILE A 18 -3.856 34.086 18.200 1.00 0.00 ATOM 122 CA ILE A 18 -4.553 33.237 19.151 1.00 0.00 ATOM 123 CB ILE A 18 -3.969 33.447 20.584 1.00 0.00 ATOM 124 CG1 ILE A 18 -2.553 32.874 20.632 1.00 0.00 ATOM 125 CG2 ILE A 18 -4.854 32.799 21.632 1.00 0.00 ATOM 126 CD1 ILE A 18 -1.723 33.355 21.791 1.00 0.00 ATOM 127 O ILE A 18 -6.872 32.684 19.102 1.00 0.00 ATOM 128 C ILE A 18 -6.046 33.556 19.113 1.00 0.00 ATOM 129 N ASN A 19 -6.359 34.866 19.086 1.00 0.00 ATOM 130 CA ASN A 19 -7.745 35.345 19.000 1.00 0.00 ATOM 131 CB ASN A 19 -7.728 36.874 18.910 1.00 0.00 ATOM 132 CG ASN A 19 -9.093 37.489 19.079 1.00 0.00 ATOM 133 ND2 ASN A 19 -9.593 38.198 18.020 1.00 0.00 ATOM 134 OD1 ASN A 19 -9.710 37.349 20.148 1.00 0.00 ATOM 135 O ASN A 19 -9.647 34.345 17.848 1.00 0.00 ATOM 136 C ASN A 19 -8.496 34.755 17.767 1.00 0.00 ATOM 137 N LYS A 20 -7.804 34.711 16.638 1.00 0.00 ATOM 138 CA LYS A 20 -8.367 34.259 15.361 1.00 0.00 ATOM 139 CB LYS A 20 -7.408 34.643 14.198 1.00 0.00 ATOM 140 CG LYS A 20 -8.099 34.869 12.839 1.00 0.00 ATOM 141 CD LYS A 20 -9.111 36.029 12.912 1.00 0.00 ATOM 142 CE LYS A 20 -9.545 36.483 11.521 1.00 0.00 ATOM 143 NZ LYS A 20 -9.891 35.296 10.687 1.00 0.00 ATOM 144 O LYS A 20 -9.537 32.291 14.623 1.00 0.00 ATOM 145 C LYS A 20 -8.657 32.761 15.355 1.00 0.00 ATOM 146 N LEU A 21 -7.931 32.014 16.184 1.00 0.00 ATOM 147 CA LEU A 21 -8.139 30.588 16.338 1.00 0.00 ATOM 148 CB LEU A 21 -6.921 29.931 17.003 1.00 0.00 ATOM 149 CG LEU A 21 -5.606 29.998 16.267 1.00 0.00 ATOM 150 CD1 LEU A 21 -4.495 29.226 17.061 1.00 0.00 ATOM 151 CD2 LEU A 21 -5.770 29.439 14.819 1.00 0.00 ATOM 152 O LEU A 21 -9.854 29.120 17.184 1.00 0.00 ATOM 153 C LEU A 21 -9.400 30.272 17.166 1.00 0.00 ATOM 154 N LYS A 22 -9.929 31.284 17.857 1.00 0.00 ATOM 155 CA LYS A 22 -11.146 31.130 18.688 1.00 0.00 ATOM 156 CB LYS A 22 -11.259 32.256 19.695 1.00 0.00 ATOM 157 CG LYS A 22 -10.315 32.160 20.848 1.00 0.00 ATOM 158 CD LYS A 22 -10.392 33.410 21.652 1.00 0.00 ATOM 159 CE LYS A 22 -9.411 33.388 22.762 1.00 0.00 ATOM 160 NZ LYS A 22 -9.709 34.477 23.726 1.00 0.00 ATOM 161 O LYS A 22 -12.443 31.743 16.764 1.00 0.00 ATOM 162 C LYS A 22 -12.422 31.154 17.856 1.00 0.00 ATOM 163 N PRO A 23 -13.505 30.547 18.391 1.00 0.00 ATOM 164 CA PRO A 23 -14.843 30.696 17.785 1.00 0.00 ATOM 165 CB PRO A 23 -15.768 29.984 18.779 1.00 0.00 ATOM 166 CG PRO A 23 -14.881 29.017 19.508 1.00 0.00 ATOM 167 CD PRO A 23 -13.530 29.674 19.584 1.00 0.00 ATOM 168 O PRO A 23 -14.807 32.981 18.507 1.00 0.00 ATOM 169 C PRO A 23 -15.217 32.164 17.664 1.00 0.00 ATOM 170 N SER A 24 -15.973 32.499 16.622 1.00 0.00 ATOM 171 CA SER A 24 -16.335 33.889 16.343 1.00 0.00 ATOM 172 CB SER A 24 -17.360 33.947 15.192 1.00 0.00 ATOM 173 OG SER A 24 -18.423 33.008 15.387 1.00 0.00 ATOM 174 O SER A 24 -16.456 35.773 17.844 1.00 0.00 ATOM 175 C SER A 24 -16.867 34.640 17.577 1.00 0.00 ATOM 176 N ASN A 25 -17.781 33.996 18.310 1.00 0.00 ATOM 177 CA ASN A 25 -18.398 34.541 19.548 1.00 0.00 ATOM 178 CB ASN A 25 -19.417 33.529 20.125 1.00 0.00 ATOM 179 O ASN A 25 -17.648 35.805 21.453 1.00 0.00 ATOM 180 C ASN A 25 -17.396 34.894 20.655 1.00 0.00 ATOM 181 N ALA A 26 -16.274 34.161 20.689 1.00 0.00 ATOM 182 CA ALA A 26 -15.242 34.296 21.726 1.00 0.00 ATOM 183 CB ALA A 26 -14.621 32.914 22.012 1.00 0.00 ATOM 184 O ALA A 26 -13.290 35.561 22.247 1.00 0.00 ATOM 185 C ALA A 26 -14.131 35.303 21.403 1.00 0.00 ATOM 186 N GLN A 27 -14.134 35.872 20.188 1.00 0.00 ATOM 187 CA GLN A 27 -13.025 36.723 19.711 1.00 0.00 ATOM 188 CB GLN A 27 -12.962 36.708 18.175 1.00 0.00 ATOM 189 CG GLN A 27 -12.781 35.305 17.596 1.00 0.00 ATOM 190 CD GLN A 27 -12.579 35.299 16.107 1.00 0.00 ATOM 191 OE1 GLN A 27 -12.573 36.339 15.470 1.00 0.00 ATOM 192 NE2 GLN A 27 -12.424 34.118 15.541 1.00 0.00 ATOM 193 O GLN A 27 -14.106 38.811 20.236 1.00 0.00 ATOM 194 C GLN A 27 -13.063 38.176 20.208 1.00 0.00 ATOM 195 N SER A 28 -11.900 38.690 20.594 1.00 0.00 ATOM 196 CA SER A 28 -11.760 40.083 21.010 1.00 0.00 ATOM 197 CB SER A 28 -10.536 40.246 21.921 1.00 0.00 ATOM 198 OG SER A 28 -10.301 41.606 22.249 1.00 0.00 ATOM 199 O SER A 28 -11.046 40.617 18.775 1.00 0.00 ATOM 200 C SER A 28 -11.646 40.987 19.789 1.00 0.00 ATOM 201 N GLN A 29 -12.220 42.178 19.897 1.00 0.00 ATOM 202 CA GLN A 29 -12.229 43.149 18.803 1.00 0.00 ATOM 203 CB GLN A 29 -13.635 43.753 18.651 1.00 0.00 ATOM 204 CG GLN A 29 -14.748 42.703 18.432 1.00 0.00 ATOM 205 CD GLN A 29 -14.489 41.821 17.220 1.00 0.00 ATOM 206 OE1 GLN A 29 -14.419 40.586 17.328 1.00 0.00 ATOM 207 NE2 GLN A 29 -14.332 42.447 16.061 1.00 0.00 ATOM 208 O GLN A 29 -10.795 44.872 17.974 1.00 0.00 ATOM 209 C GLN A 29 -11.188 44.266 18.963 1.00 0.00 ATOM 210 N ASN A 30 -10.762 44.542 20.198 1.00 0.00 ATOM 211 CA ASN A 30 -9.664 45.486 20.457 1.00 0.00 ATOM 212 CB ASN A 30 -10.155 46.709 21.240 1.00 0.00 ATOM 213 CG ASN A 30 -11.069 47.608 20.414 1.00 0.00 ATOM 214 ND2 ASN A 30 -12.064 48.211 21.085 1.00 0.00 ATOM 215 OD1 ASN A 30 -10.890 47.762 19.184 1.00 0.00 ATOM 216 O ASN A 30 -8.550 44.680 22.445 1.00 0.00 ATOM 217 C ASN A 30 -8.510 44.816 21.216 1.00 0.00 ATOM 218 N ILE A 31 -7.489 44.408 20.473 1.00 0.00 ATOM 219 CA ILE A 31 -6.338 43.692 21.042 1.00 0.00 ATOM 220 CB ILE A 31 -5.838 42.578 20.087 1.00 0.00 ATOM 221 CG1 ILE A 31 -6.902 41.475 20.006 1.00 0.00 ATOM 222 CG2 ILE A 31 -4.528 41.994 20.566 1.00 0.00 ATOM 223 CD1 ILE A 31 -6.749 40.572 18.903 1.00 0.00 ATOM 224 O ILE A 31 -4.826 45.461 20.480 1.00 0.00 ATOM 225 C ILE A 31 -5.269 44.704 21.364 1.00 0.00 ATOM 226 N LEU A 32 -4.914 44.762 22.657 1.00 0.00 ATOM 227 CA LEU A 32 -3.909 45.656 23.172 1.00 0.00 ATOM 228 CB LEU A 32 -4.465 46.443 24.362 1.00 0.00 ATOM 229 CG LEU A 32 -5.699 47.327 24.082 1.00 0.00 ATOM 230 CD1 LEU A 32 -6.227 47.909 25.363 1.00 0.00 ATOM 231 CD2 LEU A 32 -5.406 48.457 23.105 1.00 0.00 ATOM 232 O LEU A 32 -2.751 43.620 23.767 1.00 0.00 ATOM 233 C LEU A 32 -2.659 44.823 23.589 1.00 0.00 ATOM 234 N PRO A 33 -1.499 45.472 23.704 1.00 0.00 ATOM 235 CA PRO A 33 -0.302 44.756 24.167 1.00 0.00 ATOM 236 CB PRO A 33 0.682 45.873 24.466 1.00 0.00 ATOM 237 CG PRO A 33 0.288 46.981 23.563 1.00 0.00 ATOM 238 CD PRO A 33 -1.218 46.900 23.478 1.00 0.00 ATOM 239 O PRO A 33 -1.408 44.393 26.296 1.00 0.00 ATOM 240 C PRO A 33 -0.655 43.937 25.421 1.00 0.00 ATOM 241 N THR A 34 -0.179 42.707 25.466 1.00 0.00 ATOM 242 CA THR A 34 -0.406 41.842 26.564 1.00 0.00 ATOM 243 CB THR A 34 -0.030 40.400 26.143 1.00 0.00 ATOM 244 CG2 THR A 34 -0.290 39.448 27.210 1.00 0.00 ATOM 245 OG1 THR A 34 -0.857 40.061 25.020 1.00 0.00 ATOM 246 O THR A 34 1.487 42.670 27.737 1.00 0.00 ATOM 247 C THR A 34 0.351 42.316 27.813 1.00 0.00 ATOM 248 N ILE A 35 -0.345 42.351 28.952 1.00 0.00 ATOM 249 CA ILE A 35 0.242 42.798 30.212 1.00 0.00 ATOM 250 CB ILE A 35 -0.803 43.584 31.055 1.00 0.00 ATOM 251 CG1 ILE A 35 -1.349 44.775 30.236 1.00 0.00 ATOM 252 CG2 ILE A 35 -0.184 44.095 32.389 1.00 0.00 ATOM 253 CD1 ILE A 35 -2.682 45.339 30.783 1.00 0.00 ATOM 254 O ILE A 35 -0.076 40.789 31.510 1.00 0.00 ATOM 255 C ILE A 35 0.727 41.561 30.939 1.00 0.00 ATOM 256 N GLY A 36 2.024 41.319 30.853 1.00 0.00 ATOM 257 CA GLY A 36 2.610 40.088 31.360 1.00 0.00 ATOM 258 O GLY A 36 3.239 38.394 29.776 1.00 0.00 ATOM 259 C GLY A 36 2.368 38.843 30.526 1.00 0.00 ATOM 260 N PHE A 37 1.221 38.233 30.739 1.00 0.00 ATOM 261 CA PHE A 37 0.716 37.202 29.869 1.00 0.00 ATOM 262 CB PHE A 37 1.461 35.925 30.111 1.00 0.00 ATOM 263 CG PHE A 37 1.294 35.378 31.506 1.00 0.00 ATOM 264 CD1 PHE A 37 2.130 35.773 32.525 1.00 0.00 ATOM 265 CD2 PHE A 37 0.286 34.480 31.790 1.00 0.00 ATOM 266 CE1 PHE A 37 1.967 35.267 33.819 1.00 0.00 ATOM 267 CE2 PHE A 37 0.127 33.939 33.144 1.00 0.00 ATOM 268 CZ PHE A 37 0.971 34.350 34.104 1.00 0.00 ATOM 269 O PHE A 37 -1.318 37.590 31.068 1.00 0.00 ATOM 270 C PHE A 37 -0.776 37.000 30.113 1.00 0.00 ATOM 271 N SER A 38 -1.416 36.174 29.252 1.00 0.00 ATOM 272 CA SER A 38 -2.816 35.750 29.395 1.00 0.00 ATOM 273 CB SER A 38 -3.716 36.411 28.337 1.00 0.00 ATOM 274 OG SER A 38 -3.614 37.815 28.416 1.00 0.00 ATOM 275 O SER A 38 -1.925 33.716 28.599 1.00 0.00 ATOM 276 C SER A 38 -2.853 34.265 29.176 1.00 0.00 ATOM 277 N ILE A 39 -3.911 33.619 29.622 1.00 0.00 ATOM 278 CA ILE A 39 -4.178 32.213 29.287 1.00 0.00 ATOM 279 CB ILE A 39 -4.266 31.299 30.519 1.00 0.00 ATOM 280 CG1 ILE A 39 -2.934 31.334 31.315 1.00 0.00 ATOM 281 CG2 ILE A 39 -4.486 29.875 30.114 1.00 0.00 ATOM 282 CD1 ILE A 39 -2.969 30.538 32.727 1.00 0.00 ATOM 283 O ILE A 39 -6.523 32.634 28.910 1.00 0.00 ATOM 284 C ILE A 39 -5.476 32.156 28.474 1.00 0.00 ATOM 285 N GLU A 40 -5.396 31.583 27.274 1.00 0.00 ATOM 286 CA GLU A 40 -6.571 31.479 26.396 1.00 0.00 ATOM 287 CB GLU A 40 -6.362 32.231 25.073 1.00 0.00 ATOM 288 CG GLU A 40 -5.826 33.629 25.200 1.00 0.00 ATOM 289 CD GLU A 40 -6.772 34.578 25.900 1.00 0.00 ATOM 290 OE1 GLU A 40 -6.271 35.561 26.455 1.00 0.00 ATOM 291 OE2 GLU A 40 -8.011 34.348 25.897 1.00 0.00 ATOM 292 O GLU A 40 -5.966 29.198 26.166 1.00 0.00 ATOM 293 C GLU A 40 -6.842 30.046 26.080 1.00 0.00 ATOM 294 N LYS A 41 -8.070 29.784 25.708 1.00 0.00 ATOM 295 CA LYS A 41 -8.424 28.521 25.103 1.00 0.00 ATOM 296 CB LYS A 41 -9.395 27.778 26.024 1.00 0.00 ATOM 297 CG LYS A 41 -8.646 27.176 27.274 1.00 0.00 ATOM 298 CD LYS A 41 -9.399 27.317 28.606 1.00 0.00 ATOM 299 CE LYS A 41 -8.756 26.444 29.754 1.00 0.00 ATOM 300 NZ LYS A 41 -7.973 27.174 30.858 1.00 0.00 ATOM 301 O LYS A 41 -9.598 29.720 23.309 1.00 0.00 ATOM 302 C LYS A 41 -8.952 28.717 23.635 1.00 0.00 ATOM 303 N PHE A 42 -8.579 27.778 22.768 1.00 0.00 ATOM 304 CA PHE A 42 -9.134 27.642 21.414 1.00 0.00 ATOM 305 CB PHE A 42 -8.197 28.269 20.344 1.00 0.00 ATOM 306 CG PHE A 42 -6.760 28.428 20.791 1.00 0.00 ATOM 307 O PHE A 42 -9.112 25.269 22.010 1.00 0.00 ATOM 308 C PHE A 42 -9.397 26.132 21.141 1.00 0.00 ATOM 309 N LYS A 43 -9.973 25.826 19.968 1.00 0.00 ATOM 310 CA LYS A 43 -10.234 24.430 19.552 1.00 0.00 ATOM 311 CB LYS A 43 -11.652 24.007 19.923 1.00 0.00 ATOM 312 CG LYS A 43 -11.905 23.980 21.420 1.00 0.00 ATOM 313 CD LYS A 43 -13.198 23.260 21.758 1.00 0.00 ATOM 314 O LYS A 43 -10.341 25.097 17.243 1.00 0.00 ATOM 315 C LYS A 43 -9.993 24.234 18.053 1.00 0.00 ATOM 316 N SER A 44 -9.377 23.100 17.708 1.00 0.00 ATOM 317 CA SER A 44 -9.075 22.735 16.325 1.00 0.00 ATOM 318 CB SER A 44 -7.643 22.197 16.232 1.00 0.00 ATOM 319 O SER A 44 -11.217 21.622 16.326 1.00 0.00 ATOM 320 C SER A 44 -10.080 21.676 15.837 1.00 0.00 ATOM 321 N SER A 45 -9.671 20.844 14.879 1.00 0.00 ATOM 322 CA SER A 45 -10.544 19.782 14.366 1.00 0.00 ATOM 323 CB SER A 45 -9.854 18.998 13.238 1.00 0.00 ATOM 324 O SER A 45 -12.170 18.553 15.664 1.00 0.00 ATOM 325 C SER A 45 -10.974 18.833 15.497 1.00 0.00 ATOM 326 N SER A 46 -10.005 18.357 16.277 1.00 0.00 ATOM 327 CA SER A 46 -10.293 17.450 17.403 1.00 0.00 ATOM 328 CB SER A 46 -10.265 15.992 16.919 1.00 0.00 ATOM 329 OG SER A 46 -8.972 15.625 16.455 1.00 0.00 ATOM 330 O SER A 46 -9.083 16.699 19.354 1.00 0.00 ATOM 331 C SER A 46 -9.329 17.638 18.580 1.00 0.00 ATOM 332 N LEU A 47 -8.806 18.859 18.721 1.00 0.00 ATOM 333 CA LEU A 47 -7.826 19.175 19.751 1.00 0.00 ATOM 334 CB LEU A 47 -6.438 19.369 19.122 1.00 0.00 ATOM 335 O LEU A 47 -8.695 21.433 19.926 1.00 0.00 ATOM 336 C LEU A 47 -8.253 20.435 20.523 1.00 0.00 ATOM 337 N SER A 48 -8.122 20.358 21.849 1.00 0.00 ATOM 338 CA SER A 48 -8.459 21.447 22.758 1.00 0.00 ATOM 339 CB SER A 48 -9.326 20.912 23.901 1.00 0.00 ATOM 340 OG SER A 48 -9.464 21.870 24.945 1.00 0.00 ATOM 341 O SER A 48 -6.309 21.436 23.868 1.00 0.00 ATOM 342 C SER A 48 -7.176 22.108 23.314 1.00 0.00 ATOM 343 N PHE A 49 -7.073 23.431 23.176 1.00 0.00 ATOM 344 CA PHE A 49 -5.823 24.141 23.506 1.00 0.00 ATOM 345 CB PHE A 49 -5.368 25.015 22.321 1.00 0.00 ATOM 346 CG PHE A 49 -5.017 24.223 21.100 1.00 0.00 ATOM 347 CD1 PHE A 49 -4.016 23.247 21.156 1.00 0.00 ATOM 348 CD2 PHE A 49 -5.706 24.414 19.903 1.00 0.00 ATOM 349 CE1 PHE A 49 -3.697 22.474 20.037 1.00 0.00 ATOM 350 CE2 PHE A 49 -5.387 23.665 18.773 1.00 0.00 ATOM 351 CZ PHE A 49 -4.377 22.682 18.841 1.00 0.00 ATOM 352 O PHE A 49 -6.976 25.624 24.970 1.00 0.00 ATOM 353 C PHE A 49 -5.942 24.993 24.743 1.00 0.00 ATOM 354 N THR A 50 -4.877 24.979 25.550 1.00 0.00 ATOM 355 CA THR A 50 -4.622 26.002 26.566 1.00 0.00 ATOM 356 CB THR A 50 -4.374 25.409 28.006 1.00 0.00 ATOM 357 CG2 THR A 50 -4.160 26.530 29.005 1.00 0.00 ATOM 358 OG1 THR A 50 -5.495 24.645 28.409 1.00 0.00 ATOM 359 O THR A 50 -2.308 26.129 26.042 1.00 0.00 ATOM 360 C THR A 50 -3.356 26.741 26.163 1.00 0.00 ATOM 361 N VAL A 51 -3.457 28.037 25.960 1.00 0.00 ATOM 362 CA VAL A 51 -2.335 28.779 25.432 1.00 0.00 ATOM 363 CB VAL A 51 -2.683 29.512 24.110 1.00 0.00 ATOM 364 CG1 VAL A 51 -1.439 30.277 23.574 1.00 0.00 ATOM 365 CG2 VAL A 51 -3.202 28.514 23.084 1.00 0.00 ATOM 366 O VAL A 51 -2.662 30.577 26.905 1.00 0.00 ATOM 367 C VAL A 51 -1.888 29.769 26.456 1.00 0.00 ATOM 368 N PHE A 52 -0.624 29.670 26.826 1.00 0.00 ATOM 369 CA PHE A 52 0.053 30.736 27.528 1.00 0.00 ATOM 370 CB PHE A 52 1.182 30.175 28.380 1.00 0.00 ATOM 371 CG PHE A 52 0.715 29.435 29.625 1.00 0.00 ATOM 372 CD1 PHE A 52 0.295 28.102 29.555 1.00 0.00 ATOM 373 CD2 PHE A 52 0.784 30.042 30.874 1.00 0.00 ATOM 374 CE1 PHE A 52 -0.085 27.422 30.694 1.00 0.00 ATOM 375 CE2 PHE A 52 0.400 29.363 32.019 1.00 0.00 ATOM 376 CZ PHE A 52 -0.036 28.045 31.921 1.00 0.00 ATOM 377 O PHE A 52 1.620 31.682 25.915 1.00 0.00 ATOM 378 C PHE A 52 0.557 31.811 26.539 1.00 0.00 ATOM 379 N ASP A 53 -0.225 32.862 26.419 1.00 0.00 ATOM 380 CA ASP A 53 0.042 33.933 25.500 1.00 0.00 ATOM 381 CB ASP A 53 -1.274 34.520 24.976 1.00 0.00 ATOM 382 CG ASP A 53 -1.067 35.678 24.014 1.00 0.00 ATOM 383 OD1 ASP A 53 0.089 35.881 23.501 1.00 0.00 ATOM 384 OD2 ASP A 53 -2.071 36.363 23.736 1.00 0.00 ATOM 385 O ASP A 53 0.302 35.811 26.934 1.00 0.00 ATOM 386 C ASP A 53 0.842 34.979 26.204 1.00 0.00 ATOM 387 N MET A 54 2.152 34.968 25.971 1.00 0.00 ATOM 388 CA MET A 54 3.034 35.850 26.701 1.00 0.00 ATOM 389 CB MET A 54 4.396 35.234 26.843 1.00 0.00 ATOM 390 CG MET A 54 4.395 33.824 27.321 1.00 0.00 ATOM 391 SD MET A 54 3.450 33.493 28.830 1.00 0.00 ATOM 392 CE MET A 54 4.054 31.851 29.073 1.00 0.00 ATOM 393 O MET A 54 3.068 37.270 24.792 1.00 0.00 ATOM 394 C MET A 54 3.178 37.170 26.023 1.00 0.00 ATOM 395 N SER A 55 3.429 38.193 26.831 1.00 0.00 ATOM 396 CA SER A 55 3.878 39.435 26.320 1.00 0.00 ATOM 397 CB SER A 55 3.962 40.468 27.424 1.00 0.00 ATOM 398 OG SER A 55 4.661 41.587 26.976 1.00 0.00 ATOM 399 O SER A 55 6.084 38.500 26.435 1.00 0.00 ATOM 400 C SER A 55 5.295 39.197 25.800 1.00 0.00 ATOM 401 N GLY A 56 5.621 39.795 24.660 1.00 0.00 ATOM 402 CA GLY A 56 6.989 39.751 24.145 1.00 0.00 ATOM 403 O GLY A 56 8.876 41.120 23.857 1.00 0.00 ATOM 404 C GLY A 56 7.785 41.009 24.372 1.00 0.00 ATOM 405 N GLN A 57 7.249 41.980 25.133 1.00 0.00 ATOM 406 CA GLN A 57 8.032 43.183 25.467 1.00 0.00 ATOM 407 CB GLN A 57 7.229 44.200 26.255 1.00 0.00 ATOM 408 CG GLN A 57 6.146 44.888 25.582 1.00 0.00 ATOM 409 CD GLN A 57 5.466 45.886 26.523 1.00 0.00 ATOM 410 OE1 GLN A 57 6.114 46.754 27.080 1.00 0.00 ATOM 411 NE2 GLN A 57 4.163 45.749 26.702 1.00 0.00 ATOM 412 O GLN A 57 9.135 41.801 27.139 1.00 0.00 ATOM 413 C GLN A 57 9.234 42.767 26.331 1.00 0.00 ATOM 414 N GLY A 58 10.341 43.486 26.147 1.00 0.00 ATOM 415 CA GLY A 58 11.553 43.342 26.936 1.00 0.00 ATOM 416 O GLY A 58 11.912 42.566 29.156 1.00 0.00 ATOM 417 C GLY A 58 11.304 43.322 28.443 1.00 0.00 ATOM 418 N ARG A 59 10.395 44.170 28.898 1.00 0.00 ATOM 419 CA ARG A 59 9.997 44.232 30.288 1.00 0.00 ATOM 420 CB ARG A 59 8.920 45.284 30.457 1.00 0.00 ATOM 421 CG ARG A 59 8.287 45.211 31.835 1.00 0.00 ATOM 422 CD ARG A 59 8.014 46.457 32.426 1.00 0.00 ATOM 423 NE ARG A 59 7.457 46.265 33.761 1.00 0.00 ATOM 424 CZ ARG A 59 7.005 47.252 34.515 1.00 0.00 ATOM 425 NH1 ARG A 59 7.087 48.500 34.071 1.00 0.00 ATOM 426 NH2 ARG A 59 6.491 46.991 35.711 1.00 0.00 ATOM 427 O ARG A 59 9.801 42.612 32.045 1.00 0.00 ATOM 428 C ARG A 59 9.519 42.891 30.888 1.00 0.00 ATOM 429 N TYR A 60 8.838 42.070 30.076 1.00 0.00 ATOM 430 CA TYR A 60 8.171 40.823 30.506 1.00 0.00 ATOM 431 CB TYR A 60 6.683 40.865 30.095 1.00 0.00 ATOM 432 CG TYR A 60 5.903 41.975 30.750 1.00 0.00 ATOM 433 CD1 TYR A 60 5.245 42.937 29.989 1.00 0.00 ATOM 434 CD2 TYR A 60 5.854 42.092 32.173 1.00 0.00 ATOM 435 CE1 TYR A 60 4.526 43.982 30.602 1.00 0.00 ATOM 436 CE2 TYR A 60 5.141 43.124 32.798 1.00 0.00 ATOM 437 CZ TYR A 60 4.470 44.066 32.017 1.00 0.00 ATOM 438 OH TYR A 60 3.782 45.112 32.619 1.00 0.00 ATOM 439 O TYR A 60 8.284 38.449 30.281 1.00 0.00 ATOM 440 C TYR A 60 8.782 39.537 29.972 1.00 0.00 ATOM 441 N ARG A 61 9.822 39.612 29.135 1.00 0.00 ATOM 442 CA ARG A 61 10.414 38.381 28.576 1.00 0.00 ATOM 443 CB ARG A 61 11.452 38.664 27.498 1.00 0.00 ATOM 444 CG ARG A 61 10.834 38.711 26.128 1.00 0.00 ATOM 445 CD ARG A 61 11.888 38.698 25.046 1.00 0.00 ATOM 446 NE ARG A 61 11.592 39.846 24.338 1.00 0.00 ATOM 447 CZ ARG A 61 12.346 40.899 24.128 1.00 0.00 ATOM 448 NH1 ARG A 61 13.634 40.979 24.405 1.00 0.00 ATOM 449 NH2 ARG A 61 11.770 41.868 23.531 1.00 0.00 ATOM 450 O ARG A 61 11.168 36.257 29.432 1.00 0.00 ATOM 451 C ARG A 61 11.020 37.470 29.649 1.00 0.00 ATOM 452 N ASN A 62 11.376 38.058 30.787 1.00 0.00 ATOM 453 CA ASN A 62 11.809 37.295 31.981 1.00 0.00 ATOM 454 CB ASN A 62 12.211 38.249 33.158 1.00 0.00 ATOM 455 CG ASN A 62 11.018 38.896 33.836 1.00 0.00 ATOM 456 ND2 ASN A 62 10.720 38.450 35.047 1.00 0.00 ATOM 457 OD1 ASN A 62 10.376 39.782 33.287 1.00 0.00 ATOM 458 O ASN A 62 11.196 35.240 33.041 1.00 0.00 ATOM 459 C ASN A 62 10.800 36.244 32.451 1.00 0.00 ATOM 460 N LEU A 63 9.515 36.442 32.135 1.00 0.00 ATOM 461 CA LEU A 63 8.460 35.528 32.536 1.00 0.00 ATOM 462 CB LEU A 63 7.083 36.211 32.501 1.00 0.00 ATOM 463 CG LEU A 63 6.893 37.500 33.287 1.00 0.00 ATOM 464 CD1 LEU A 63 5.470 38.042 33.079 1.00 0.00 ATOM 465 CD2 LEU A 63 7.184 37.304 34.776 1.00 0.00 ATOM 466 O LEU A 63 7.921 33.162 32.315 1.00 0.00 ATOM 467 C LEU A 63 8.393 34.259 31.750 1.00 0.00 ATOM 468 N TRP A 64 8.884 34.293 30.489 1.00 0.00 ATOM 469 CA TRP A 64 8.721 33.151 29.608 1.00 0.00 ATOM 470 CB TRP A 64 9.525 33.337 28.283 1.00 0.00 ATOM 471 CG TRP A 64 9.006 34.386 27.343 1.00 0.00 ATOM 472 CD1 TRP A 64 8.064 35.305 27.587 1.00 0.00 ATOM 473 CD2 TRP A 64 9.500 34.655 26.026 1.00 0.00 ATOM 474 CE2 TRP A 64 8.762 35.751 25.517 1.00 0.00 ATOM 475 CE3 TRP A 64 10.476 34.069 25.227 1.00 0.00 ATOM 476 NE1 TRP A 64 7.885 36.129 26.497 1.00 0.00 ATOM 477 CZ2 TRP A 64 8.975 36.273 24.211 1.00 0.00 ATOM 478 CZ3 TRP A 64 10.696 34.581 23.925 1.00 0.00 ATOM 479 CH2 TRP A 64 9.957 35.687 23.443 1.00 0.00 ATOM 480 O TRP A 64 8.357 30.850 30.183 1.00 0.00 ATOM 481 C TRP A 64 9.130 31.827 30.233 1.00 0.00 ATOM 482 N GLU A 65 10.329 31.807 30.822 1.00 0.00 ATOM 483 CA GLU A 65 10.950 30.580 31.286 1.00 0.00 ATOM 484 CB GLU A 65 12.433 30.807 31.626 1.00 0.00 ATOM 485 CG GLU A 65 12.708 31.631 32.869 1.00 0.00 ATOM 486 CD GLU A 65 14.212 31.729 33.217 1.00 0.00 ATOM 487 OE1 GLU A 65 15.008 30.870 32.779 1.00 0.00 ATOM 488 OE2 GLU A 65 14.580 32.665 33.950 1.00 0.00 ATOM 489 O GLU A 65 10.359 28.756 32.724 1.00 0.00 ATOM 490 C GLU A 65 10.215 29.943 32.465 1.00 0.00 ATOM 491 N HIS A 66 9.420 30.749 33.165 1.00 0.00 ATOM 492 CA HIS A 66 8.576 30.271 34.258 1.00 0.00 ATOM 493 CB HIS A 66 7.862 31.435 34.919 1.00 0.00 ATOM 494 CG HIS A 66 8.787 32.436 35.522 1.00 0.00 ATOM 495 CD2 HIS A 66 10.114 32.383 35.768 1.00 0.00 ATOM 496 ND1 HIS A 66 8.361 33.661 35.972 1.00 0.00 ATOM 497 CE1 HIS A 66 9.393 34.321 36.467 1.00 0.00 ATOM 498 NE2 HIS A 66 10.467 33.570 36.343 1.00 0.00 ATOM 499 O HIS A 66 7.027 28.521 34.618 1.00 0.00 ATOM 500 C HIS A 66 7.542 29.293 33.799 1.00 0.00 ATOM 501 N TYR A 67 7.203 29.326 32.499 1.00 0.00 ATOM 502 CA TYR A 67 6.088 28.539 31.971 1.00 0.00 ATOM 503 CB TYR A 67 5.034 29.482 31.327 1.00 0.00 ATOM 504 CG TYR A 67 4.563 30.474 32.360 1.00 0.00 ATOM 505 CD1 TYR A 67 5.081 31.761 32.398 1.00 0.00 ATOM 506 CD2 TYR A 67 3.683 30.089 33.379 1.00 0.00 ATOM 507 CE1 TYR A 67 4.715 32.657 33.388 1.00 0.00 ATOM 508 CE2 TYR A 67 3.317 30.986 34.402 1.00 0.00 ATOM 509 CZ TYR A 67 3.843 32.265 34.390 1.00 0.00 ATOM 510 OH TYR A 67 3.533 33.193 35.345 1.00 0.00 ATOM 511 O TYR A 67 5.717 26.728 30.460 1.00 0.00 ATOM 512 C TYR A 67 6.553 27.430 31.027 1.00 0.00 ATOM 513 N TYR A 68 7.885 27.256 30.904 1.00 0.00 ATOM 514 CA TYR A 68 8.468 26.320 29.942 1.00 0.00 ATOM 515 CB TYR A 68 9.985 26.466 29.800 1.00 0.00 ATOM 516 CG TYR A 68 10.506 27.717 29.052 1.00 0.00 ATOM 517 CD1 TYR A 68 9.656 28.544 28.308 1.00 0.00 ATOM 518 CD2 TYR A 68 11.851 28.031 29.060 1.00 0.00 ATOM 519 CE1 TYR A 68 10.139 29.707 27.623 1.00 0.00 ATOM 520 CE2 TYR A 68 12.352 29.193 28.357 1.00 0.00 ATOM 521 CZ TYR A 68 11.464 29.999 27.639 1.00 0.00 ATOM 522 OH TYR A 68 11.902 31.119 26.991 1.00 0.00 ATOM 523 O TYR A 68 7.817 24.130 29.346 1.00 0.00 ATOM 524 C TYR A 68 8.120 24.889 30.258 1.00 0.00 ATOM 525 N LYS A 69 8.112 24.531 31.547 1.00 0.00 ATOM 526 CA LYS A 69 7.736 23.170 31.965 1.00 0.00 ATOM 527 CB LYS A 69 7.968 22.938 33.470 1.00 0.00 ATOM 528 CG LYS A 69 9.419 22.664 33.850 1.00 0.00 ATOM 529 CD LYS A 69 9.524 22.275 35.334 1.00 0.00 ATOM 530 CE LYS A 69 10.941 21.916 35.733 1.00 0.00 ATOM 531 NZ LYS A 69 11.801 23.127 35.732 1.00 0.00 ATOM 532 O LYS A 69 5.972 21.629 31.645 1.00 0.00 ATOM 533 C LYS A 69 6.301 22.794 31.596 1.00 0.00 ATOM 534 N GLU A 70 5.448 23.741 31.205 1.00 0.00 ATOM 535 CA GLU A 70 4.185 23.319 30.594 1.00 0.00 ATOM 536 CB GLU A 70 3.012 23.569 31.504 1.00 0.00 ATOM 537 CG GLU A 70 2.861 24.919 32.099 1.00 0.00 ATOM 538 CD GLU A 70 1.804 24.842 33.142 1.00 0.00 ATOM 539 OE1 GLU A 70 2.035 24.155 34.178 1.00 0.00 ATOM 540 OE2 GLU A 70 0.722 25.405 32.913 1.00 0.00 ATOM 541 O GLU A 70 2.755 23.943 28.744 1.00 0.00 ATOM 542 C GLU A 70 3.908 23.773 29.158 1.00 0.00 ATOM 543 N GLY A 71 4.962 23.936 28.388 1.00 0.00 ATOM 544 CA GLY A 71 4.815 23.996 26.959 1.00 0.00 ATOM 545 O GLY A 71 6.070 22.033 26.463 1.00 0.00 ATOM 546 C GLY A 71 4.967 22.573 26.457 1.00 0.00 ATOM 547 N GLN A 72 3.861 21.957 26.054 1.00 0.00 ATOM 548 CA GLN A 72 3.921 20.727 25.270 1.00 0.00 ATOM 549 CB GLN A 72 2.650 19.928 25.446 1.00 0.00 ATOM 550 CG GLN A 72 2.450 19.443 26.868 1.00 0.00 ATOM 551 CD GLN A 72 1.096 18.830 27.082 1.00 0.00 ATOM 552 OE1 GLN A 72 0.080 19.420 26.733 1.00 0.00 ATOM 553 NE2 GLN A 72 1.070 17.623 27.671 1.00 0.00 ATOM 554 O GLN A 72 4.577 20.161 23.028 1.00 0.00 ATOM 555 C GLN A 72 4.161 21.026 23.769 1.00 0.00 ATOM 556 N ALA A 73 3.868 22.256 23.349 1.00 0.00 ATOM 557 CA ALA A 73 4.138 22.712 22.011 1.00 0.00 ATOM 558 CB ALA A 73 2.919 22.444 21.085 1.00 0.00 ATOM 559 O ALA A 73 3.895 24.861 23.040 1.00 0.00 ATOM 560 C ALA A 73 4.405 24.199 22.112 1.00 0.00 ATOM 561 N ILE A 74 5.198 24.723 21.173 1.00 0.00 ATOM 562 CA ILE A 74 5.441 26.183 21.086 1.00 0.00 ATOM 563 CB ILE A 74 6.929 26.503 21.287 1.00 0.00 ATOM 564 CG1 ILE A 74 7.357 26.098 22.707 1.00 0.00 ATOM 565 CG2 ILE A 74 7.239 28.026 20.992 1.00 0.00 ATOM 566 CD1 ILE A 74 8.834 26.096 22.923 1.00 0.00 ATOM 567 O ILE A 74 5.260 26.157 18.685 1.00 0.00 ATOM 568 C ILE A 74 4.986 26.743 19.737 1.00 0.00 ATOM 569 N ILE A 75 4.327 27.896 19.789 1.00 0.00 ATOM 570 CA ILE A 75 4.038 28.735 18.619 1.00 0.00 ATOM 571 CB ILE A 75 2.535 29.120 18.559 1.00 0.00 ATOM 572 CG1 ILE A 75 1.648 27.863 18.447 1.00 0.00 ATOM 573 CG2 ILE A 75 2.263 30.067 17.360 1.00 0.00 ATOM 574 CD1 ILE A 75 0.142 28.147 18.423 1.00 0.00 ATOM 575 O ILE A 75 4.739 30.744 19.703 1.00 0.00 ATOM 576 C ILE A 75 4.899 29.985 18.751 1.00 0.00 ATOM 577 N PHE A 76 5.863 30.144 17.849 1.00 0.00 ATOM 578 CA PHE A 76 6.779 31.276 17.845 1.00 0.00 ATOM 579 CB PHE A 76 8.227 30.776 17.784 1.00 0.00 ATOM 580 CG PHE A 76 9.224 31.767 18.249 1.00 0.00 ATOM 581 CD1 PHE A 76 9.642 32.807 17.414 1.00 0.00 ATOM 582 CD2 PHE A 76 9.787 31.658 19.528 1.00 0.00 ATOM 583 CE1 PHE A 76 10.586 33.717 17.848 1.00 0.00 ATOM 584 CE2 PHE A 76 10.731 32.571 19.957 1.00 0.00 ATOM 585 CZ PHE A 76 11.130 33.594 19.132 1.00 0.00 ATOM 586 O PHE A 76 6.440 31.665 15.498 1.00 0.00 ATOM 587 C PHE A 76 6.456 32.145 16.657 1.00 0.00 ATOM 588 N VAL A 77 6.189 33.417 16.935 1.00 0.00 ATOM 589 CA VAL A 77 5.684 34.345 15.966 1.00 0.00 ATOM 590 CB VAL A 77 4.325 34.997 16.467 1.00 0.00 ATOM 591 CG1 VAL A 77 3.677 35.885 15.371 1.00 0.00 ATOM 592 CG2 VAL A 77 3.357 33.898 16.901 1.00 0.00 ATOM 593 O VAL A 77 7.341 35.999 16.539 1.00 0.00 ATOM 594 C VAL A 77 6.716 35.418 15.645 1.00 0.00 ATOM 595 N ILE A 78 6.878 35.675 14.346 1.00 0.00 ATOM 596 CA ILE A 78 7.819 36.645 13.811 1.00 0.00 ATOM 597 CB ILE A 78 8.824 35.903 12.838 1.00 0.00 ATOM 598 CG1 ILE A 78 9.522 34.732 13.547 1.00 0.00 ATOM 599 CG2 ILE A 78 9.834 36.802 12.265 1.00 0.00 ATOM 600 CD1 ILE A 78 10.405 35.124 14.656 1.00 0.00 ATOM 601 O ILE A 78 6.252 37.363 12.147 1.00 0.00 ATOM 602 C ILE A 78 7.080 37.702 13.022 1.00 0.00 ATOM 603 N ASP A 79 7.388 38.974 13.273 1.00 0.00 ATOM 604 CA ASP A 79 6.948 40.027 12.401 1.00 0.00 ATOM 605 CB ASP A 79 7.051 41.395 13.048 1.00 0.00 ATOM 606 CG ASP A 79 6.605 42.530 12.109 1.00 0.00 ATOM 607 OD1 ASP A 79 6.331 42.276 10.904 1.00 0.00 ATOM 608 OD2 ASP A 79 6.552 43.687 12.553 1.00 0.00 ATOM 609 O ASP A 79 8.998 40.422 11.138 1.00 0.00 ATOM 610 C ASP A 79 7.835 39.968 11.121 1.00 0.00 ATOM 611 N SER A 80 7.268 39.411 10.040 1.00 0.00 ATOM 612 CA SER A 80 7.957 39.259 8.721 1.00 0.00 ATOM 613 CB SER A 80 7.039 38.573 7.691 1.00 0.00 ATOM 614 OG SER A 80 6.931 37.233 8.011 1.00 0.00 ATOM 615 O SER A 80 9.354 40.521 7.278 1.00 0.00 ATOM 616 C SER A 80 8.430 40.545 8.098 1.00 0.00 ATOM 617 N SER A 81 7.800 41.653 8.468 1.00 0.00 ATOM 618 CA SER A 81 8.096 42.968 7.895 1.00 0.00 ATOM 619 CB SER A 81 6.831 43.819 7.880 1.00 0.00 ATOM 620 OG SER A 81 6.454 44.272 9.179 1.00 0.00 ATOM 621 O SER A 81 9.497 44.855 8.226 1.00 0.00 ATOM 622 C SER A 81 9.189 43.741 8.623 1.00 0.00 ATOM 623 N ASP A 82 9.764 43.159 9.688 1.00 0.00 ATOM 624 CA ASP A 82 10.742 43.888 10.543 1.00 0.00 ATOM 625 CB ASP A 82 10.127 44.112 11.919 1.00 0.00 ATOM 626 CG ASP A 82 10.843 45.198 12.729 1.00 0.00 ATOM 627 OD1 ASP A 82 12.016 45.519 12.419 1.00 0.00 ATOM 628 OD2 ASP A 82 10.207 45.725 13.687 1.00 0.00 ATOM 629 O ASP A 82 12.310 42.367 11.611 1.00 0.00 ATOM 630 C ASP A 82 12.072 43.156 10.662 1.00 0.00 ATOM 631 N ARG A 83 12.954 43.381 9.685 1.00 0.00 ATOM 632 CA ARG A 83 14.202 42.601 9.617 1.00 0.00 ATOM 633 CB ARG A 83 14.909 42.812 8.259 1.00 0.00 ATOM 634 CG ARG A 83 14.502 41.812 7.168 1.00 0.00 ATOM 635 CD ARG A 83 14.978 42.264 5.757 1.00 0.00 ATOM 636 O ARG A 83 15.896 42.147 11.291 1.00 0.00 ATOM 637 C ARG A 83 15.151 42.980 10.766 1.00 0.00 ATOM 638 N LEU A 84 15.132 44.244 11.137 1.00 0.00 ATOM 639 CA LEU A 84 16.025 44.727 12.147 1.00 0.00 ATOM 640 CB LEU A 84 15.934 46.251 12.254 1.00 0.00 ATOM 641 CG LEU A 84 16.817 46.899 13.322 1.00 0.00 ATOM 642 CD1 LEU A 84 18.321 46.534 13.159 1.00 0.00 ATOM 643 CD2 LEU A 84 16.617 48.413 13.331 1.00 0.00 ATOM 644 O LEU A 84 16.585 43.528 14.135 1.00 0.00 ATOM 645 C LEU A 84 15.701 44.075 13.479 1.00 0.00 ATOM 646 N ARG A 85 14.431 44.111 13.873 1.00 0.00 ATOM 647 CA ARG A 85 14.032 43.481 15.148 1.00 0.00 ATOM 648 CB ARG A 85 12.633 43.883 15.580 1.00 0.00 ATOM 649 CG ARG A 85 12.471 45.400 15.818 1.00 0.00 ATOM 650 CD ARG A 85 11.194 45.717 16.648 1.00 0.00 ATOM 651 NE ARG A 85 11.299 45.122 17.983 1.00 0.00 ATOM 652 CZ ARG A 85 10.279 44.769 18.749 1.00 0.00 ATOM 653 NH1 ARG A 85 9.037 44.957 18.362 1.00 0.00 ATOM 654 NH2 ARG A 85 10.511 44.206 19.931 1.00 0.00 ATOM 655 O ARG A 85 14.213 41.311 16.055 1.00 0.00 ATOM 656 C ARG A 85 14.138 41.975 15.052 1.00 0.00 ATOM 657 N MET A 86 14.214 41.429 13.839 1.00 0.00 ATOM 658 CA MET A 86 14.337 39.984 13.704 1.00 0.00 ATOM 659 CB MET A 86 14.177 39.555 12.238 1.00 0.00 ATOM 660 CG MET A 86 13.747 38.107 12.056 1.00 0.00 ATOM 661 SD MET A 86 13.526 37.630 10.313 1.00 0.00 ATOM 662 CE MET A 86 12.332 38.837 9.715 1.00 0.00 ATOM 663 O MET A 86 15.772 38.306 14.620 1.00 0.00 ATOM 664 C MET A 86 15.641 39.483 14.272 1.00 0.00 ATOM 665 N VAL A 87 16.638 40.355 14.365 1.00 0.00 ATOM 666 CA VAL A 87 17.900 39.965 15.038 1.00 0.00 ATOM 667 CB VAL A 87 18.965 41.062 14.885 1.00 0.00 ATOM 668 CG1 VAL A 87 20.235 40.610 15.488 1.00 0.00 ATOM 669 CG2 VAL A 87 19.158 41.395 13.378 1.00 0.00 ATOM 670 O VAL A 87 18.278 38.727 17.100 1.00 0.00 ATOM 671 C VAL A 87 17.682 39.663 16.536 1.00 0.00 ATOM 672 N VAL A 88 16.818 40.456 17.166 1.00 0.00 ATOM 673 CA VAL A 88 16.459 40.250 18.583 1.00 0.00 ATOM 674 CB VAL A 88 15.725 41.462 19.166 1.00 0.00 ATOM 675 CG1 VAL A 88 15.387 41.228 20.637 1.00 0.00 ATOM 676 CG2 VAL A 88 16.569 42.689 19.047 1.00 0.00 ATOM 677 O VAL A 88 15.886 38.155 19.629 1.00 0.00 ATOM 678 C VAL A 88 15.638 38.974 18.737 1.00 0.00 ATOM 679 N ALA A 89 14.681 38.774 17.827 1.00 0.00 ATOM 680 CA ALA A 89 13.895 37.551 17.803 1.00 0.00 ATOM 681 CB ALA A 89 12.864 37.611 16.589 1.00 0.00 ATOM 682 O ALA A 89 14.499 35.245 18.404 1.00 0.00 ATOM 683 C ALA A 89 14.769 36.281 17.739 1.00 0.00 ATOM 684 N LYS A 90 15.798 36.326 16.905 1.00 0.00 ATOM 685 CA LYS A 90 16.659 35.154 16.721 1.00 0.00 ATOM 686 CB LYS A 90 17.626 35.393 15.529 1.00 0.00 ATOM 687 CG LYS A 90 18.664 34.281 15.315 1.00 0.00 ATOM 688 CD LYS A 90 19.511 34.516 13.988 1.00 0.00 ATOM 689 CE LYS A 90 20.603 33.443 13.822 1.00 0.00 ATOM 690 NZ LYS A 90 21.736 33.672 14.802 1.00 0.00 ATOM 691 O LYS A 90 17.553 33.724 18.483 1.00 0.00 ATOM 692 C LYS A 90 17.433 34.874 18.029 1.00 0.00 ATOM 693 N GLU A 91 17.922 35.935 18.644 1.00 0.00 ATOM 694 CA GLU A 91 18.604 35.827 19.970 1.00 0.00 ATOM 695 CB GLU A 91 19.031 37.210 20.476 1.00 0.00 ATOM 696 O GLU A 91 18.176 34.239 21.704 1.00 0.00 ATOM 697 C GLU A 91 17.731 35.140 21.003 1.00 0.00 ATOM 698 N GLU A 92 16.450 35.505 21.039 1.00 0.00 ATOM 699 CA GLU A 92 15.529 34.942 22.004 1.00 0.00 ATOM 700 CB GLU A 92 14.231 35.771 22.095 1.00 0.00 ATOM 701 CG GLU A 92 14.412 37.149 22.661 1.00 0.00 ATOM 702 CD GLU A 92 14.787 37.151 24.168 1.00 0.00 ATOM 703 OE1 GLU A 92 14.389 36.249 24.925 1.00 0.00 ATOM 704 OE2 GLU A 92 15.463 38.094 24.586 1.00 0.00 ATOM 705 O GLU A 92 14.948 32.730 22.602 1.00 0.00 ATOM 706 C GLU A 92 15.157 33.514 21.690 1.00 0.00 ATOM 707 N LEU A 93 14.960 33.223 20.403 1.00 0.00 ATOM 708 CA LEU A 93 14.758 31.847 19.941 1.00 0.00 ATOM 709 CB LEU A 93 14.557 31.837 18.416 1.00 0.00 ATOM 710 CG LEU A 93 14.382 30.471 17.746 1.00 0.00 ATOM 711 CD1 LEU A 93 13.221 29.686 18.329 1.00 0.00 ATOM 712 CD2 LEU A 93 14.218 30.679 16.207 1.00 0.00 ATOM 713 O LEU A 93 15.711 29.781 20.804 1.00 0.00 ATOM 714 C LEU A 93 15.926 30.929 20.346 1.00 0.00 ATOM 715 N ASP A 94 17.141 31.394 20.128 1.00 0.00 ATOM 716 CA ASP A 94 18.355 30.625 20.467 1.00 0.00 ATOM 717 CB ASP A 94 19.602 31.316 19.941 1.00 0.00 ATOM 718 CG ASP A 94 19.679 31.307 18.410 1.00 0.00 ATOM 719 OD1 ASP A 94 18.862 30.602 17.756 1.00 0.00 ATOM 720 OD2 ASP A 94 20.547 32.016 17.855 1.00 0.00 ATOM 721 O ASP A 94 18.777 29.249 22.392 1.00 0.00 ATOM 722 C ASP A 94 18.462 30.374 21.968 1.00 0.00 ATOM 723 N THR A 95 18.122 31.380 22.765 1.00 0.00 ATOM 724 CA THR A 95 18.052 31.216 24.246 1.00 0.00 ATOM 725 CB THR A 95 17.828 32.584 24.914 1.00 0.00 ATOM 726 CG2 THR A 95 17.656 32.487 26.434 1.00 0.00 ATOM 727 OG1 THR A 95 18.932 33.418 24.595 1.00 0.00 ATOM 728 O THR A 95 17.224 29.299 25.412 1.00 0.00 ATOM 729 C THR A 95 16.977 30.229 24.635 1.00 0.00 ATOM 730 N LEU A 96 15.778 30.386 24.067 1.00 0.00 ATOM 731 CA LEU A 96 14.708 29.413 24.274 1.00 0.00 ATOM 732 CB LEU A 96 13.524 29.745 23.360 1.00 0.00 ATOM 733 CG LEU A 96 12.420 28.746 23.204 1.00 0.00 ATOM 734 CD1 LEU A 96 11.699 28.528 24.559 1.00 0.00 ATOM 735 CD2 LEU A 96 11.425 29.285 22.134 1.00 0.00 ATOM 736 O LEU A 96 14.898 27.041 24.797 1.00 0.00 ATOM 737 C LEU A 96 15.142 27.978 23.993 1.00 0.00 ATOM 738 N LEU A 97 15.722 27.788 22.820 1.00 0.00 ATOM 739 CA LEU A 97 16.063 26.444 22.346 1.00 0.00 ATOM 740 CB LEU A 97 16.503 26.488 20.888 1.00 0.00 ATOM 741 CG LEU A 97 15.384 26.678 19.863 1.00 0.00 ATOM 742 CD1 LEU A 97 15.989 26.946 18.479 1.00 0.00 ATOM 743 CD2 LEU A 97 14.403 25.471 19.845 1.00 0.00 ATOM 744 O LEU A 97 17.173 24.560 23.325 1.00 0.00 ATOM 745 C LEU A 97 17.147 25.782 23.209 1.00 0.00 ATOM 746 N ASN A 98 18.012 26.592 23.806 1.00 0.00 ATOM 747 CA ASN A 98 19.111 26.092 24.641 1.00 0.00 ATOM 748 CB ASN A 98 20.383 26.940 24.386 1.00 0.00 ATOM 749 CG ASN A 98 20.971 26.736 22.961 1.00 0.00 ATOM 750 ND2 ASN A 98 21.274 27.848 22.271 1.00 0.00 ATOM 751 OD1 ASN A 98 21.159 25.602 22.505 1.00 0.00 ATOM 752 O ASN A 98 19.550 25.561 26.967 1.00 0.00 ATOM 753 C ASN A 98 18.760 26.038 26.158 1.00 0.00 ATOM 754 N HIS A 99 17.567 26.514 26.531 1.00 0.00 ATOM 755 CA HIS A 99 17.147 26.528 27.937 1.00 0.00 ATOM 756 CB HIS A 99 15.802 27.250 28.105 1.00 0.00 ATOM 757 CG HIS A 99 15.444 27.549 29.535 1.00 0.00 ATOM 758 CD2 HIS A 99 15.598 28.671 30.278 1.00 0.00 ATOM 759 ND1 HIS A 99 14.830 26.629 30.358 1.00 0.00 ATOM 760 CE1 HIS A 99 14.623 27.168 31.546 1.00 0.00 ATOM 761 NE2 HIS A 99 15.090 28.403 31.529 1.00 0.00 ATOM 762 O HIS A 99 16.462 24.239 27.818 1.00 0.00 ATOM 763 C HIS A 99 17.019 25.106 28.490 1.00 0.00 ATOM 764 N PRO A 100 17.520 24.867 29.742 1.00 0.00 ATOM 765 CA PRO A 100 17.452 23.540 30.404 1.00 0.00 ATOM 766 CB PRO A 100 17.752 23.868 31.876 1.00 0.00 ATOM 767 CG PRO A 100 18.656 25.022 31.806 1.00 0.00 ATOM 768 CD PRO A 100 18.222 25.849 30.598 1.00 0.00 ATOM 769 O PRO A 100 16.109 21.592 30.222 1.00 0.00 ATOM 770 C PRO A 100 16.121 22.823 30.325 1.00 0.00 ATOM 771 N ASP A 101 15.008 23.568 30.392 1.00 0.00 ATOM 772 CA ASP A 101 13.647 22.966 30.371 1.00 0.00 ATOM 773 CB ASP A 101 12.689 23.802 31.207 1.00 0.00 ATOM 774 CG ASP A 101 13.073 23.834 32.692 1.00 0.00 ATOM 775 OD1 ASP A 101 13.618 22.817 33.187 1.00 0.00 ATOM 776 OD2 ASP A 101 12.831 24.880 33.351 1.00 0.00 ATOM 777 O ASP A 101 11.925 22.324 28.822 1.00 0.00 ATOM 778 C ASP A 101 13.067 22.783 28.971 1.00 0.00 ATOM 779 N ILE A 102 13.857 23.132 27.962 1.00 0.00 ATOM 780 CA ILE A 102 13.461 23.017 26.544 1.00 0.00 ATOM 781 CB ILE A 102 13.491 24.413 25.845 1.00 0.00 ATOM 782 CG1 ILE A 102 12.529 25.397 26.527 1.00 0.00 ATOM 783 CG2 ILE A 102 13.143 24.285 24.370 1.00 0.00 ATOM 784 CD1 ILE A 102 11.083 24.919 26.521 1.00 0.00 ATOM 785 O ILE A 102 13.916 21.291 24.943 1.00 0.00 ATOM 786 C ILE A 102 14.387 22.096 25.750 1.00 0.00 ATOM 787 N LYS A 103 15.698 22.241 25.959 1.00 0.00 ATOM 788 CA LYS A 103 16.733 21.574 25.121 1.00 0.00 ATOM 789 CB LYS A 103 18.151 21.916 25.626 1.00 0.00 ATOM 790 CG LYS A 103 19.256 21.805 24.540 1.00 0.00 ATOM 791 CD LYS A 103 20.686 22.044 25.105 1.00 0.00 ATOM 792 O LYS A 103 17.036 19.513 23.938 1.00 0.00 ATOM 793 C LYS A 103 16.615 20.044 24.962 1.00 0.00 ATOM 794 N HIS A 104 16.053 19.343 25.943 1.00 0.00 ATOM 795 CA HIS A 104 16.013 17.853 25.881 1.00 0.00 ATOM 796 CB HIS A 104 16.745 17.261 27.091 1.00 0.00 ATOM 797 CG HIS A 104 18.152 17.751 27.213 1.00 0.00 ATOM 798 CD2 HIS A 104 19.221 17.589 26.397 1.00 0.00 ATOM 799 ND1 HIS A 104 18.570 18.574 28.238 1.00 0.00 ATOM 800 CE1 HIS A 104 19.846 18.874 28.065 1.00 0.00 ATOM 801 NE2 HIS A 104 20.265 18.289 26.955 1.00 0.00 ATOM 802 O HIS A 104 14.417 16.027 25.834 1.00 0.00 ATOM 803 C HIS A 104 14.611 17.245 25.704 1.00 0.00 ATOM 804 N ARG A 105 13.647 18.081 25.361 1.00 0.00 ATOM 805 CA ARG A 105 12.306 17.606 25.077 1.00 0.00 ATOM 806 CB ARG A 105 11.301 18.370 25.934 1.00 0.00 ATOM 807 CG ARG A 105 11.565 18.251 27.436 1.00 0.00 ATOM 808 CD ARG A 105 10.974 19.427 28.203 1.00 0.00 ATOM 809 NE ARG A 105 9.512 19.378 28.215 1.00 0.00 ATOM 810 CZ ARG A 105 8.685 20.432 28.134 1.00 0.00 ATOM 811 NH1 ARG A 105 9.135 21.678 28.039 1.00 0.00 ATOM 812 NH2 ARG A 105 7.376 20.220 28.153 1.00 0.00 ATOM 813 O ARG A 105 12.304 18.830 23.006 1.00 0.00 ATOM 814 C ARG A 105 12.019 17.781 23.578 1.00 0.00 ATOM 815 N ARG A 106 11.485 16.740 22.939 1.00 0.00 ATOM 816 CA ARG A 106 11.106 16.813 21.513 1.00 0.00 ATOM 817 CB ARG A 106 10.977 15.403 20.888 1.00 0.00 ATOM 818 CG ARG A 106 12.313 14.616 20.742 1.00 0.00 ATOM 819 CD ARG A 106 12.073 13.090 20.553 1.00 0.00 ATOM 820 O ARG A 106 8.729 16.943 21.180 1.00 0.00 ATOM 821 C ARG A 106 9.773 17.547 21.431 1.00 0.00 ATOM 822 N ILE A 107 9.786 18.848 21.685 1.00 0.00 ATOM 823 CA ILE A 107 8.528 19.595 21.643 1.00 0.00 ATOM 824 CB ILE A 107 8.356 20.590 22.867 1.00 0.00 ATOM 825 CG1 ILE A 107 8.823 21.994 22.568 1.00 0.00 ATOM 826 CG2 ILE A 107 9.071 20.063 24.107 1.00 0.00 ATOM 827 CD1 ILE A 107 8.504 22.941 23.712 1.00 0.00 ATOM 828 O ILE A 107 9.363 20.834 19.783 1.00 0.00 ATOM 829 C ILE A 107 8.407 20.261 20.262 1.00 0.00 ATOM 830 N PRO A 108 7.240 20.126 19.608 1.00 0.00 ATOM 831 CA PRO A 108 7.000 20.736 18.319 1.00 0.00 ATOM 832 CB PRO A 108 5.652 20.140 17.895 1.00 0.00 ATOM 833 CG PRO A 108 5.011 19.746 19.122 1.00 0.00 ATOM 834 CD PRO A 108 6.086 19.328 20.047 1.00 0.00 ATOM 835 O PRO A 108 6.211 22.827 19.161 1.00 0.00 ATOM 836 C PRO A 108 6.926 22.271 18.358 1.00 0.00 ATOM 837 N ILE A 109 7.689 22.922 17.489 1.00 0.00 ATOM 838 CA ILE A 109 7.627 24.382 17.332 1.00 0.00 ATOM 839 CB ILE A 109 9.014 25.052 17.503 1.00 0.00 ATOM 840 CG1 ILE A 109 9.738 24.514 18.743 1.00 0.00 ATOM 841 CG2 ILE A 109 8.905 26.629 17.606 1.00 0.00 ATOM 842 CD1 ILE A 109 11.211 24.984 18.871 1.00 0.00 ATOM 843 O ILE A 109 7.546 24.439 14.922 1.00 0.00 ATOM 844 C ILE A 109 7.002 24.748 15.979 1.00 0.00 ATOM 845 N LEU A 110 5.857 25.423 16.044 1.00 0.00 ATOM 846 CA LEU A 110 5.245 26.068 14.913 1.00 0.00 ATOM 847 CB LEU A 110 3.725 25.966 15.009 1.00 0.00 ATOM 848 CG LEU A 110 2.876 26.636 13.917 1.00 0.00 ATOM 849 CD1 LEU A 110 3.204 26.130 12.459 1.00 0.00 ATOM 850 CD2 LEU A 110 1.415 26.443 14.260 1.00 0.00 ATOM 851 O LEU A 110 5.360 28.311 15.756 1.00 0.00 ATOM 852 C LEU A 110 5.644 27.512 14.835 1.00 0.00 ATOM 853 N PHE A 111 6.315 27.874 13.742 1.00 0.00 ATOM 854 CA PHE A 111 6.588 29.271 13.456 1.00 0.00 ATOM 855 CB PHE A 111 7.966 29.425 12.827 1.00 0.00 ATOM 856 CG PHE A 111 9.095 28.997 13.724 1.00 0.00 ATOM 857 CD1 PHE A 111 9.496 27.659 13.784 1.00 0.00 ATOM 858 CD2 PHE A 111 9.764 29.946 14.506 1.00 0.00 ATOM 859 CE1 PHE A 111 10.556 27.271 14.606 1.00 0.00 ATOM 860 CE2 PHE A 111 10.800 29.565 15.353 1.00 0.00 ATOM 861 CZ PHE A 111 11.198 28.246 15.403 1.00 0.00 ATOM 862 O PHE A 111 5.144 29.309 11.519 1.00 0.00 ATOM 863 C PHE A 111 5.565 29.910 12.538 1.00 0.00 ATOM 864 N PHE A 112 5.234 31.178 12.829 1.00 0.00 ATOM 865 CA PHE A 112 4.451 31.969 11.932 1.00 0.00 ATOM 866 CB PHE A 112 3.165 32.472 12.617 1.00 0.00 ATOM 867 CG PHE A 112 2.047 31.452 12.668 1.00 0.00 ATOM 868 CD1 PHE A 112 1.529 31.024 13.889 1.00 0.00 ATOM 869 CD2 PHE A 112 1.485 30.945 11.489 1.00 0.00 ATOM 870 CE1 PHE A 112 0.492 30.113 13.927 1.00 0.00 ATOM 871 CE2 PHE A 112 0.464 30.025 11.521 1.00 0.00 ATOM 872 CZ PHE A 112 -0.057 29.626 12.756 1.00 0.00 ATOM 873 O PHE A 112 5.692 33.966 12.303 1.00 0.00 ATOM 874 C PHE A 112 5.256 33.162 11.479 1.00 0.00 ATOM 875 N ALA A 113 5.451 33.269 10.159 1.00 0.00 ATOM 876 CA ALA A 113 6.058 34.440 9.552 1.00 0.00 ATOM 877 CB ALA A 113 6.833 34.045 8.254 1.00 0.00 ATOM 878 O ALA A 113 4.316 35.355 8.142 1.00 0.00 ATOM 879 C ALA A 113 4.895 35.351 9.263 1.00 0.00 ATOM 880 N ASN A 114 4.537 36.126 10.283 1.00 0.00 ATOM 881 CA ASN A 114 3.325 36.852 10.309 1.00 0.00 ATOM 882 CB ASN A 114 2.805 36.926 11.778 1.00 0.00 ATOM 883 CG ASN A 114 1.370 37.393 11.867 1.00 0.00 ATOM 884 ND2 ASN A 114 1.112 38.361 12.741 1.00 0.00 ATOM 885 OD1 ASN A 114 0.503 36.900 11.133 1.00 0.00 ATOM 886 O ASN A 114 4.592 38.676 9.449 1.00 0.00 ATOM 887 C ASN A 114 3.493 38.229 9.712 1.00 0.00 ATOM 888 N LYS A 115 2.378 38.905 9.526 1.00 0.00 ATOM 889 CA LYS A 115 2.312 40.184 8.870 1.00 0.00 ATOM 890 CB LYS A 115 3.050 41.254 9.651 1.00 0.00 ATOM 891 CG LYS A 115 2.606 41.396 11.098 1.00 0.00 ATOM 892 CD LYS A 115 2.773 42.831 11.581 1.00 0.00 ATOM 893 CE LYS A 115 2.705 42.883 13.098 1.00 0.00 ATOM 894 NZ LYS A 115 2.666 44.277 13.696 1.00 0.00 ATOM 895 O LYS A 115 3.371 40.966 6.802 1.00 0.00 ATOM 896 C LYS A 115 2.800 40.044 7.375 1.00 0.00 ATOM 897 N MET A 116 2.517 38.879 6.779 1.00 0.00 ATOM 898 CA MET A 116 2.808 38.629 5.353 1.00 0.00 ATOM 899 CB MET A 116 2.346 37.254 4.948 1.00 0.00 ATOM 900 CG MET A 116 0.860 37.153 4.634 1.00 0.00 ATOM 901 SD MET A 116 0.433 35.488 4.325 1.00 0.00 ATOM 902 CE MET A 116 1.298 35.200 2.727 1.00 0.00 ATOM 903 O MET A 116 2.658 39.813 3.247 1.00 0.00 ATOM 904 C MET A 116 2.185 39.659 4.380 1.00 0.00 ATOM 905 N ASP A 117 1.116 40.311 4.815 1.00 0.00 ATOM 906 CA ASP A 117 0.385 41.305 4.020 1.00 0.00 ATOM 907 CB ASP A 117 -1.017 41.559 4.625 1.00 0.00 ATOM 908 CG ASP A 117 -0.960 42.063 6.092 1.00 0.00 ATOM 909 OD1 ASP A 117 -0.436 41.304 6.917 1.00 0.00 ATOM 910 OD2 ASP A 117 -1.409 43.206 6.403 1.00 0.00 ATOM 911 O ASP A 117 0.713 43.435 2.993 1.00 0.00 ATOM 912 C ASP A 117 1.083 42.648 3.866 1.00 0.00 ATOM 913 N LEU A 118 2.053 42.938 4.721 1.00 0.00 ATOM 914 CA LEU A 118 2.707 44.242 4.713 1.00 0.00 ATOM 915 CB LEU A 118 3.356 44.566 6.077 1.00 0.00 ATOM 916 CG LEU A 118 2.401 44.783 7.285 1.00 0.00 ATOM 917 CD1 LEU A 118 3.198 45.119 8.542 1.00 0.00 ATOM 918 CD2 LEU A 118 1.373 45.850 7.044 1.00 0.00 ATOM 919 O LEU A 118 4.334 43.272 3.151 1.00 0.00 ATOM 920 C LEU A 118 3.753 44.298 3.547 1.00 0.00 ATOM 921 N ARG A 119 3.936 45.497 2.986 1.00 0.00 ATOM 922 CA ARG A 119 4.802 45.691 1.792 1.00 0.00 ATOM 923 CB ARG A 119 4.822 47.170 1.383 1.00 0.00 ATOM 924 O ARG A 119 6.855 44.611 1.136 1.00 0.00 ATOM 925 C ARG A 119 6.235 45.227 2.020 1.00 0.00 ATOM 926 N ASP A 120 6.755 45.518 3.209 1.00 0.00 ATOM 927 CA ASP A 120 8.135 45.169 3.571 1.00 0.00 ATOM 928 CB ASP A 120 8.626 46.105 4.686 1.00 0.00 ATOM 929 CG ASP A 120 8.772 47.559 4.210 1.00 0.00 ATOM 930 OD1 ASP A 120 8.860 47.773 2.969 1.00 0.00 ATOM 931 OD2 ASP A 120 8.812 48.485 5.070 1.00 0.00 ATOM 932 O ASP A 120 9.453 43.336 4.347 1.00 0.00 ATOM 933 C ASP A 120 8.340 43.710 3.993 1.00 0.00 ATOM 934 N ALA A 121 7.288 42.884 3.897 1.00 0.00 ATOM 935 CA ALA A 121 7.310 41.520 4.449 1.00 0.00 ATOM 936 CB ALA A 121 5.905 40.957 4.552 1.00 0.00 ATOM 937 O ALA A 121 8.186 40.506 2.494 1.00 0.00 ATOM 938 C ALA A 121 8.202 40.563 3.703 1.00 0.00 ATOM 939 N VAL A 122 8.939 39.777 4.487 1.00 0.00 ATOM 940 CA VAL A 122 9.848 38.720 4.061 1.00 0.00 ATOM 941 CB VAL A 122 11.015 38.593 5.168 1.00 0.00 ATOM 942 CG1 VAL A 122 11.703 37.319 5.145 1.00 0.00 ATOM 943 CG2 VAL A 122 12.025 39.754 5.033 1.00 0.00 ATOM 944 O VAL A 122 8.050 37.283 4.701 1.00 0.00 ATOM 945 C VAL A 122 9.013 37.443 3.952 1.00 0.00 ATOM 946 N THR A 123 9.352 36.543 3.034 1.00 0.00 ATOM 947 CA THR A 123 8.585 35.318 2.877 1.00 0.00 ATOM 948 CB THR A 123 8.819 34.610 1.492 1.00 0.00 ATOM 949 CG2 THR A 123 8.384 35.512 0.350 1.00 0.00 ATOM 950 OG1 THR A 123 10.202 34.254 1.364 1.00 0.00 ATOM 951 O THR A 123 9.943 34.467 4.635 1.00 0.00 ATOM 952 C THR A 123 8.934 34.324 3.965 1.00 0.00 ATOM 953 N SER A 124 8.107 33.304 4.129 1.00 0.00 ATOM 954 CA SER A 124 8.349 32.315 5.185 1.00 0.00 ATOM 955 CB SER A 124 7.181 31.375 5.304 1.00 0.00 ATOM 956 OG SER A 124 7.006 30.631 4.132 1.00 0.00 ATOM 957 O SER A 124 10.430 31.240 5.865 1.00 0.00 ATOM 958 C SER A 124 9.678 31.541 4.928 1.00 0.00 ATOM 959 N VAL A 125 9.952 31.237 3.648 1.00 0.00 ATOM 960 CA VAL A 125 11.261 30.735 3.212 1.00 0.00 ATOM 961 CB VAL A 125 11.281 30.507 1.622 1.00 0.00 ATOM 962 CG1 VAL A 125 12.722 30.199 1.120 1.00 0.00 ATOM 963 CG2 VAL A 125 10.346 29.423 1.267 1.00 0.00 ATOM 964 O VAL A 125 13.405 31.223 4.106 1.00 0.00 ATOM 965 C VAL A 125 12.428 31.664 3.594 1.00 0.00 ATOM 966 N LYS A 126 12.283 32.960 3.373 1.00 0.00 ATOM 967 CA LYS A 126 13.333 33.880 3.704 1.00 0.00 ATOM 968 CB LYS A 126 12.991 35.264 3.174 1.00 0.00 ATOM 969 CG LYS A 126 14.052 36.301 3.397 1.00 0.00 ATOM 970 CD LYS A 126 15.337 35.953 2.589 1.00 0.00 ATOM 971 CE LYS A 126 16.367 37.050 2.639 1.00 0.00 ATOM 972 NZ LYS A 126 17.693 36.567 2.063 1.00 0.00 ATOM 973 O LYS A 126 14.655 33.985 5.727 1.00 0.00 ATOM 974 C LYS A 126 13.528 33.921 5.242 1.00 0.00 ATOM 975 N VAL A 127 12.415 33.884 5.982 1.00 0.00 ATOM 976 CA VAL A 127 12.452 33.916 7.471 1.00 0.00 ATOM 977 CB VAL A 127 11.027 34.049 8.082 1.00 0.00 ATOM 978 CG1 VAL A 127 11.031 33.772 9.651 1.00 0.00 ATOM 979 CG2 VAL A 127 10.491 35.443 7.792 1.00 0.00 ATOM 980 O VAL A 127 13.964 32.834 8.892 1.00 0.00 ATOM 981 C VAL A 127 13.142 32.719 8.007 1.00 0.00 ATOM 982 N SER A 128 12.820 31.548 7.469 1.00 0.00 ATOM 983 CA SER A 128 13.455 30.329 7.859 1.00 0.00 ATOM 984 CB SER A 128 12.813 29.164 7.097 1.00 0.00 ATOM 985 OG SER A 128 13.508 27.962 7.289 1.00 0.00 ATOM 986 O SER A 128 15.767 29.877 8.514 1.00 0.00 ATOM 987 C SER A 128 14.998 30.367 7.655 1.00 0.00 ATOM 988 N GLN A 129 15.423 30.979 6.543 1.00 0.00 ATOM 989 CA GLN A 129 16.836 31.181 6.252 1.00 0.00 ATOM 990 CB GLN A 129 17.003 31.720 4.818 1.00 0.00 ATOM 991 CG GLN A 129 18.296 32.492 4.565 1.00 0.00 ATOM 992 CD GLN A 129 18.278 33.270 3.259 1.00 0.00 ATOM 993 OE1 GLN A 129 18.326 34.518 3.250 1.00 0.00 ATOM 994 NE2 GLN A 129 18.208 32.547 2.155 1.00 0.00 ATOM 995 O GLN A 129 18.485 31.869 7.852 1.00 0.00 ATOM 996 C GLN A 129 17.464 32.155 7.263 1.00 0.00 ATOM 997 N LEU A 130 16.839 33.306 7.438 1.00 0.00 ATOM 998 CA LEU A 130 17.339 34.315 8.354 1.00 0.00 ATOM 999 CB LEU A 130 16.496 35.593 8.251 1.00 0.00 ATOM 1000 CG LEU A 130 16.644 36.411 6.968 1.00 0.00 ATOM 1001 CD1 LEU A 130 15.589 37.522 6.872 1.00 0.00 ATOM 1002 CD2 LEU A 130 18.052 37.008 6.831 1.00 0.00 ATOM 1003 O LEU A 130 18.449 34.187 10.512 1.00 0.00 ATOM 1004 C LEU A 130 17.477 33.824 9.827 1.00 0.00 ATOM 1005 N LEU A 131 16.533 33.002 10.290 1.00 0.00 ATOM 1006 CA LEU A 131 16.525 32.466 11.679 1.00 0.00 ATOM 1007 CB LEU A 131 15.094 32.212 12.142 1.00 0.00 ATOM 1008 CG LEU A 131 14.203 33.447 12.296 1.00 0.00 ATOM 1009 CD1 LEU A 131 12.788 33.038 12.713 1.00 0.00 ATOM 1010 CD2 LEU A 131 14.826 34.448 13.312 1.00 0.00 ATOM 1011 O LEU A 131 17.494 30.658 12.918 1.00 0.00 ATOM 1012 C LEU A 131 17.303 31.166 11.811 1.00 0.00 ATOM 1013 N CYS A 132 17.708 30.613 10.673 1.00 0.00 ATOM 1014 CA CYS A 132 18.508 29.377 10.608 1.00 0.00 ATOM 1015 CB CYS A 132 19.887 29.591 11.272 1.00 0.00 ATOM 1016 SG CYS A 132 20.834 30.861 10.418 1.00 0.00 ATOM 1017 O CYS A 132 18.387 27.355 11.871 1.00 0.00 ATOM 1018 C CYS A 132 17.786 28.187 11.170 1.00 0.00 ATOM 1019 N LEU A 133 16.492 28.081 10.840 1.00 0.00 ATOM 1020 CA LEU A 133 15.614 27.027 11.381 1.00 0.00 ATOM 1021 CB LEU A 133 14.146 27.284 11.002 1.00 0.00 ATOM 1022 CG LEU A 133 13.579 28.666 11.391 1.00 0.00 ATOM 1023 CD1 LEU A 133 12.106 28.741 10.986 1.00 0.00 ATOM 1024 CD2 LEU A 133 13.776 28.963 12.887 1.00 0.00 ATOM 1025 O LEU A 133 15.737 24.622 11.688 1.00 0.00 ATOM 1026 C LEU A 133 16.034 25.619 10.980 1.00 0.00 ATOM 1027 N GLU A 134 16.746 25.526 9.857 1.00 0.00 ATOM 1028 CA GLU A 134 17.350 24.280 9.374 1.00 0.00 ATOM 1029 CB GLU A 134 18.190 24.551 8.082 1.00 0.00 ATOM 1030 CG GLU A 134 19.412 25.547 8.215 1.00 0.00 ATOM 1031 CD GLU A 134 19.079 27.043 7.923 1.00 0.00 ATOM 1032 OE1 GLU A 134 17.868 27.447 7.928 1.00 0.00 ATOM 1033 OE2 GLU A 134 20.057 27.810 7.707 1.00 0.00 ATOM 1034 O GLU A 134 18.387 22.417 10.503 1.00 0.00 ATOM 1035 C GLU A 134 18.216 23.638 10.453 1.00 0.00 ATOM 1036 N ASN A 135 18.797 24.491 11.308 1.00 0.00 ATOM 1037 CA ASN A 135 19.646 24.019 12.412 1.00 0.00 ATOM 1038 CB ASN A 135 20.502 25.171 12.970 1.00 0.00 ATOM 1039 CG ASN A 135 21.562 25.638 11.994 1.00 0.00 ATOM 1040 ND2 ASN A 135 21.944 26.905 12.103 1.00 0.00 ATOM 1041 OD1 ASN A 135 22.031 24.872 11.145 1.00 0.00 ATOM 1042 O ASN A 135 19.511 22.712 14.423 1.00 0.00 ATOM 1043 C ASN A 135 18.891 23.326 13.566 1.00 0.00 ATOM 1044 N ILE A 136 17.564 23.435 13.597 1.00 0.00 ATOM 1045 CA ILE A 136 16.756 22.728 14.606 1.00 0.00 ATOM 1046 CB ILE A 136 15.368 23.371 14.797 1.00 0.00 ATOM 1047 CG1 ILE A 136 15.509 24.848 15.225 1.00 0.00 ATOM 1048 CG2 ILE A 136 14.542 22.567 15.797 1.00 0.00 ATOM 1049 CD1 ILE A 136 14.208 25.591 15.264 1.00 0.00 ATOM 1050 O ILE A 136 15.806 20.943 13.241 1.00 0.00 ATOM 1051 C ILE A 136 16.606 21.265 14.164 1.00 0.00 ATOM 1052 N LYS A 137 17.379 20.386 14.800 1.00 0.00 ATOM 1053 CA LYS A 137 17.461 18.981 14.382 1.00 0.00 ATOM 1054 CB LYS A 137 18.928 18.541 14.298 1.00 0.00 ATOM 1055 O LYS A 137 16.218 16.982 14.812 1.00 0.00 ATOM 1056 C LYS A 137 16.705 18.017 15.288 1.00 0.00 ATOM 1057 N ASP A 138 16.616 18.340 16.582 1.00 0.00 ATOM 1058 CA ASP A 138 16.063 17.412 17.580 1.00 0.00 ATOM 1059 CB ASP A 138 16.946 17.423 18.832 1.00 0.00 ATOM 1060 O ASP A 138 14.056 17.091 18.902 1.00 0.00 ATOM 1061 C ASP A 138 14.597 17.707 17.967 1.00 0.00 ATOM 1062 N LYS A 139 13.963 18.643 17.258 1.00 0.00 ATOM 1063 CA LYS A 139 12.553 18.964 17.482 1.00 0.00 ATOM 1064 CB LYS A 139 12.408 20.323 18.195 1.00 0.00 ATOM 1065 CG LYS A 139 13.175 20.453 19.518 1.00 0.00 ATOM 1066 CD LYS A 139 12.487 21.429 20.450 1.00 0.00 ATOM 1067 CE LYS A 139 13.356 21.849 21.655 1.00 0.00 ATOM 1068 NZ LYS A 139 14.145 20.764 22.219 1.00 0.00 ATOM 1069 O LYS A 139 12.419 19.601 15.195 1.00 0.00 ATOM 1070 C LYS A 139 11.851 19.057 16.141 1.00 0.00 ATOM 1071 N PRO A 140 10.593 18.586 16.062 1.00 0.00 ATOM 1072 CA PRO A 140 9.858 18.848 14.842 1.00 0.00 ATOM 1073 CB PRO A 140 8.627 17.935 14.951 1.00 0.00 ATOM 1074 CG PRO A 140 8.555 17.493 16.348 1.00 0.00 ATOM 1075 CD PRO A 140 9.795 17.859 17.061 1.00 0.00 ATOM 1076 O PRO A 140 9.092 20.881 15.798 1.00 0.00 ATOM 1077 C PRO A 140 9.460 20.307 14.780 1.00 0.00 ATOM 1078 N TRP A 141 9.604 20.913 13.604 1.00 0.00 ATOM 1079 CA TRP A 141 9.170 22.274 13.381 1.00 0.00 ATOM 1080 CB TRP A 141 10.326 23.258 13.573 1.00 0.00 ATOM 1081 CG TRP A 141 11.448 23.080 12.598 1.00 0.00 ATOM 1082 CD1 TRP A 141 12.494 22.203 12.695 1.00 0.00 ATOM 1083 CD2 TRP A 141 11.643 23.807 11.381 1.00 0.00 ATOM 1084 CE2 TRP A 141 12.808 23.312 10.780 1.00 0.00 ATOM 1085 CE3 TRP A 141 10.929 24.823 10.733 1.00 0.00 ATOM 1086 NE1 TRP A 141 13.316 22.341 11.602 1.00 0.00 ATOM 1087 CZ2 TRP A 141 13.295 23.810 9.571 1.00 0.00 ATOM 1088 CZ3 TRP A 141 11.408 25.305 9.530 1.00 0.00 ATOM 1089 CH2 TRP A 141 12.583 24.785 8.960 1.00 0.00 ATOM 1090 O TRP A 141 8.688 21.610 11.104 1.00 0.00 ATOM 1091 C TRP A 141 8.540 22.465 12.011 1.00 0.00 ATOM 1092 N HIS A 142 7.826 23.588 11.877 1.00 0.00 ATOM 1093 CA HIS A 142 7.199 23.979 10.640 1.00 0.00 ATOM 1094 CB HIS A 142 5.813 23.367 10.563 1.00 0.00 ATOM 1095 CG HIS A 142 5.159 23.521 9.229 1.00 0.00 ATOM 1096 CD2 HIS A 142 4.124 24.291 8.828 1.00 0.00 ATOM 1097 ND1 HIS A 142 5.546 22.790 8.122 1.00 0.00 ATOM 1098 CE1 HIS A 142 4.793 23.129 7.090 1.00 0.00 ATOM 1099 NE2 HIS A 142 3.922 24.039 7.489 1.00 0.00 ATOM 1100 O HIS A 142 6.975 26.093 11.662 1.00 0.00 ATOM 1101 C HIS A 142 7.110 25.480 10.615 1.00 0.00 ATOM 1102 N ILE A 143 7.207 26.089 9.436 1.00 0.00 ATOM 1103 CA ILE A 143 6.956 27.562 9.310 1.00 0.00 ATOM 1104 CB ILE A 143 8.227 28.338 9.009 1.00 0.00 ATOM 1105 CG1 ILE A 143 7.957 29.844 9.126 1.00 0.00 ATOM 1106 CG2 ILE A 143 8.835 27.957 7.573 1.00 0.00 ATOM 1107 CD1 ILE A 143 9.189 30.681 9.269 1.00 0.00 ATOM 1108 O ILE A 143 5.751 27.243 7.217 1.00 0.00 ATOM 1109 C ILE A 143 5.840 27.898 8.266 1.00 0.00 ATOM 1110 N CYS A 144 4.993 28.880 8.597 1.00 0.00 ATOM 1111 CA CYS A 144 3.885 29.371 7.720 1.00 0.00 ATOM 1112 CB CYS A 144 2.476 29.156 8.346 1.00 0.00 ATOM 1113 SG CYS A 144 2.042 27.615 8.669 1.00 0.00 ATOM 1114 O CYS A 144 4.200 31.469 8.655 1.00 0.00 ATOM 1115 C CYS A 144 3.956 30.810 7.630 1.00 0.00 ATOM 1116 N ALA A 145 3.615 31.336 6.452 1.00 0.00 ATOM 1117 CA ALA A 145 3.317 32.751 6.306 1.00 0.00 ATOM 1118 CB ALA A 145 3.478 33.224 4.840 1.00 0.00 ATOM 1119 O ALA A 145 1.013 32.084 6.623 1.00 0.00 ATOM 1120 C ALA A 145 1.887 32.962 6.807 1.00 0.00 ATOM 1121 N SER A 146 1.638 34.115 7.434 1.00 0.00 ATOM 1122 CA SER A 146 0.314 34.403 7.947 1.00 0.00 ATOM 1123 CB SER A 146 0.137 33.843 9.403 1.00 0.00 ATOM 1124 OG SER A 146 1.029 34.469 10.341 1.00 0.00 ATOM 1125 O SER A 146 0.888 36.700 7.999 1.00 0.00 ATOM 1126 C SER A 146 0.012 35.869 7.905 1.00 0.00 ATOM 1127 N ASP A 147 -1.255 36.158 7.688 1.00 0.00 ATOM 1128 CA ASP A 147 -1.825 37.461 7.849 1.00 0.00 ATOM 1129 CB ASP A 147 -2.496 37.930 6.546 1.00 0.00 ATOM 1130 CG ASP A 147 -3.351 39.196 6.729 1.00 0.00 ATOM 1131 OD1 ASP A 147 -3.766 39.556 7.866 1.00 0.00 ATOM 1132 OD2 ASP A 147 -3.621 39.826 5.729 1.00 0.00 ATOM 1133 O ASP A 147 -3.943 36.643 8.625 1.00 0.00 ATOM 1134 C ASP A 147 -2.885 37.220 8.910 1.00 0.00 ATOM 1135 N ALA A 148 -2.596 37.610 10.139 1.00 0.00 ATOM 1136 CA ALA A 148 -3.463 37.234 11.281 1.00 0.00 ATOM 1137 CB ALA A 148 -2.671 37.350 12.599 1.00 0.00 ATOM 1138 O ALA A 148 -5.691 37.649 11.985 1.00 0.00 ATOM 1139 C ALA A 148 -4.746 38.043 11.342 1.00 0.00 ATOM 1140 N ILE A 149 -4.777 39.200 10.701 1.00 0.00 ATOM 1141 CA ILE A 149 -5.987 39.994 10.663 1.00 0.00 ATOM 1142 CB ILE A 149 -5.715 41.440 10.198 1.00 0.00 ATOM 1143 CG1 ILE A 149 -4.634 42.091 11.097 1.00 0.00 ATOM 1144 CG2 ILE A 149 -7.026 42.251 10.211 1.00 0.00 ATOM 1145 CD1 ILE A 149 -4.483 43.579 10.943 1.00 0.00 ATOM 1146 O ILE A 149 -8.220 39.157 10.146 1.00 0.00 ATOM 1147 C ILE A 149 -7.023 39.283 9.776 1.00 0.00 ATOM 1148 N LYS A 150 -6.567 38.795 8.638 1.00 0.00 ATOM 1149 CA LYS A 150 -7.400 38.076 7.689 1.00 0.00 ATOM 1150 CB LYS A 150 -6.704 38.117 6.308 1.00 0.00 ATOM 1151 CG LYS A 150 -7.285 37.255 5.247 1.00 0.00 ATOM 1152 CD LYS A 150 -6.658 37.594 3.890 1.00 0.00 ATOM 1153 CE LYS A 150 -7.281 36.757 2.767 1.00 0.00 ATOM 1154 NZ LYS A 150 -6.757 37.178 1.411 1.00 0.00 ATOM 1155 O LYS A 150 -8.673 36.036 7.830 1.00 0.00 ATOM 1156 C LYS A 150 -7.613 36.636 8.110 1.00 0.00 ATOM 1157 N GLY A 151 -6.596 36.060 8.732 1.00 0.00 ATOM 1158 CA GLY A 151 -6.590 34.621 9.127 1.00 0.00 ATOM 1159 O GLY A 151 -5.850 32.458 8.369 1.00 0.00 ATOM 1160 C GLY A 151 -5.871 33.688 8.174 1.00 0.00 ATOM 1161 N GLU A 152 -5.285 34.255 7.130 1.00 0.00 ATOM 1162 CA GLU A 152 -4.582 33.489 6.122 1.00 0.00 ATOM 1163 CB GLU A 152 -4.160 34.453 4.999 1.00 0.00 ATOM 1164 CG GLU A 152 -3.553 33.776 3.800 1.00 0.00 ATOM 1165 CD GLU A 152 -4.569 32.973 2.980 1.00 0.00 ATOM 1166 OE1 GLU A 152 -4.122 32.261 2.059 1.00 0.00 ATOM 1167 OE2 GLU A 152 -5.790 33.059 3.255 1.00 0.00 ATOM 1168 O GLU A 152 -2.610 33.421 7.393 1.00 0.00 ATOM 1169 C GLU A 152 -3.342 32.804 6.683 1.00 0.00 ATOM 1170 N GLY A 153 -3.144 31.507 6.380 1.00 0.00 ATOM 1171 CA GLY A 153 -2.032 30.739 6.870 1.00 0.00 ATOM 1172 O GLY A 153 -1.551 29.005 8.443 1.00 0.00 ATOM 1173 C GLY A 153 -2.215 29.992 8.199 1.00 0.00 ATOM 1174 N LEU A 154 -3.143 30.432 9.019 1.00 0.00 ATOM 1175 CA LEU A 154 -3.337 29.846 10.378 1.00 0.00 ATOM 1176 CB LEU A 154 -4.277 30.720 11.214 1.00 0.00 ATOM 1177 CG LEU A 154 -3.884 32.181 11.363 1.00 0.00 ATOM 1178 CD1 LEU A 154 -4.880 32.881 12.297 1.00 0.00 ATOM 1179 CD2 LEU A 154 -2.474 32.317 11.873 1.00 0.00 ATOM 1180 O LEU A 154 -3.359 27.572 11.114 1.00 0.00 ATOM 1181 C LEU A 154 -3.822 28.403 10.345 1.00 0.00 ATOM 1182 N GLN A 155 -4.712 28.093 9.407 1.00 0.00 ATOM 1183 CA GLN A 155 -5.204 26.731 9.226 1.00 0.00 ATOM 1184 CB GLN A 155 -6.200 26.651 8.039 1.00 0.00 ATOM 1185 CG GLN A 155 -6.969 25.339 8.012 1.00 0.00 ATOM 1186 CD GLN A 155 -7.777 25.117 9.303 1.00 0.00 ATOM 1187 OE1 GLN A 155 -8.759 25.825 9.564 1.00 0.00 ATOM 1188 NE2 GLN A 155 -7.353 24.157 10.118 1.00 0.00 ATOM 1189 O GLN A 155 -4.171 24.645 9.622 1.00 0.00 ATOM 1190 C GLN A 155 -4.116 25.704 9.023 1.00 0.00 ATOM 1191 N GLU A 156 -3.140 26.004 8.150 1.00 0.00 ATOM 1192 CA GLU A 156 -2.001 25.101 7.886 1.00 0.00 ATOM 1193 CB GLU A 156 -1.108 25.684 6.788 1.00 0.00 ATOM 1194 CG GLU A 156 0.186 24.856 6.474 1.00 0.00 ATOM 1195 CD GLU A 156 1.119 25.568 5.481 1.00 0.00 ATOM 1196 OE1 GLU A 156 0.639 26.381 4.641 1.00 0.00 ATOM 1197 OE2 GLU A 156 2.334 25.350 5.566 1.00 0.00 ATOM 1198 O GLU A 156 -0.695 23.736 9.377 1.00 0.00 ATOM 1199 C GLU A 156 -1.150 24.843 9.140 1.00 0.00 ATOM 1200 N GLY A 157 -0.889 25.885 9.915 1.00 0.00 ATOM 1201 CA GLY A 157 -0.169 25.712 11.184 1.00 0.00 ATOM 1202 O GLY A 157 -0.320 23.889 12.711 1.00 0.00 ATOM 1203 C GLY A 157 -0.903 24.838 12.169 1.00 0.00 ATOM 1204 N VAL A 158 -2.163 25.168 12.433 1.00 0.00 ATOM 1205 CA VAL A 158 -2.995 24.383 13.337 1.00 0.00 ATOM 1206 CB VAL A 158 -4.418 24.978 13.473 1.00 0.00 ATOM 1207 CG1 VAL A 158 -5.326 24.037 14.268 1.00 0.00 ATOM 1208 CG2 VAL A 158 -4.358 26.303 14.154 1.00 0.00 ATOM 1209 O VAL A 158 -3.005 21.996 13.705 1.00 0.00 ATOM 1210 C VAL A 158 -3.080 22.917 12.880 1.00 0.00 ATOM 1211 N ASP A 159 -3.200 22.711 11.565 1.00 0.00 ATOM 1212 CA ASP A 159 -3.237 21.360 11.000 1.00 0.00 ATOM 1213 CB ASP A 159 -3.508 21.395 9.498 1.00 0.00 ATOM 1214 CG ASP A 159 -4.960 21.757 9.136 1.00 0.00 ATOM 1215 OD1 ASP A 159 -5.826 21.935 10.026 1.00 0.00 ATOM 1216 OD2 ASP A 159 -5.218 21.864 7.916 1.00 0.00 ATOM 1217 O ASP A 159 -1.898 19.432 11.513 1.00 0.00 ATOM 1218 C ASP A 159 -1.914 20.635 11.221 1.00 0.00 ATOM 1219 N TRP A 160 -0.796 21.350 11.048 1.00 0.00 ATOM 1220 CA TRP A 160 0.521 20.755 11.312 1.00 0.00 ATOM 1221 CB TRP A 160 1.666 21.695 10.889 1.00 0.00 ATOM 1222 CG TRP A 160 3.036 21.091 11.206 1.00 0.00 ATOM 1223 CD1 TRP A 160 3.745 20.224 10.430 1.00 0.00 ATOM 1224 CD2 TRP A 160 3.806 21.275 12.409 1.00 0.00 ATOM 1225 CE2 TRP A 160 4.981 20.500 12.271 1.00 0.00 ATOM 1226 CE3 TRP A 160 3.619 22.028 13.582 1.00 0.00 ATOM 1227 NE1 TRP A 160 4.917 19.876 11.051 1.00 0.00 ATOM 1228 CZ2 TRP A 160 5.976 20.459 13.252 1.00 0.00 ATOM 1229 CZ3 TRP A 160 4.600 21.985 14.566 1.00 0.00 ATOM 1230 CH2 TRP A 160 5.771 21.194 14.397 1.00 0.00 ATOM 1231 O TRP A 160 1.211 19.325 13.143 1.00 0.00 ATOM 1232 C TRP A 160 0.690 20.404 12.792 1.00 0.00 ATOM 1233 N LEU A 161 0.262 21.328 13.649 1.00 0.00 ATOM 1234 CA LEU A 161 0.369 21.161 15.098 1.00 0.00 ATOM 1235 CB LEU A 161 -0.121 22.433 15.820 1.00 0.00 ATOM 1236 CG LEU A 161 0.457 22.739 17.202 1.00 0.00 ATOM 1237 CD1 LEU A 161 2.007 22.803 17.194 1.00 0.00 ATOM 1238 CD2 LEU A 161 -0.118 24.010 17.696 1.00 0.00 ATOM 1239 O LEU A 161 0.091 19.109 16.297 1.00 0.00 ATOM 1240 C LEU A 161 -0.424 19.935 15.564 1.00 0.00 ATOM 1241 N GLN A 162 -1.671 19.839 15.107 1.00 0.00 ATOM 1242 CA GLN A 162 -2.547 18.703 15.410 1.00 0.00 ATOM 1243 CB GLN A 162 -3.915 18.877 14.727 1.00 0.00 ATOM 1244 CG GLN A 162 -4.818 17.623 14.823 1.00 0.00 ATOM 1245 CD GLN A 162 -6.287 17.915 14.634 1.00 0.00 ATOM 1246 OE1 GLN A 162 -6.781 18.989 15.005 1.00 0.00 ATOM 1247 NE2 GLN A 162 -7.008 16.949 14.072 1.00 0.00 ATOM 1248 O GLN A 162 -2.046 16.391 15.756 1.00 0.00 ATOM 1249 C GLN A 162 -1.937 17.352 15.013 1.00 0.00 ATOM 1250 N ASP A 163 -1.309 17.291 13.839 1.00 0.00 ATOM 1251 CA ASP A 163 -0.617 16.074 13.398 1.00 0.00 ATOM 1252 CB ASP A 163 -0.022 16.248 11.994 1.00 0.00 ATOM 1253 CG ASP A 163 -1.081 16.354 10.919 1.00 0.00 ATOM 1254 OD1 ASP A 163 -2.283 16.288 11.254 1.00 0.00 ATOM 1255 OD2 ASP A 163 -0.713 16.506 9.730 1.00 0.00 ATOM 1256 O ASP A 163 0.605 14.515 14.723 1.00 0.00 ATOM 1257 C ASP A 163 0.487 15.676 14.373 1.00 0.00 ATOM 1258 N GLN A 164 1.282 16.650 14.815 1.00 0.00 ATOM 1259 CA GLN A 164 2.370 16.393 15.764 1.00 0.00 ATOM 1260 CB GLN A 164 3.193 17.666 16.004 1.00 0.00 ATOM 1261 CG GLN A 164 3.934 18.171 14.777 1.00 0.00 ATOM 1262 CD GLN A 164 4.931 17.161 14.218 1.00 0.00 ATOM 1263 OE1 GLN A 164 4.968 16.909 13.010 1.00 0.00 ATOM 1264 NE2 GLN A 164 5.746 16.582 15.099 1.00 0.00 ATOM 1265 O GLN A 164 2.606 15.107 17.774 1.00 0.00 ATOM 1266 C GLN A 164 1.884 15.839 17.109 1.00 0.00 ATOM 1267 N ILE A 165 0.662 16.203 17.492 1.00 0.00 ATOM 1268 CA ILE A 165 0.035 15.758 18.747 1.00 0.00 ATOM 1269 CB ILE A 165 -0.712 16.948 19.419 1.00 0.00 ATOM 1270 CG1 ILE A 165 0.291 18.038 19.844 1.00 0.00 ATOM 1271 CG2 ILE A 165 -1.513 16.473 20.608 1.00 0.00 ATOM 1272 CD1 ILE A 165 -0.303 19.419 19.899 1.00 0.00 ATOM 1273 O ILE A 165 -0.620 13.423 18.693 1.00 0.00 ATOM 1274 C ILE A 165 -0.951 14.601 18.499 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_90790357.pdb -s /var/tmp/to_scwrl_90790357.seq -o /var/tmp/from_scwrl_90790357.pdb > /var/tmp/scwrl_90790357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90790357.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 147 # 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 = -88.333 # GDT_score(maxd=8.000,maxw=2.900)= -91.296 # GDT_score(maxd=8.000,maxw=3.200)= -89.031 # GDT_score(maxd=8.000,maxw=3.500)= -86.519 # GDT_score(maxd=10.000,maxw=3.800)= -87.839 # GDT_score(maxd=10.000,maxw=4.000)= -86.107 # GDT_score(maxd=10.000,maxw=4.200)= -84.308 # GDT_score(maxd=12.000,maxw=4.300)= -86.650 # GDT_score(maxd=12.000,maxw=4.500)= -84.897 # GDT_score(maxd=12.000,maxw=4.700)= -83.034 # GDT_score(maxd=14.000,maxw=5.200)= -81.066 # GDT_score(maxd=14.000,maxw=5.500)= -77.981 # command:# request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1700814747.pdb -s /var/tmp/to_scwrl_1700814747.seq -o /var/tmp/from_scwrl_1700814747.pdb > /var/tmp/scwrl_1700814747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700814747.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 134 # 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 = -90.000 # GDT_score(maxd=8.000,maxw=2.900)= -94.145 # GDT_score(maxd=8.000,maxw=3.200)= -91.755 # GDT_score(maxd=8.000,maxw=3.500)= -88.834 # GDT_score(maxd=10.000,maxw=3.800)= -89.985 # GDT_score(maxd=10.000,maxw=4.000)= -88.006 # GDT_score(maxd=10.000,maxw=4.200)= -85.855 # GDT_score(maxd=12.000,maxw=4.300)= -88.381 # GDT_score(maxd=12.000,maxw=4.500)= -86.289 # GDT_score(maxd=12.000,maxw=4.700)= -84.074 # GDT_score(maxd=14.000,maxw=5.200)= -81.770 # GDT_score(maxd=14.000,maxw=5.500)= -78.512 # command:# request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1432248798.pdb -s /var/tmp/to_scwrl_1432248798.seq -o /var/tmp/from_scwrl_1432248798.pdb > /var/tmp/scwrl_1432248798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432248798.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 147 # 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 = -88.485 # GDT_score(maxd=8.000,maxw=2.900)= -91.256 # GDT_score(maxd=8.000,maxw=3.200)= -89.048 # GDT_score(maxd=8.000,maxw=3.500)= -86.530 # GDT_score(maxd=10.000,maxw=3.800)= -87.848 # GDT_score(maxd=10.000,maxw=4.000)= -86.170 # GDT_score(maxd=10.000,maxw=4.200)= -84.433 # GDT_score(maxd=12.000,maxw=4.300)= -86.720 # GDT_score(maxd=12.000,maxw=4.500)= -85.031 # GDT_score(maxd=12.000,maxw=4.700)= -83.216 # GDT_score(maxd=14.000,maxw=5.200)= -81.322 # GDT_score(maxd=14.000,maxw=5.500)= -78.343 # command:# request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1806566292.pdb -s /var/tmp/to_scwrl_1806566292.seq -o /var/tmp/from_scwrl_1806566292.pdb > /var/tmp/scwrl_1806566292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806566292.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 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.848 # GDT_score = -60.758 # GDT_score(maxd=8.000,maxw=2.900)= -62.602 # GDT_score(maxd=8.000,maxw=3.200)= -60.328 # GDT_score(maxd=8.000,maxw=3.500)= -57.781 # GDT_score(maxd=10.000,maxw=3.800)= -60.247 # GDT_score(maxd=10.000,maxw=4.000)= -58.486 # GDT_score(maxd=10.000,maxw=4.200)= -56.700 # GDT_score(maxd=12.000,maxw=4.300)= -59.789 # GDT_score(maxd=12.000,maxw=4.500)= -58.031 # GDT_score(maxd=12.000,maxw=4.700)= -56.311 # GDT_score(maxd=14.000,maxw=5.200)= -55.325 # GDT_score(maxd=14.000,maxw=5.500)= -52.956 # command:# request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2130571583.pdb -s /var/tmp/to_scwrl_2130571583.seq -o /var/tmp/from_scwrl_2130571583.pdb > /var/tmp/scwrl_2130571583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130571583.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 T0308.try1-opt2.pdb looking for model 1 # Found a chain break before 147 # 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 = -88.485 # GDT_score(maxd=8.000,maxw=2.900)= -91.244 # GDT_score(maxd=8.000,maxw=3.200)= -89.037 # GDT_score(maxd=8.000,maxw=3.500)= -86.522 # GDT_score(maxd=10.000,maxw=3.800)= -87.840 # GDT_score(maxd=10.000,maxw=4.000)= -86.162 # GDT_score(maxd=10.000,maxw=4.200)= -84.426 # GDT_score(maxd=12.000,maxw=4.300)= -86.712 # GDT_score(maxd=12.000,maxw=4.500)= -85.024 # GDT_score(maxd=12.000,maxw=4.700)= -83.209 # GDT_score(maxd=14.000,maxw=5.200)= -81.323 # GDT_score(maxd=14.000,maxw=5.500)= -78.342 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0308.try1-real.pdb for output Error: Couldn't open file T0308.try1-real.pdb for output superimposing iter= 0 total_weight= 1934.000 rmsd (weighted)= 2.479 (unweighted)= 9.524 superimposing iter= 1 total_weight= 7024.241 rmsd (weighted)= 0.889 (unweighted)= 9.533 superimposing iter= 2 total_weight= 2808.061 rmsd (weighted)= 0.581 (unweighted)= 9.533 superimposing iter= 3 total_weight= 1677.877 rmsd (weighted)= 0.499 (unweighted)= 9.533 superimposing iter= 4 total_weight= 1468.516 rmsd (weighted)= 0.460 (unweighted)= 9.533 superimposing iter= 5 total_weight= 1365.536 rmsd (weighted)= 0.441 (unweighted)= 9.533 EXPDTA T0308.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0308.try1-opt2.pdb ATOM 1 N GLU A 1 -5.730 18.896 27.747 1.00 0.00 ATOM 2 CA GLU A 1 -5.598 19.577 26.465 1.00 0.00 ATOM 3 CB GLU A 1 -6.211 20.977 26.536 1.00 0.00 ATOM 4 CG GLU A 1 -7.713 20.985 26.763 1.00 0.00 ATOM 5 CD GLU A 1 -8.081 20.944 28.233 1.00 0.00 ATOM 6 OE1 GLU A 1 -7.159 20.884 29.074 1.00 0.00 ATOM 7 OE2 GLU A 1 -9.290 20.972 28.545 1.00 0.00 ATOM 8 O GLU A 1 -3.269 19.530 26.981 1.00 0.00 ATOM 9 C GLU A 1 -4.120 19.709 26.115 1.00 0.00 ATOM 10 N VAL A 2 -3.823 20.035 24.862 1.00 0.00 ATOM 11 CA VAL A 2 -2.431 20.200 24.441 1.00 0.00 ATOM 12 CB VAL A 2 -2.288 20.060 22.914 1.00 0.00 ATOM 13 CG1 VAL A 2 -0.850 20.316 22.489 1.00 0.00 ATOM 14 CG2 VAL A 2 -2.679 18.660 22.468 1.00 0.00 ATOM 15 O VAL A 2 -2.602 22.570 24.574 1.00 0.00 ATOM 16 C VAL A 2 -1.948 21.578 24.866 1.00 0.00 ATOM 17 N HIS A 3 -0.816 21.645 25.563 1.00 0.00 ATOM 18 CA HIS A 3 -0.329 22.919 26.059 1.00 0.00 ATOM 19 CB HIS A 3 0.484 22.728 27.341 1.00 0.00 ATOM 20 CG HIS A 3 -0.303 22.146 28.475 1.00 0.00 ATOM 21 CD2 HIS A 3 -0.398 20.840 29.111 1.00 0.00 ATOM 22 ND1 HIS A 3 -1.207 22.884 29.208 1.00 0.00 ATOM 23 CE1 HIS A 3 -1.753 22.095 30.152 1.00 0.00 ATOM 24 NE2 HIS A 3 -1.271 20.869 30.099 1.00 0.00 ATOM 25 O HIS A 3 1.633 23.080 24.708 1.00 0.00 ATOM 26 C HIS A 3 0.562 23.588 25.036 1.00 0.00 ATOM 27 N VAL A 4 0.134 24.757 24.577 1.00 0.00 ATOM 28 CA VAL A 4 0.849 25.525 23.559 1.00 0.00 ATOM 29 CB VAL A 4 -0.023 25.733 22.296 1.00 0.00 ATOM 30 CG1 VAL A 4 0.729 26.612 21.293 1.00 0.00 ATOM 31 CG2 VAL A 4 -0.364 24.371 21.663 1.00 0.00 ATOM 32 O VAL A 4 0.442 27.591 24.725 1.00 0.00 ATOM 33 C VAL A 4 1.271 26.860 24.146 1.00 0.00 ATOM 34 N LEU A 5 2.555 27.183 23.999 1.00 0.00 ATOM 35 CA LEU A 5 3.061 28.496 24.384 1.00 0.00 ATOM 36 CB LEU A 5 4.386 28.359 25.137 1.00 0.00 ATOM 37 CG LEU A 5 5.062 29.664 25.563 1.00 0.00 ATOM 38 CD1 LEU A 5 4.209 30.405 26.580 1.00 0.00 ATOM 39 CD2 LEU A 5 6.419 29.387 26.190 1.00 0.00 ATOM 40 O LEU A 5 4.153 29.043 22.324 1.00 0.00 ATOM 41 C LEU A 5 3.308 29.370 23.158 1.00 0.00 ATOM 42 N CYS A 6 2.571 30.491 23.053 1.00 0.00 ATOM 43 CA CYS A 6 2.766 31.406 21.932 1.00 0.00 ATOM 44 CB CYS A 6 1.405 31.891 21.428 1.00 0.00 ATOM 45 SG CYS A 6 1.489 32.992 19.996 1.00 0.00 ATOM 46 O CYS A 6 3.159 33.404 23.216 1.00 0.00 ATOM 47 C CYS A 6 3.580 32.613 22.371 1.00 0.00 ATOM 48 N LEU A 7 4.765 32.735 21.787 1.00 0.00 ATOM 49 CA LEU A 7 5.694 33.797 22.158 1.00 0.00 ATOM 50 CB LEU A 7 6.906 33.223 22.851 1.00 0.00 ATOM 51 CG LEU A 7 6.642 32.480 24.165 1.00 0.00 ATOM 52 CD1 LEU A 7 7.965 31.929 24.713 1.00 0.00 ATOM 53 CD2 LEU A 7 5.998 33.428 25.172 1.00 0.00 ATOM 54 O LEU A 7 5.934 33.971 19.766 1.00 0.00 ATOM 55 C LEU A 7 6.264 34.410 20.874 1.00 0.00 ATOM 56 N GLY A 8 7.117 35.420 21.034 1.00 0.00 ATOM 57 CA GLY A 8 7.597 36.238 19.935 1.00 0.00 ATOM 58 O GLY A 8 7.366 37.969 21.562 1.00 0.00 ATOM 59 C GLY A 8 7.778 37.650 20.444 1.00 0.00 ATOM 60 N LEU A 9 8.388 38.522 19.669 1.00 0.00 ATOM 61 CA LEU A 9 8.614 39.901 20.063 1.00 0.00 ATOM 62 CB LEU A 9 9.441 40.652 19.017 1.00 0.00 ATOM 63 CG LEU A 9 10.884 40.184 18.831 1.00 0.00 ATOM 64 CD1 LEU A 9 11.542 40.918 17.672 1.00 0.00 ATOM 65 CD2 LEU A 9 11.702 40.449 20.086 1.00 0.00 ATOM 66 O LEU A 9 6.284 40.241 19.608 1.00 0.00 ATOM 67 C LEU A 9 7.297 40.644 20.177 1.00 0.00 ATOM 68 N ASP A 10 7.304 41.733 20.935 1.00 0.00 ATOM 69 CA ASP A 10 6.120 42.563 21.082 1.00 0.00 ATOM 70 CB ASP A 10 6.408 43.804 21.929 1.00 0.00 ATOM 71 CG ASP A 10 5.151 44.580 22.271 1.00 0.00 ATOM 72 OD1 ASP A 10 4.051 44.126 21.894 1.00 0.00 ATOM 73 OD2 ASP A 10 5.267 45.642 22.918 1.00 0.00 ATOM 74 O ASP A 10 6.671 43.094 18.796 1.00 0.00 ATOM 75 C ASP A 10 5.786 42.993 19.653 1.00 0.00 ATOM 76 N ASN A 11 4.506 43.251 19.412 1.00 0.00 ATOM 77 CA ASN A 11 3.977 43.727 18.131 1.00 0.00 ATOM 78 CB ASN A 11 4.834 44.874 17.590 1.00 0.00 ATOM 79 CG ASN A 11 4.734 46.127 18.439 1.00 0.00 ATOM 80 ND2 ASN A 11 5.788 46.934 18.430 1.00 0.00 ATOM 81 OD1 ASN A 11 3.717 46.364 19.092 1.00 0.00 ATOM 82 O ASN A 11 3.541 43.011 15.888 1.00 0.00 ATOM 83 C ASN A 11 3.925 42.684 17.014 1.00 0.00 ATOM 84 N SER A 12 4.281 41.433 17.317 1.00 0.00 ATOM 85 CA SER A 12 4.366 40.396 16.286 1.00 0.00 ATOM 86 CB SER A 12 5.160 39.194 16.799 1.00 0.00 ATOM 87 OG SER A 12 4.471 38.539 17.852 1.00 0.00 ATOM 88 O SER A 12 2.890 39.257 14.795 1.00 0.00 ATOM 89 C SER A 12 2.996 39.880 15.848 1.00 0.00 ATOM 90 N GLY A 13 1.955 40.121 16.651 1.00 0.00 ATOM 91 CA GLY A 13 0.606 39.697 16.295 1.00 0.00 ATOM 92 O GLY A 13 -1.015 37.996 16.738 1.00 0.00 ATOM 93 C GLY A 13 0.030 38.533 17.096 1.00 0.00 ATOM 94 N LYS A 14 0.702 38.156 18.188 1.00 0.00 ATOM 95 CA LYS A 14 0.280 37.023 19.025 1.00 0.00 ATOM 96 CB LYS A 14 1.031 37.442 20.510 1.00 0.00 ATOM 97 CG LYS A 14 2.199 38.425 20.396 1.00 0.00 ATOM 98 CD LYS A 14 2.523 39.042 21.727 1.00 0.00 ATOM 99 CE LYS A 14 1.797 40.307 22.120 1.00 0.00 ATOM 100 NZ LYS A 14 2.474 40.882 23.336 1.00 0.00 ATOM 101 O LYS A 14 -1.906 36.133 19.478 1.00 0.00 ATOM 102 C LYS A 14 -1.142 37.100 19.580 1.00 0.00 ATOM 103 N THR A 15 -1.494 38.244 20.173 1.00 0.00 ATOM 104 CA THR A 15 -2.824 38.436 20.742 1.00 0.00 ATOM 105 CB THR A 15 -2.911 39.753 21.538 1.00 0.00 ATOM 106 CG2 THR A 15 -1.909 39.751 22.681 1.00 0.00 ATOM 107 OG1 THR A 15 -2.626 40.857 20.672 1.00 0.00 ATOM 108 O THR A 15 -4.954 37.920 19.779 1.00 0.00 ATOM 109 C THR A 15 -3.872 38.480 19.636 1.00 0.00 ATOM 110 N THR A 16 -3.529 39.119 18.521 1.00 0.00 ATOM 111 CA THR A 16 -4.415 39.139 17.359 1.00 0.00 ATOM 112 CB THR A 16 -3.782 39.902 16.181 1.00 0.00 ATOM 113 CG2 THR A 16 -4.705 39.874 14.971 1.00 0.00 ATOM 114 OG1 THR A 16 -3.556 41.266 16.558 1.00 0.00 ATOM 115 O THR A 16 -5.861 37.368 16.636 1.00 0.00 ATOM 116 C THR A 16 -4.714 37.717 16.895 1.00 0.00 ATOM 117 N ILE A 17 -3.676 36.893 16.803 1.00 0.00 ATOM 118 CA ILE A 17 -3.835 35.494 16.417 1.00 0.00 ATOM 119 CB ILE A 17 -2.354 34.909 16.162 1.00 0.00 ATOM 120 CG1 ILE A 17 -1.652 35.411 14.890 1.00 0.00 ATOM 121 CG2 ILE A 17 -2.335 33.375 16.169 1.00 0.00 ATOM 122 CD1 ILE A 17 -0.158 35.114 14.864 1.00 0.00 ATOM 123 O ILE A 17 -5.500 33.847 16.973 1.00 0.00 ATOM 124 C ILE A 17 -4.670 34.655 17.400 1.00 0.00 ATOM 125 N ILE A 18 -4.410 34.836 18.700 1.00 0.00 ATOM 126 CA ILE A 18 -5.143 34.101 19.731 1.00 0.00 ATOM 127 CB ILE A 18 -4.777 34.538 21.162 1.00 0.00 ATOM 128 CG1 ILE A 18 -3.314 34.208 21.463 1.00 0.00 ATOM 129 CG2 ILE A 18 -5.652 33.821 22.178 1.00 0.00 ATOM 130 CD1 ILE A 18 -3.007 32.726 21.449 1.00 0.00 ATOM 131 O ILE A 18 -7.406 33.324 19.523 1.00 0.00 ATOM 132 C ILE A 18 -6.646 34.300 19.564 1.00 0.00 ATOM 133 N ASN A 19 -7.065 35.559 19.464 1.00 0.00 ATOM 134 CA ASN A 19 -8.492 35.852 19.415 1.00 0.00 ATOM 135 CB ASN A 19 -8.752 37.311 19.794 1.00 0.00 ATOM 136 CG ASN A 19 -8.492 37.586 21.262 1.00 0.00 ATOM 137 ND2 ASN A 19 -8.238 38.847 21.591 1.00 0.00 ATOM 138 OD1 ASN A 19 -8.519 36.674 22.089 1.00 0.00 ATOM 139 O ASN A 19 -10.296 35.257 17.965 1.00 0.00 ATOM 140 C ASN A 19 -9.104 35.542 18.060 1.00 0.00 ATOM 141 N LYS A 20 -8.291 35.619 16.997 1.00 0.00 ATOM 142 CA LYS A 20 -8.774 35.310 15.658 1.00 0.00 ATOM 143 CB LYS A 20 -7.733 35.641 14.586 1.00 0.00 ATOM 144 CG LYS A 20 -8.173 35.308 13.171 1.00 0.00 ATOM 145 CD LYS A 20 -9.348 36.170 12.739 1.00 0.00 ATOM 146 CE LYS A 20 -9.709 35.923 11.283 1.00 0.00 ATOM 147 NZ LYS A 20 -10.875 36.745 10.855 1.00 0.00 ATOM 148 O LYS A 20 -10.091 33.360 15.176 1.00 0.00 ATOM 149 C LYS A 20 -9.044 33.805 15.645 1.00 0.00 ATOM 150 N LEU A 21 -8.099 33.026 16.169 1.00 0.00 ATOM 151 CA LEU A 21 -8.290 31.587 16.282 1.00 0.00 ATOM 152 CB LEU A 21 -7.067 30.934 16.932 1.00 0.00 ATOM 153 CG LEU A 21 -5.789 30.902 16.091 1.00 0.00 ATOM 154 CD1 LEU A 21 -4.614 30.407 16.919 1.00 0.00 ATOM 155 CD2 LEU A 21 -5.954 29.974 14.896 1.00 0.00 ATOM 156 O LEU A 21 -10.335 30.431 16.715 1.00 0.00 ATOM 157 C LEU A 21 -9.515 31.251 17.122 1.00 0.00 ATOM 158 N LYS A 22 -9.641 31.879 18.293 1.00 0.00 ATOM 159 CA LYS A 22 -10.695 31.512 19.237 1.00 0.00 ATOM 160 CB LYS A 22 -10.362 32.042 20.632 1.00 0.00 ATOM 161 CG LYS A 22 -11.353 31.627 21.707 1.00 0.00 ATOM 162 CD LYS A 22 -11.323 30.124 21.934 1.00 0.00 ATOM 163 CE LYS A 22 -12.239 29.720 23.078 1.00 0.00 ATOM 164 NZ LYS A 22 -12.243 28.247 23.291 1.00 0.00 ATOM 165 O LYS A 22 -13.076 31.353 18.920 1.00 0.00 ATOM 166 C LYS A 22 -12.065 32.066 18.855 1.00 0.00 ATOM 167 N PRO A 23 -12.092 33.328 18.449 1.00 0.00 ATOM 168 CA PRO A 23 -13.354 34.048 18.309 1.00 0.00 ATOM 169 CB PRO A 23 -13.112 35.366 19.048 1.00 0.00 ATOM 170 CG PRO A 23 -11.663 35.651 18.837 1.00 0.00 ATOM 171 CD PRO A 23 -10.967 34.320 18.862 1.00 0.00 ATOM 172 O PRO A 23 -14.923 34.734 16.639 1.00 0.00 ATOM 173 C PRO A 23 -13.782 34.336 16.881 1.00 0.00 ATOM 174 N SER A 24 -12.849 34.197 15.938 1.00 0.00 ATOM 175 CA SER A 24 -13.136 34.469 14.537 1.00 0.00 ATOM 176 CB SER A 24 -14.435 33.781 14.113 1.00 0.00 ATOM 177 OG SER A 24 -14.351 32.377 14.291 1.00 0.00 ATOM 178 O SER A 24 -13.913 36.326 13.236 1.00 0.00 ATOM 179 C SER A 24 -13.285 35.945 14.231 1.00 0.00 ATOM 180 N ASN A 25 -12.691 36.780 15.078 1.00 0.00 ATOM 181 CA ASN A 25 -12.734 38.220 14.888 1.00 0.00 ATOM 182 CB ASN A 25 -13.711 38.853 15.881 1.00 0.00 ATOM 183 CG ASN A 25 -15.153 38.471 15.602 1.00 0.00 ATOM 184 ND2 ASN A 25 -15.708 37.607 16.443 1.00 0.00 ATOM 185 OD1 ASN A 25 -15.756 38.949 14.641 1.00 0.00 ATOM 186 O ASN A 25 -10.524 38.248 15.813 1.00 0.00 ATOM 187 C ASN A 25 -11.377 38.841 15.139 1.00 0.00 ATOM 188 N ALA A 26 -11.181 40.032 14.587 1.00 0.00 ATOM 189 CA ALA A 26 -9.968 40.799 14.835 1.00 0.00 ATOM 190 CB ALA A 26 -9.568 41.559 13.580 1.00 0.00 ATOM 191 O ALA A 26 -10.999 42.711 15.840 1.00 0.00 ATOM 192 C ALA A 26 -10.206 41.784 15.964 1.00 0.00 ATOM 193 N GLN A 27 -9.530 41.556 17.077 1.00 0.00 ATOM 194 CA GLN A 27 -9.735 42.342 18.288 1.00 0.00 ATOM 195 CB GLN A 27 -10.529 41.541 19.321 1.00 0.00 ATOM 196 CG GLN A 27 -10.821 42.299 20.606 1.00 0.00 ATOM 197 CD GLN A 27 -11.621 41.479 21.598 1.00 0.00 ATOM 198 OE1 GLN A 27 -11.855 40.290 21.389 1.00 0.00 ATOM 199 NE2 GLN A 27 -12.044 42.116 22.684 1.00 0.00 ATOM 200 O GLN A 27 -7.605 41.804 19.243 1.00 0.00 ATOM 201 C GLN A 27 -8.361 42.691 18.830 1.00 0.00 ATOM 202 N SER A 28 -7.999 43.966 18.770 1.00 0.00 ATOM 203 CA SER A 28 -6.710 44.389 19.302 1.00 0.00 ATOM 204 CB SER A 28 -5.963 45.267 18.292 1.00 0.00 ATOM 205 OG SER A 28 -6.660 46.471 18.019 1.00 0.00 ATOM 206 O SER A 28 -8.011 45.734 20.795 1.00 0.00 ATOM 207 C SER A 28 -6.964 45.111 20.619 1.00 0.00 ATOM 208 N GLN A 29 -6.109 44.940 21.559 1.00 0.00 ATOM 209 CA GLN A 29 -6.242 45.627 22.841 1.00 0.00 ATOM 210 CB GLN A 29 -6.936 44.645 23.785 1.00 0.00 ATOM 211 CG GLN A 29 -7.172 45.191 25.185 1.00 0.00 ATOM 212 CD GLN A 29 -7.990 44.251 26.049 1.00 0.00 ATOM 213 OE1 GLN A 29 -8.287 43.127 25.647 1.00 0.00 ATOM 214 NE2 GLN A 29 -8.356 44.710 27.239 1.00 0.00 ATOM 215 O GLN A 29 -3.878 45.442 23.146 1.00 0.00 ATOM 216 C GLN A 29 -4.920 46.025 23.448 1.00 0.00 ATOM 217 N ASN A 30 -4.938 47.039 24.311 1.00 0.00 ATOM 218 CA ASN A 30 -3.717 47.500 24.955 1.00 0.00 ATOM 219 CB ASN A 30 -4.009 48.691 25.869 1.00 0.00 ATOM 220 CG ASN A 30 -4.297 49.962 25.094 1.00 0.00 ATOM 221 ND2 ASN A 30 -4.946 50.918 25.748 1.00 0.00 ATOM 222 OD1 ASN A 30 -3.938 50.082 23.923 1.00 0.00 ATOM 223 O ASN A 30 -1.871 46.232 25.793 1.00 0.00 ATOM 224 C ASN A 30 -3.081 46.406 25.810 1.00 0.00 ATOM 225 N ILE A 31 -3.889 45.698 26.593 1.00 0.00 ATOM 226 CA ILE A 31 -3.374 44.644 27.458 1.00 0.00 ATOM 227 CB ILE A 31 -4.506 43.943 28.233 1.00 0.00 ATOM 228 CG1 ILE A 31 -5.126 44.900 29.253 1.00 0.00 ATOM 229 CG2 ILE A 31 -3.971 42.728 28.974 1.00 0.00 ATOM 230 CD1 ILE A 31 -6.411 44.388 29.869 1.00 0.00 ATOM 231 O ILE A 31 -1.566 43.120 27.063 1.00 0.00 ATOM 232 C ILE A 31 -2.640 43.565 26.659 1.00 0.00 ATOM 233 N LEU A 32 -3.262 43.188 25.451 1.00 0.00 ATOM 234 CA LEU A 32 -2.649 42.153 24.618 1.00 0.00 ATOM 235 CB LEU A 32 -3.546 41.827 23.423 1.00 0.00 ATOM 236 CG LEU A 32 -4.857 41.103 23.736 1.00 0.00 ATOM 237 CD1 LEU A 32 -5.727 41.003 22.493 1.00 0.00 ATOM 238 CD2 LEU A 32 -4.584 39.693 24.239 1.00 0.00 ATOM 239 O LEU A 32 -0.321 41.858 24.035 1.00 0.00 ATOM 240 C LEU A 32 -1.291 42.626 24.082 1.00 0.00 ATOM 241 N PRO A 33 -1.238 43.920 23.742 1.00 0.00 ATOM 242 CA PRO A 33 0.022 44.481 23.241 1.00 0.00 ATOM 243 CB PRO A 33 -0.431 45.958 22.960 1.00 0.00 ATOM 244 CG PRO A 33 -1.901 45.767 22.480 1.00 0.00 ATOM 245 CD PRO A 33 -2.413 44.725 23.480 1.00 0.00 ATOM 246 O PRO A 33 2.311 44.234 23.889 1.00 0.00 ATOM 247 C PRO A 33 1.135 44.446 24.258 1.00 0.00 ATOM 248 N THR A 34 0.779 44.667 25.547 1.00 0.00 ATOM 249 CA THR A 34 1.770 44.680 26.601 1.00 0.00 ATOM 250 CB THR A 34 2.215 46.120 26.916 1.00 0.00 ATOM 251 CG2 THR A 34 2.715 46.810 25.656 1.00 0.00 ATOM 252 OG1 THR A 34 1.107 46.861 27.442 1.00 0.00 ATOM 253 O THR A 34 -0.053 44.564 28.145 1.00 0.00 ATOM 254 C THR A 34 1.118 44.279 27.917 1.00 0.00 ATOM 255 N ILE A 35 1.925 43.684 28.790 1.00 0.00 ATOM 256 CA ILE A 35 1.473 43.401 30.165 1.00 0.00 ATOM 257 CB ILE A 35 1.056 44.376 31.093 1.00 0.00 ATOM 258 CG1 ILE A 35 0.755 43.657 32.407 1.00 0.00 ATOM 259 CG2 ILE A 35 -0.142 45.228 30.686 1.00 0.00 ATOM 260 CD1 ILE A 35 1.909 42.831 32.941 1.00 0.00 ATOM 261 O ILE A 35 -0.432 41.954 30.193 1.00 0.00 ATOM 262 C ILE A 35 0.762 42.088 30.439 1.00 0.00 ATOM 263 N GLY A 36 1.538 40.785 31.103 1.00 0.00 ATOM 264 CA GLY A 36 0.937 39.526 31.477 1.00 0.00 ATOM 265 O GLY A 36 1.638 38.207 29.606 1.00 0.00 ATOM 266 C GLY A 36 0.739 38.480 30.394 1.00 0.00 ATOM 267 N PHE A 37 -0.469 37.934 30.328 1.00 0.00 ATOM 268 CA PHE A 37 -0.807 36.933 29.324 1.00 0.00 ATOM 269 CB PHE A 37 -0.396 35.538 29.799 1.00 0.00 ATOM 270 CG PHE A 37 -1.128 35.076 31.026 1.00 0.00 ATOM 271 CD1 PHE A 37 -2.287 34.328 30.917 1.00 0.00 ATOM 272 CD2 PHE A 37 -0.657 35.388 32.289 1.00 0.00 ATOM 273 CE1 PHE A 37 -2.961 33.903 32.048 1.00 0.00 ATOM 274 CE2 PHE A 37 -1.329 34.965 33.419 1.00 0.00 ATOM 275 CZ PHE A 37 -2.476 34.223 33.302 1.00 0.00 ATOM 276 O PHE A 37 -3.104 37.379 29.868 1.00 0.00 ATOM 277 C PHE A 37 -2.300 36.920 29.048 1.00 0.00 ATOM 278 N SER A 38 -2.656 36.354 27.897 1.00 0.00 ATOM 279 CA SER A 38 -4.039 36.004 27.594 1.00 0.00 ATOM 280 CB SER A 38 -4.374 36.487 26.205 1.00 0.00 ATOM 281 OG SER A 38 -5.708 36.150 25.895 1.00 0.00 ATOM 282 O SER A 38 -3.063 33.921 26.930 1.00 0.00 ATOM 283 C SER A 38 -4.066 34.504 27.346 1.00 0.00 ATOM 284 N ILE A 39 -5.205 33.872 27.608 1.00 0.00 ATOM 285 CA ILE A 39 -5.325 32.428 27.400 1.00 0.00 ATOM 286 CB ILE A 39 -5.068 31.653 28.705 1.00 0.00 ATOM 287 CG1 ILE A 39 -5.204 30.152 28.437 1.00 0.00 ATOM 288 CG2 ILE A 39 -6.008 32.122 29.806 1.00 0.00 ATOM 289 CD1 ILE A 39 -4.781 29.271 29.609 1.00 0.00 ATOM 290 O ILE A 39 -7.724 32.574 27.388 1.00 0.00 ATOM 291 C ILE A 39 -6.720 32.053 26.894 1.00 0.00 ATOM 292 N GLU A 40 -6.681 31.032 25.946 1.00 0.00 ATOM 293 CA GLU A 40 -7.934 30.473 25.445 1.00 0.00 ATOM 294 CB GLU A 40 -8.389 31.230 24.201 1.00 0.00 ATOM 295 CG GLU A 40 -8.774 32.697 24.446 1.00 0.00 ATOM 296 CD GLU A 40 -9.902 32.881 25.473 1.00 0.00 ATOM 297 OE1 GLU A 40 -10.805 32.014 25.554 1.00 0.00 ATOM 298 OE2 GLU A 40 -9.891 33.910 26.194 1.00 0.00 ATOM 299 O GLU A 40 -6.552 28.717 24.607 1.00 0.00 ATOM 300 C GLU A 40 -7.665 29.044 25.035 1.00 0.00 ATOM 301 N LYS A 41 -8.687 28.204 25.146 1.00 0.00 ATOM 302 CA LYS A 41 -8.632 26.869 24.588 1.00 0.00 ATOM 303 CB LYS A 41 -8.935 25.804 25.695 1.00 0.00 ATOM 304 CG LYS A 41 -10.428 25.575 25.963 1.00 0.00 ATOM 305 CD LYS A 41 -10.667 24.419 26.953 1.00 0.00 ATOM 306 CE LYS A 41 -10.187 24.779 28.363 1.00 0.00 ATOM 307 NZ LYS A 41 -10.380 23.672 29.366 1.00 0.00 ATOM 308 O LYS A 41 -10.451 27.298 23.098 1.00 0.00 ATOM 309 C LYS A 41 -9.312 26.860 23.231 1.00 0.00 ATOM 310 N PHE A 42 -8.570 26.406 22.226 1.00 0.00 ATOM 311 CA PHE A 42 -9.051 26.320 20.857 1.00 0.00 ATOM 312 CB PHE A 42 -8.052 26.972 19.891 1.00 0.00 ATOM 313 CG PHE A 42 -8.446 26.875 18.440 1.00 0.00 ATOM 314 CD1 PHE A 42 -9.573 27.536 17.962 1.00 0.00 ATOM 315 CD2 PHE A 42 -7.680 26.128 17.550 1.00 0.00 ATOM 316 CE1 PHE A 42 -9.932 27.460 16.617 1.00 0.00 ATOM 317 CE2 PHE A 42 -8.027 26.043 16.201 1.00 0.00 ATOM 318 CZ PHE A 42 -9.155 26.709 15.733 1.00 0.00 ATOM 319 O PHE A 42 -8.196 24.105 20.543 1.00 0.00 ATOM 320 C PHE A 42 -9.166 24.865 20.439 1.00 0.00 ATOM 321 N LYS A 43 -10.340 24.496 19.982 1.00 0.00 ATOM 322 CA LYS A 43 -10.570 23.143 19.498 1.00 0.00 ATOM 323 CB LYS A 43 -11.991 22.680 19.829 1.00 0.00 ATOM 324 CG LYS A 43 -12.299 21.259 19.386 1.00 0.00 ATOM 325 CD LYS A 43 -13.709 20.850 19.784 1.00 0.00 ATOM 326 CE LYS A 43 -14.023 19.435 19.328 1.00 0.00 ATOM 327 NZ LYS A 43 -15.384 19.004 19.750 1.00 0.00 ATOM 328 O LYS A 43 -10.932 24.030 17.306 1.00 0.00 ATOM 329 C LYS A 43 -10.366 23.184 17.992 1.00 0.00 ATOM 330 N SER A 44 -9.533 22.276 17.497 1.00 0.00 ATOM 331 CA SER A 44 -9.313 22.136 16.068 1.00 0.00 ATOM 332 CB SER A 44 -7.987 22.778 15.658 1.00 0.00 ATOM 333 OG SER A 44 -7.757 22.634 14.267 1.00 0.00 ATOM 334 O SER A 44 -8.488 19.896 16.247 1.00 0.00 ATOM 335 C SER A 44 -9.275 20.662 15.697 1.00 0.00 ATOM 336 N SER A 45 -10.126 20.281 14.743 1.00 0.00 ATOM 337 CA SER A 45 -10.242 18.890 14.280 1.00 0.00 ATOM 338 CB SER A 45 -9.032 18.503 13.428 1.00 0.00 ATOM 339 OG SER A 45 -8.940 19.319 12.273 1.00 0.00 ATOM 340 O SER A 45 -9.613 16.906 15.524 1.00 0.00 ATOM 341 C SER A 45 -10.315 17.931 15.468 1.00 0.00 ATOM 342 N SER A 46 -11.163 18.299 16.422 1.00 0.00 ATOM 343 CA SER A 46 -11.465 17.493 17.601 1.00 0.00 ATOM 344 CB SER A 46 -11.869 16.077 17.188 1.00 0.00 ATOM 345 OG SER A 46 -13.027 16.095 16.370 1.00 0.00 ATOM 346 O SER A 46 -10.364 16.410 19.449 1.00 0.00 ATOM 347 C SER A 46 -10.320 17.315 18.613 1.00 0.00 ATOM 348 N LEU A 47 -9.308 18.181 18.529 1.00 0.00 ATOM 349 CA LEU A 47 -8.225 18.236 19.514 1.00 0.00 ATOM 350 CB LEU A 47 -6.910 18.191 18.779 1.00 0.00 ATOM 351 CG LEU A 47 -5.652 18.295 19.634 1.00 0.00 ATOM 352 CD1 LEU A 47 -5.629 17.241 20.727 1.00 0.00 ATOM 353 CD2 LEU A 47 -4.451 18.178 18.729 1.00 0.00 ATOM 354 O LEU A 47 -8.407 20.614 19.481 1.00 0.00 ATOM 355 C LEU A 47 -8.270 19.610 20.171 1.00 0.00 ATOM 356 N SER A 48 -8.163 19.652 21.498 1.00 0.00 ATOM 357 CA SER A 48 -8.219 20.920 22.227 1.00 0.00 ATOM 358 CB SER A 48 -9.047 20.762 23.504 1.00 0.00 ATOM 359 OG SER A 48 -9.028 21.950 24.274 1.00 0.00 ATOM 360 O SER A 48 -6.062 20.662 23.243 1.00 0.00 ATOM 361 C SER A 48 -6.830 21.402 22.619 1.00 0.00 ATOM 362 N PHE A 49 -6.540 22.652 22.253 1.00 0.00 ATOM 363 CA PHE A 49 -5.259 23.304 22.538 1.00 0.00 ATOM 364 CB PHE A 49 -4.620 23.830 21.252 1.00 0.00 ATOM 365 CG PHE A 49 -4.184 22.748 20.306 1.00 0.00 ATOM 366 CD1 PHE A 49 -5.049 22.261 19.341 1.00 0.00 ATOM 367 CD2 PHE A 49 -2.908 22.215 20.379 1.00 0.00 ATOM 368 CE1 PHE A 49 -4.647 21.266 18.470 1.00 0.00 ATOM 369 CE2 PHE A 49 -2.506 21.221 19.510 1.00 0.00 ATOM 370 CZ PHE A 49 -3.371 20.746 18.557 1.00 0.00 ATOM 371 O PHE A 49 -6.142 25.415 23.133 1.00 0.00 ATOM 372 C PHE A 49 -5.446 24.475 23.477 1.00 0.00 ATOM 373 N THR A 50 -4.788 24.453 24.632 1.00 0.00 ATOM 374 CA THR A 50 -4.757 25.607 25.535 1.00 0.00 ATOM 375 CB THR A 50 -4.596 25.189 27.008 1.00 0.00 ATOM 376 CG2 THR A 50 -4.552 26.416 27.908 1.00 0.00 ATOM 377 OG1 THR A 50 -5.704 24.368 27.398 1.00 0.00 ATOM 378 O THR A 50 -2.419 26.051 25.251 1.00 0.00 ATOM 379 C THR A 50 -3.571 26.460 25.120 1.00 0.00 ATOM 380 N VAL A 51 -3.870 27.651 24.619 1.00 0.00 ATOM 381 CA VAL A 51 -2.847 28.516 24.049 1.00 0.00 ATOM 382 CB VAL A 51 -3.271 29.077 22.680 1.00 0.00 ATOM 383 CG1 VAL A 51 -2.201 30.008 22.131 1.00 0.00 ATOM 384 CG2 VAL A 51 -3.481 27.947 21.683 1.00 0.00 ATOM 385 O VAL A 51 -3.496 30.460 25.292 1.00 0.00 ATOM 386 C VAL A 51 -2.595 29.671 24.999 1.00 0.00 ATOM 387 N PHE A 52 -1.352 29.761 25.464 1.00 0.00 ATOM 388 CA PHE A 52 -0.900 30.823 26.350 1.00 0.00 ATOM 389 CB PHE A 52 0.060 30.277 27.409 1.00 0.00 ATOM 390 CG PHE A 52 -0.592 29.360 28.403 1.00 0.00 ATOM 391 CD1 PHE A 52 -0.607 27.991 28.196 1.00 0.00 ATOM 392 CD2 PHE A 52 -1.188 29.865 29.545 1.00 0.00 ATOM 393 CE1 PHE A 52 -1.208 27.147 29.111 1.00 0.00 ATOM 394 CE2 PHE A 52 -1.788 29.019 30.460 1.00 0.00 ATOM 395 CZ PHE A 52 -1.798 27.667 30.247 1.00 0.00 ATOM 396 O PHE A 52 0.894 31.614 24.983 1.00 0.00 ATOM 397 C PHE A 52 -0.185 31.866 25.521 1.00 0.00 ATOM 398 N ASP A 53 -0.814 33.033 25.410 1.00 0.00 ATOM 399 CA ASP A 53 -0.274 34.167 24.686 1.00 0.00 ATOM 400 CB ASP A 53 -1.441 34.970 24.138 1.00 0.00 ATOM 401 CG ASP A 53 -0.974 36.164 23.330 1.00 0.00 ATOM 402 OD1 ASP A 53 0.248 36.410 23.254 1.00 0.00 ATOM 403 OD2 ASP A 53 -1.848 36.859 22.770 1.00 0.00 ATOM 404 O ASP A 53 -0.264 35.765 26.469 1.00 0.00 ATOM 405 C ASP A 53 0.396 35.071 25.703 1.00 0.00 ATOM 406 N MET A 54 1.722 35.028 25.723 1.00 0.00 ATOM 407 CA MET A 54 2.494 35.696 26.767 1.00 0.00 ATOM 408 CB MET A 54 3.599 34.771 27.239 1.00 0.00 ATOM 409 CG MET A 54 4.438 35.355 28.358 1.00 0.00 ATOM 410 SD MET A 54 3.584 35.404 29.907 1.00 0.00 ATOM 411 CE MET A 54 4.701 36.391 30.909 1.00 0.00 ATOM 412 O MET A 54 3.741 36.873 25.101 1.00 0.00 ATOM 413 C MET A 54 3.180 36.932 26.192 1.00 0.00 ATOM 414 N SER A 55 3.088 38.055 26.905 1.00 0.00 ATOM 415 CA SER A 55 3.559 39.342 26.409 1.00 0.00 ATOM 416 CB SER A 55 3.404 40.421 27.483 1.00 0.00 ATOM 417 OG SER A 55 3.927 41.660 27.041 1.00 0.00 ATOM 418 O SER A 55 5.875 38.747 26.682 1.00 0.00 ATOM 419 C SER A 55 5.025 39.336 26.001 1.00 0.00 ATOM 420 N GLY A 56 5.386 40.058 24.821 1.00 0.00 ATOM 421 CA GLY A 56 6.741 40.058 24.310 1.00 0.00 ATOM 422 O GLY A 56 8.704 41.361 24.037 1.00 0.00 ATOM 423 C GLY A 56 7.577 41.309 24.521 1.00 0.00 ATOM 424 N GLN A 57 7.067 42.304 25.244 1.00 0.00 ATOM 425 CA GLN A 57 7.892 43.470 25.557 1.00 0.00 ATOM 426 CB GLN A 57 7.128 44.440 26.461 1.00 0.00 ATOM 427 CG GLN A 57 7.878 45.727 26.765 1.00 0.00 ATOM 428 CD GLN A 57 7.055 46.701 27.583 1.00 0.00 ATOM 429 OE1 GLN A 57 5.914 46.414 27.944 1.00 0.00 ATOM 430 NE2 GLN A 57 7.634 47.859 27.880 1.00 0.00 ATOM 431 O GLN A 57 9.082 42.067 27.092 1.00 0.00 ATOM 432 C GLN A 57 9.151 42.981 26.275 1.00 0.00 ATOM 433 N GLY A 58 10.389 43.572 25.956 1.00 0.00 ATOM 434 CA GLY A 58 11.642 43.070 26.505 1.00 0.00 ATOM 435 O GLY A 58 12.075 41.901 28.554 1.00 0.00 ATOM 436 C GLY A 58 11.626 42.923 28.030 1.00 0.00 ATOM 437 N ARG A 59 11.081 43.927 28.726 1.00 0.00 ATOM 438 CA ARG A 59 11.061 43.954 30.196 1.00 0.00 ATOM 439 CB ARG A 59 10.273 45.166 30.697 1.00 0.00 ATOM 440 CG ARG A 59 10.962 46.498 30.454 1.00 0.00 ATOM 441 CD ARG A 59 10.122 47.656 30.972 1.00 0.00 ATOM 442 NE ARG A 59 10.743 48.949 30.693 1.00 0.00 ATOM 443 CZ ARG A 59 10.164 50.122 30.931 1.00 0.00 ATOM 444 NH1 ARG A 59 10.805 51.247 30.644 1.00 0.00 ATOM 445 NH2 ARG A 59 8.947 50.167 31.452 1.00 0.00 ATOM 446 O ARG A 59 10.835 42.212 31.830 1.00 0.00 ATOM 447 C ARG A 59 10.406 42.707 30.782 1.00 0.00 ATOM 448 N TYR A 60 9.358 42.101 30.088 1.00 0.00 ATOM 449 CA TYR A 60 8.641 40.945 30.620 1.00 0.00 ATOM 450 CB TYR A 60 7.135 41.101 30.399 1.00 0.00 ATOM 451 CG TYR A 60 6.524 42.264 31.148 1.00 0.00 ATOM 452 CD1 TYR A 60 6.217 43.449 30.490 1.00 0.00 ATOM 453 CD2 TYR A 60 6.258 42.175 32.507 1.00 0.00 ATOM 454 CE1 TYR A 60 5.658 44.518 31.166 1.00 0.00 ATOM 455 CE2 TYR A 60 5.700 43.232 33.200 1.00 0.00 ATOM 456 CZ TYR A 60 5.400 44.410 32.516 1.00 0.00 ATOM 457 OH TYR A 60 4.844 45.473 33.191 1.00 0.00 ATOM 458 O TYR A 60 8.475 38.561 30.338 1.00 0.00 ATOM 459 C TYR A 60 9.031 39.604 29.984 1.00 0.00 ATOM 460 N ARG A 61 9.995 39.617 29.071 1.00 0.00 ATOM 461 CA ARG A 61 10.484 38.355 28.496 1.00 0.00 ATOM 462 CB ARG A 61 11.520 38.822 27.384 1.00 0.00 ATOM 463 CG ARG A 61 12.140 37.704 26.567 1.00 0.00 ATOM 464 CD ARG A 61 12.858 38.287 25.354 1.00 0.00 ATOM 465 NE ARG A 61 13.739 39.396 25.733 1.00 0.00 ATOM 466 CZ ARG A 61 13.608 40.658 25.313 1.00 0.00 ATOM 467 NH1 ARG A 61 12.638 40.983 24.461 1.00 0.00 ATOM 468 NH2 ARG A 61 14.452 41.595 25.745 1.00 0.00 ATOM 469 O ARG A 61 10.892 36.139 29.305 1.00 0.00 ATOM 470 C ARG A 61 11.019 37.342 29.526 1.00 0.00 ATOM 471 N ASN A 62 11.607 37.791 30.643 1.00 0.00 ATOM 472 CA ASN A 62 11.999 36.844 31.689 1.00 0.00 ATOM 473 CB ASN A 62 12.491 37.590 32.931 1.00 0.00 ATOM 474 CG ASN A 62 13.863 38.206 32.737 1.00 0.00 ATOM 475 ND2 ASN A 62 14.225 39.131 33.616 1.00 0.00 ATOM 476 OD1 ASN A 62 14.586 37.848 31.806 1.00 0.00 ATOM 477 O ASN A 62 11.098 34.815 32.554 1.00 0.00 ATOM 478 C ASN A 62 10.843 35.940 32.128 1.00 0.00 ATOM 479 N LEU A 63 9.604 36.421 32.012 1.00 0.00 ATOM 480 CA LEU A 63 8.436 35.689 32.499 1.00 0.00 ATOM 481 CB LEU A 63 7.223 36.616 32.592 1.00 0.00 ATOM 482 CG LEU A 63 7.326 37.771 33.590 1.00 0.00 ATOM 483 CD1 LEU A 63 6.103 38.670 33.500 1.00 0.00 ATOM 484 CD2 LEU A 63 7.426 37.245 35.013 1.00 0.00 ATOM 485 O LEU A 63 7.251 33.667 32.020 1.00 0.00 ATOM 486 C LEU A 63 8.035 34.523 31.607 1.00 0.00 ATOM 487 N TRP A 64 8.591 34.476 30.395 1.00 0.00 ATOM 488 CA TRP A 64 8.325 33.364 29.481 1.00 0.00 ATOM 489 CB TRP A 64 9.160 33.506 28.207 1.00 0.00 ATOM 490 CG TRP A 64 8.717 34.628 27.321 1.00 0.00 ATOM 491 CD1 TRP A 64 7.563 35.350 27.428 1.00 0.00 ATOM 492 CD2 TRP A 64 9.419 35.160 26.191 1.00 0.00 ATOM 493 CE2 TRP A 64 8.633 36.200 25.662 1.00 0.00 ATOM 494 CE3 TRP A 64 10.638 34.856 25.575 1.00 0.00 ATOM 495 NE1 TRP A 64 7.502 36.297 26.435 1.00 0.00 ATOM 496 CZ2 TRP A 64 9.022 36.940 24.546 1.00 0.00 ATOM 497 CZ3 TRP A 64 11.020 35.592 24.470 1.00 0.00 ATOM 498 CH2 TRP A 64 10.221 36.621 23.964 1.00 0.00 ATOM 499 O TRP A 64 8.219 30.984 29.675 1.00 0.00 ATOM 500 C TRP A 64 8.778 32.024 30.028 1.00 0.00 ATOM 501 N GLU A 65 9.922 32.122 30.826 1.00 0.00 ATOM 502 CA GLU A 65 10.387 30.899 31.468 1.00 0.00 ATOM 503 CB GLU A 65 11.633 31.222 32.295 1.00 0.00 ATOM 504 CG GLU A 65 12.879 31.487 31.464 1.00 0.00 ATOM 505 CD GLU A 65 14.068 31.895 32.311 1.00 0.00 ATOM 506 OE1 GLU A 65 13.900 32.042 33.540 1.00 0.00 ATOM 507 OE2 GLU A 65 15.168 32.070 31.745 1.00 0.00 ATOM 508 O GLU A 65 9.379 29.109 32.706 1.00 0.00 ATOM 509 C GLU A 65 9.356 30.306 32.434 1.00 0.00 ATOM 510 N HIS A 66 8.462 31.145 32.947 1.00 0.00 ATOM 511 CA HIS A 66 7.414 30.686 33.859 1.00 0.00 ATOM 512 CB HIS A 66 6.669 31.878 34.463 1.00 0.00 ATOM 513 CG HIS A 66 7.496 32.692 35.408 1.00 0.00 ATOM 514 CD2 HIS A 66 8.062 34.033 35.402 1.00 0.00 ATOM 515 ND1 HIS A 66 7.917 32.214 36.630 1.00 0.00 ATOM 516 CE1 HIS A 66 8.637 33.168 37.248 1.00 0.00 ATOM 517 NE2 HIS A 66 8.728 34.262 36.518 1.00 0.00 ATOM 518 O HIS A 66 5.612 29.115 33.812 1.00 0.00 ATOM 519 C HIS A 66 6.396 29.794 33.157 1.00 0.00 ATOM 520 N TYR A 67 6.410 29.806 31.824 1.00 0.00 ATOM 521 CA TYR A 67 5.453 29.046 31.026 1.00 0.00 ATOM 522 CB TYR A 67 4.314 30.087 30.472 1.00 0.00 ATOM 523 CG TYR A 67 3.503 30.666 31.617 1.00 0.00 ATOM 524 CD1 TYR A 67 2.896 29.944 32.656 1.00 0.00 ATOM 525 CD2 TYR A 67 3.350 32.049 31.620 1.00 0.00 ATOM 526 CE1 TYR A 67 2.127 30.578 33.638 1.00 0.00 ATOM 527 CE2 TYR A 67 2.595 32.693 32.603 1.00 0.00 ATOM 528 CZ TYR A 67 2.004 31.974 33.633 1.00 0.00 ATOM 529 OH TYR A 67 1.209 32.689 34.530 1.00 0.00 ATOM 530 O TYR A 67 5.331 27.153 29.582 1.00 0.00 ATOM 531 C TYR A 67 6.043 27.830 30.317 1.00 0.00 ATOM 532 N TYR A 68 7.337 27.563 30.510 1.00 0.00 ATOM 533 CA TYR A 68 7.985 26.432 29.843 1.00 0.00 ATOM 534 CB TYR A 68 9.500 26.478 30.057 1.00 0.00 ATOM 535 CG TYR A 68 10.183 27.629 29.351 1.00 0.00 ATOM 536 CD1 TYR A 68 9.533 28.331 28.342 1.00 0.00 ATOM 537 CD2 TYR A 68 11.473 28.009 29.694 1.00 0.00 ATOM 538 CE1 TYR A 68 10.148 29.383 27.692 1.00 0.00 ATOM 539 CE2 TYR A 68 12.105 29.058 29.054 1.00 0.00 ATOM 540 CZ TYR A 68 11.430 29.747 28.046 1.00 0.00 ATOM 541 OH TYR A 68 12.046 30.794 27.399 1.00 0.00 ATOM 542 O TYR A 68 7.338 24.131 29.604 1.00 0.00 ATOM 543 C TYR A 68 7.505 25.078 30.372 1.00 0.00 ATOM 544 N LYS A 69 7.280 24.994 31.683 1.00 0.00 ATOM 545 CA LYS A 69 6.949 23.731 32.332 1.00 0.00 ATOM 546 CB LYS A 69 6.619 23.957 33.809 1.00 0.00 ATOM 547 CG LYS A 69 6.328 22.682 34.583 1.00 0.00 ATOM 548 CD LYS A 69 6.108 22.969 36.060 1.00 0.00 ATOM 549 CE LYS A 69 5.783 21.698 36.827 1.00 0.00 ATOM 550 NZ LYS A 69 5.710 21.940 38.294 1.00 0.00 ATOM 551 O LYS A 69 4.676 23.657 31.571 1.00 0.00 ATOM 552 C LYS A 69 5.747 23.056 31.684 1.00 0.00 ATOM 553 N GLU A 70 5.982 21.756 31.246 1.00 0.00 ATOM 554 CA GLU A 70 4.920 20.914 30.676 1.00 0.00 ATOM 555 CB GLU A 70 3.939 20.677 32.094 1.00 0.00 ATOM 556 CG GLU A 70 3.822 19.382 32.882 1.00 0.00 ATOM 557 CD GLU A 70 5.121 19.019 33.579 1.00 0.00 ATOM 558 OE1 GLU A 70 5.560 19.785 34.467 1.00 0.00 ATOM 559 OE2 GLU A 70 5.710 17.970 33.238 1.00 0.00 ATOM 560 O GLU A 70 3.333 20.915 28.870 1.00 0.00 ATOM 561 C GLU A 70 4.357 21.410 29.346 1.00 0.00 ATOM 562 N GLY A 71 5.050 22.409 28.680 1.00 0.00 ATOM 563 CA GLY A 71 4.613 22.793 27.353 1.00 0.00 ATOM 564 O GLY A 71 6.078 21.275 26.218 1.00 0.00 ATOM 565 C GLY A 71 4.949 21.758 26.284 1.00 0.00 ATOM 566 N GLN A 72 3.969 21.413 25.463 1.00 0.00 ATOM 567 CA GLN A 72 4.063 20.394 24.425 1.00 0.00 ATOM 568 CB GLN A 72 2.852 19.377 24.620 1.00 0.00 ATOM 569 CG GLN A 72 2.949 18.638 25.977 1.00 0.00 ATOM 570 CD GLN A 72 1.801 17.668 26.121 1.00 0.00 ATOM 571 OE1 GLN A 72 1.600 16.760 25.315 1.00 0.00 ATOM 572 NE2 GLN A 72 0.988 17.852 27.174 1.00 0.00 ATOM 573 O GLN A 72 4.998 20.332 22.242 1.00 0.00 ATOM 574 C GLN A 72 4.376 20.983 23.067 1.00 0.00 ATOM 575 N ALA A 73 3.946 22.223 22.852 1.00 0.00 ATOM 576 CA ALA A 73 4.145 22.900 21.586 1.00 0.00 ATOM 577 CB ALA A 73 2.875 22.803 20.756 1.00 0.00 ATOM 578 O ALA A 73 3.994 24.991 22.725 1.00 0.00 ATOM 579 C ALA A 73 4.485 24.348 21.801 1.00 0.00 ATOM 580 N ILE A 74 5.354 24.848 20.934 1.00 0.00 ATOM 581 CA ILE A 74 5.746 26.248 20.920 1.00 0.00 ATOM 582 CB ILE A 74 7.275 26.416 20.997 1.00 0.00 ATOM 583 CG1 ILE A 74 7.811 25.829 22.305 1.00 0.00 ATOM 584 CG2 ILE A 74 7.653 27.890 20.940 1.00 0.00 ATOM 585 CD1 ILE A 74 9.320 25.745 22.363 1.00 0.00 ATOM 586 O ILE A 74 5.379 26.211 18.567 1.00 0.00 ATOM 587 C ILE A 74 5.235 26.824 19.617 1.00 0.00 ATOM 588 N ILE A 75 4.649 28.026 19.715 1.00 0.00 ATOM 589 CA ILE A 75 4.270 28.820 18.555 1.00 0.00 ATOM 590 CB ILE A 75 2.788 29.234 18.497 1.00 0.00 ATOM 591 CG1 ILE A 75 1.892 27.995 18.417 1.00 0.00 ATOM 592 CG2 ILE A 75 2.524 30.098 17.275 1.00 0.00 ATOM 593 CD1 ILE A 75 0.417 28.298 18.572 1.00 0.00 ATOM 594 O ILE A 75 5.184 30.700 19.741 1.00 0.00 ATOM 595 C ILE A 75 5.206 30.017 18.718 1.00 0.00 ATOM 596 N PHE A 76 6.074 30.226 17.738 1.00 0.00 ATOM 597 CA PHE A 76 6.965 31.371 17.734 1.00 0.00 ATOM 598 CB PHE A 76 8.419 30.956 17.501 1.00 0.00 ATOM 599 CG PHE A 76 9.392 32.099 17.551 1.00 0.00 ATOM 600 CD1 PHE A 76 9.833 32.598 18.765 1.00 0.00 ATOM 601 CD2 PHE A 76 9.867 32.674 16.387 1.00 0.00 ATOM 602 CE1 PHE A 76 10.729 33.649 18.812 1.00 0.00 ATOM 603 CE2 PHE A 76 10.762 33.726 16.434 1.00 0.00 ATOM 604 CZ PHE A 76 11.193 34.215 17.638 1.00 0.00 ATOM 605 O PHE A 76 6.530 31.909 15.416 1.00 0.00 ATOM 606 C PHE A 76 6.506 32.286 16.600 1.00 0.00 ATOM 607 N VAL A 77 6.012 33.461 16.984 1.00 0.00 ATOM 608 CA VAL A 77 5.461 34.411 16.029 1.00 0.00 ATOM 609 CB VAL A 77 4.208 35.114 16.583 1.00 0.00 ATOM 610 CG1 VAL A 77 3.692 36.145 15.589 1.00 0.00 ATOM 611 CG2 VAL A 77 3.101 34.103 16.844 1.00 0.00 ATOM 612 O VAL A 77 7.006 36.213 16.591 1.00 0.00 ATOM 613 C VAL A 77 6.463 35.535 15.686 1.00 0.00 ATOM 614 N ILE A 78 6.744 35.663 14.413 1.00 0.00 ATOM 615 CA ILE A 78 7.715 36.660 13.914 1.00 0.00 ATOM 616 CB ILE A 78 8.817 36.009 13.059 1.00 0.00 ATOM 617 CG1 ILE A 78 9.594 34.979 13.883 1.00 0.00 ATOM 618 CG2 ILE A 78 9.795 37.061 12.559 1.00 0.00 ATOM 619 CD1 ILE A 78 10.542 34.132 13.064 1.00 0.00 ATOM 620 O ILE A 78 6.229 37.374 12.193 1.00 0.00 ATOM 621 C ILE A 78 7.019 37.704 13.059 1.00 0.00 ATOM 622 N ASP A 79 7.326 38.977 13.311 1.00 0.00 ATOM 623 CA ASP A 79 6.913 40.036 12.404 1.00 0.00 ATOM 624 CB ASP A 79 6.112 41.094 13.315 1.00 0.00 ATOM 625 CG ASP A 79 6.967 41.672 14.438 1.00 0.00 ATOM 626 OD1 ASP A 79 8.201 41.553 14.378 1.00 0.00 ATOM 627 OD2 ASP A 79 6.395 42.252 15.389 1.00 0.00 ATOM 628 O ASP A 79 8.998 40.317 11.225 1.00 0.00 ATOM 629 C ASP A 79 7.821 39.955 11.160 1.00 0.00 ATOM 630 N SER A 80 7.301 39.406 10.069 1.00 0.00 ATOM 631 CA SER A 80 8.098 39.195 8.871 1.00 0.00 ATOM 632 CB SER A 80 7.295 38.381 7.856 1.00 0.00 ATOM 633 OG SER A 80 6.203 39.130 7.350 1.00 0.00 ATOM 634 O SER A 80 9.446 40.514 7.445 1.00 0.00 ATOM 635 C SER A 80 8.551 40.547 8.242 1.00 0.00 ATOM 636 N SER A 81 7.897 41.592 8.555 1.00 0.00 ATOM 637 CA SER A 81 8.311 42.898 7.997 1.00 0.00 ATOM 638 CB SER A 81 7.108 43.843 7.997 1.00 0.00 ATOM 639 OG SER A 81 6.686 44.132 9.319 1.00 0.00 ATOM 640 O SER A 81 10.085 44.480 8.271 1.00 0.00 ATOM 641 C SER A 81 9.429 43.578 8.784 1.00 0.00 ATOM 642 N ASP A 82 9.641 43.134 10.038 1.00 0.00 ATOM 643 CA ASP A 82 10.698 43.721 10.862 1.00 0.00 ATOM 644 CB ASP A 82 10.274 43.531 12.319 1.00 0.00 ATOM 645 CG ASP A 82 11.114 44.349 13.281 1.00 0.00 ATOM 646 OD1 ASP A 82 12.043 45.040 12.816 1.00 0.00 ATOM 647 OD2 ASP A 82 10.842 44.297 14.499 1.00 0.00 ATOM 648 O ASP A 82 12.558 42.318 11.479 1.00 0.00 ATOM 649 C ASP A 82 12.094 43.137 10.676 1.00 0.00 ATOM 650 N ARG A 83 12.765 43.570 9.617 1.00 0.00 ATOM 651 CA ARG A 83 14.122 43.109 9.341 1.00 0.00 ATOM 652 CB ARG A 83 14.533 43.610 7.929 1.00 0.00 ATOM 653 CG ARG A 83 13.780 42.905 6.810 1.00 0.00 ATOM 654 CD ARG A 83 13.853 43.646 5.495 1.00 0.00 ATOM 655 NE ARG A 83 13.206 42.877 4.431 1.00 0.00 ATOM 656 CZ ARG A 83 13.190 43.233 3.149 1.00 0.00 ATOM 657 NH1 ARG A 83 13.782 44.352 2.754 1.00 0.00 ATOM 658 NH2 ARG A 83 12.583 42.460 2.255 1.00 0.00 ATOM 659 O ARG A 83 16.039 42.772 10.752 1.00 0.00 ATOM 660 C ARG A 83 15.107 43.515 10.438 1.00 0.00 ATOM 661 N LEU A 84 14.939 44.721 10.973 1.00 0.00 ATOM 662 CA LEU A 84 15.840 45.239 12.002 1.00 0.00 ATOM 663 CB LEU A 84 15.372 46.615 12.481 1.00 0.00 ATOM 664 CG LEU A 84 15.483 47.758 11.471 1.00 0.00 ATOM 665 CD1 LEU A 84 14.834 49.022 12.016 1.00 0.00 ATOM 666 CD2 LEU A 84 16.941 48.066 11.167 1.00 0.00 ATOM 667 O LEU A 84 16.955 44.261 13.892 1.00 0.00 ATOM 668 C LEU A 84 15.915 44.342 13.235 1.00 0.00 ATOM 669 N ARG A 85 14.811 43.656 13.536 1.00 0.00 ATOM 670 CA ARG A 85 14.771 42.827 14.734 1.00 0.00 ATOM 671 CB ARG A 85 13.523 43.132 15.566 1.00 0.00 ATOM 672 CG ARG A 85 13.499 44.531 16.159 1.00 0.00 ATOM 673 CD ARG A 85 12.225 44.772 16.954 1.00 0.00 ATOM 674 NE ARG A 85 12.187 46.114 17.531 1.00 0.00 ATOM 675 CZ ARG A 85 11.154 46.607 18.205 1.00 0.00 ATOM 676 NH1 ARG A 85 11.208 47.839 18.694 1.00 0.00 ATOM 677 NH2 ARG A 85 10.068 45.868 18.388 1.00 0.00 ATOM 678 O ARG A 85 14.571 40.545 15.393 1.00 0.00 ATOM 679 C ARG A 85 14.743 41.317 14.470 1.00 0.00 ATOM 680 N MET A 86 14.908 40.889 13.222 1.00 0.00 ATOM 681 CA MET A 86 14.809 39.455 12.939 1.00 0.00 ATOM 682 CB MET A 86 14.895 39.199 11.433 1.00 0.00 ATOM 683 CG MET A 86 13.697 39.707 10.648 1.00 0.00 ATOM 684 SD MET A 86 12.145 38.965 11.188 1.00 0.00 ATOM 685 CE MET A 86 12.380 37.270 10.664 1.00 0.00 ATOM 686 O MET A 86 15.710 37.559 14.144 1.00 0.00 ATOM 687 C MET A 86 15.943 38.658 13.634 1.00 0.00 ATOM 688 N VAL A 87 17.147 39.229 13.703 1.00 0.00 ATOM 689 CA VAL A 87 18.237 38.563 14.421 1.00 0.00 ATOM 690 CB VAL A 87 19.568 39.320 14.253 1.00 0.00 ATOM 691 CG1 VAL A 87 20.641 38.712 15.143 1.00 0.00 ATOM 692 CG2 VAL A 87 20.043 39.249 12.810 1.00 0.00 ATOM 693 O VAL A 87 18.242 37.403 16.535 1.00 0.00 ATOM 694 C VAL A 87 17.958 38.442 15.920 1.00 0.00 ATOM 695 N VAL A 88 17.384 39.491 16.504 1.00 0.00 ATOM 696 CA VAL A 88 16.927 39.428 17.888 1.00 0.00 ATOM 697 CB VAL A 88 16.285 40.755 18.334 1.00 0.00 ATOM 698 CG1 VAL A 88 15.652 40.606 19.708 1.00 0.00 ATOM 699 CG2 VAL A 88 17.332 41.857 18.403 1.00 0.00 ATOM 700 O VAL A 88 15.890 37.605 19.063 1.00 0.00 ATOM 701 C VAL A 88 15.903 38.306 18.050 1.00 0.00 ATOM 702 N ALA A 89 15.027 38.148 17.054 1.00 0.00 ATOM 703 CA ALA A 89 14.017 37.093 17.139 1.00 0.00 ATOM 704 CB ALA A 89 13.132 37.142 15.904 1.00 0.00 ATOM 705 O ALA A 89 14.393 34.854 17.905 1.00 0.00 ATOM 706 C ALA A 89 14.740 35.748 17.129 1.00 0.00 ATOM 707 N LYS A 90 15.752 35.615 16.268 1.00 0.00 ATOM 708 CA LYS A 90 16.603 34.423 16.259 1.00 0.00 ATOM 709 CB LYS A 90 17.751 34.595 15.261 1.00 0.00 ATOM 710 CG LYS A 90 18.688 33.401 15.182 1.00 0.00 ATOM 711 CD LYS A 90 19.784 33.625 14.153 1.00 0.00 ATOM 712 CE LYS A 90 20.698 32.416 14.046 1.00 0.00 ATOM 713 NZ LYS A 90 21.531 32.239 15.268 1.00 0.00 ATOM 714 O LYS A 90 17.239 33.021 18.094 1.00 0.00 ATOM 715 C LYS A 90 17.225 34.158 17.627 1.00 0.00 ATOM 716 N GLU A 91 17.763 35.199 18.253 1.00 0.00 ATOM 717 CA GLU A 91 18.408 35.028 19.555 1.00 0.00 ATOM 718 CB GLU A 91 18.956 36.363 20.061 1.00 0.00 ATOM 719 CG GLU A 91 19.679 36.272 21.397 1.00 0.00 ATOM 720 CD GLU A 91 20.236 37.607 21.850 1.00 0.00 ATOM 721 OE1 GLU A 91 20.068 38.601 21.113 1.00 0.00 ATOM 722 OE2 GLU A 91 20.839 37.659 22.941 1.00 0.00 ATOM 723 O GLU A 91 17.767 33.587 21.355 1.00 0.00 ATOM 724 C GLU A 91 17.438 34.503 20.598 1.00 0.00 ATOM 725 N GLU A 92 16.241 35.086 20.631 1.00 0.00 ATOM 726 CA GLU A 92 15.234 34.676 21.606 1.00 0.00 ATOM 727 CB GLU A 92 14.006 35.585 21.522 1.00 0.00 ATOM 728 CG GLU A 92 14.247 37.001 22.023 1.00 0.00 ATOM 729 CD GLU A 92 13.049 37.905 21.812 1.00 0.00 ATOM 730 OE1 GLU A 92 12.057 37.445 21.209 1.00 0.00 ATOM 731 OE2 GLU A 92 13.104 39.074 22.249 1.00 0.00 ATOM 732 O GLU A 92 14.600 32.452 22.269 1.00 0.00 ATOM 733 C GLU A 92 14.796 33.235 21.332 1.00 0.00 ATOM 734 N LEU A 93 14.649 32.887 20.051 1.00 0.00 ATOM 735 CA LEU A 93 14.287 31.522 19.690 1.00 0.00 ATOM 736 CB LEU A 93 14.126 31.394 18.173 1.00 0.00 ATOM 737 CG LEU A 93 13.761 30.005 17.645 1.00 0.00 ATOM 738 CD1 LEU A 93 12.415 29.558 18.195 1.00 0.00 ATOM 739 CD2 LEU A 93 13.675 30.012 16.127 1.00 0.00 ATOM 740 O LEU A 93 15.045 29.505 20.756 1.00 0.00 ATOM 741 C LEU A 93 15.353 30.520 20.135 1.00 0.00 ATOM 742 N ASP A 94 16.605 30.811 19.821 1.00 0.00 ATOM 743 CA ASP A 94 17.682 29.886 20.160 1.00 0.00 ATOM 744 CB ASP A 94 19.005 30.361 19.557 1.00 0.00 ATOM 745 CG ASP A 94 19.062 30.168 18.054 1.00 0.00 ATOM 746 OD1 ASP A 94 18.195 29.449 17.514 1.00 0.00 ATOM 747 OD2 ASP A 94 19.976 30.734 17.416 1.00 0.00 ATOM 748 O ASP A 94 18.235 28.696 22.194 1.00 0.00 ATOM 749 C ASP A 94 17.864 29.764 21.683 1.00 0.00 ATOM 750 N THR A 95 17.612 30.868 22.398 1.00 0.00 ATOM 751 CA THR A 95 17.699 30.856 23.861 1.00 0.00 ATOM 752 CB THR A 95 17.405 32.263 24.416 1.00 0.00 ATOM 753 CG2 THR A 95 17.387 32.243 25.936 1.00 0.00 ATOM 754 OG1 THR A 95 18.418 33.174 23.976 1.00 0.00 ATOM 755 O THR A 95 16.947 29.067 25.279 1.00 0.00 ATOM 756 C THR A 95 16.655 29.856 24.382 1.00 0.00 ATOM 757 N LEU A 96 15.460 29.909 23.810 1.00 0.00 ATOM 758 CA LEU A 96 14.403 28.982 24.201 1.00 0.00 ATOM 759 CB LEU A 96 13.089 29.373 23.493 1.00 0.00 ATOM 760 CG LEU A 96 11.878 28.479 23.753 1.00 0.00 ATOM 761 CD1 LEU A 96 11.555 28.415 25.238 1.00 0.00 ATOM 762 CD2 LEU A 96 10.684 28.995 22.962 1.00 0.00 ATOM 763 O LEU A 96 14.583 26.628 24.661 1.00 0.00 ATOM 764 C LEU A 96 14.739 27.531 23.836 1.00 0.00 ATOM 765 N LEU A 97 15.229 27.308 22.617 1.00 0.00 ATOM 766 CA LEU A 97 15.526 25.958 22.138 1.00 0.00 ATOM 767 CB LEU A 97 15.590 26.104 20.542 1.00 0.00 ATOM 768 CG LEU A 97 15.745 24.772 19.779 1.00 0.00 ATOM 769 CD1 LEU A 97 14.465 23.941 19.878 1.00 0.00 ATOM 770 CD2 LEU A 97 16.062 25.071 18.300 1.00 0.00 ATOM 771 O LEU A 97 16.830 24.072 22.847 1.00 0.00 ATOM 772 C LEU A 97 16.676 25.292 22.898 1.00 0.00 ATOM 773 N ASN A 98 17.493 26.099 23.571 1.00 0.00 ATOM 774 CA ASN A 98 18.572 25.580 24.417 1.00 0.00 ATOM 775 CB ASN A 98 19.495 26.715 24.864 1.00 0.00 ATOM 776 CG ASN A 98 20.364 27.237 23.738 1.00 0.00 ATOM 777 ND2 ASN A 98 20.872 28.453 23.897 1.00 0.00 ATOM 778 OD1 ASN A 98 20.576 26.553 22.735 1.00 0.00 ATOM 779 O ASN A 98 18.775 24.087 26.293 1.00 0.00 ATOM 780 C ASN A 98 18.053 24.882 25.681 1.00 0.00 ATOM 781 N HIS A 99 16.808 25.176 26.062 1.00 0.00 ATOM 782 CA HIS A 99 16.223 24.658 27.295 1.00 0.00 ATOM 783 CB HIS A 99 14.913 25.384 27.610 1.00 0.00 ATOM 784 CG HIS A 99 15.091 26.829 27.954 1.00 0.00 ATOM 785 CD2 HIS A 99 14.895 28.094 27.259 1.00 0.00 ATOM 786 ND1 HIS A 99 15.540 27.251 29.186 1.00 0.00 ATOM 787 CE1 HIS A 99 15.596 28.594 29.195 1.00 0.00 ATOM 788 NE2 HIS A 99 15.211 29.106 28.042 1.00 0.00 ATOM 789 O HIS A 99 15.159 22.723 26.352 1.00 0.00 ATOM 790 C HIS A 99 15.912 23.170 27.217 1.00 0.00 ATOM 791 N PRO A 100 16.490 22.408 28.144 1.00 0.00 ATOM 792 CA PRO A 100 16.244 20.967 28.221 1.00 0.00 ATOM 793 CB PRO A 100 16.961 20.538 29.503 1.00 0.00 ATOM 794 CG PRO A 100 18.088 21.506 29.645 1.00 0.00 ATOM 795 CD PRO A 100 17.544 22.842 29.222 1.00 0.00 ATOM 796 O PRO A 100 14.300 19.618 27.772 1.00 0.00 ATOM 797 C PRO A 100 14.741 20.641 28.301 1.00 0.00 ATOM 798 N ASP A 101 13.991 21.477 28.988 1.00 0.00 ATOM 799 CA ASP A 101 12.539 21.249 29.127 1.00 0.00 ATOM 800 CB ASP A 101 11.922 22.401 29.921 1.00 0.00 ATOM 801 CG ASP A 101 12.294 22.362 31.391 1.00 0.00 ATOM 802 OD1 ASP A 101 12.831 21.326 31.838 1.00 0.00 ATOM 803 OD2 ASP A 101 12.051 23.365 32.093 1.00 0.00 ATOM 804 O ASP A 101 10.755 20.525 27.693 1.00 0.00 ATOM 805 C ASP A 101 11.808 21.163 27.794 1.00 0.00 ATOM 806 N ILE A 102 12.370 21.808 26.779 1.00 0.00 ATOM 807 CA ILE A 102 11.714 21.881 25.476 1.00 0.00 ATOM 808 CB ILE A 102 11.350 23.389 25.258 1.00 0.00 ATOM 809 CG1 ILE A 102 10.347 23.889 26.316 1.00 0.00 ATOM 810 CG2 ILE A 102 10.830 23.628 23.844 1.00 0.00 ATOM 811 CD1 ILE A 102 10.373 25.414 26.358 1.00 0.00 ATOM 812 O ILE A 102 11.988 21.040 23.256 1.00 0.00 ATOM 813 C ILE A 102 12.318 20.949 24.433 1.00 0.00 ATOM 814 N LYS A 103 13.214 20.063 24.857 1.00 0.00 ATOM 815 CA LYS A 103 13.981 19.238 23.905 1.00 0.00 ATOM 816 CB LYS A 103 15.064 18.444 24.637 1.00 0.00 ATOM 817 CG LYS A 103 16.206 19.294 25.168 1.00 0.00 ATOM 818 CD LYS A 103 17.241 18.443 25.886 1.00 0.00 ATOM 819 CE LYS A 103 18.383 19.292 26.418 1.00 0.00 ATOM 820 NZ LYS A 103 19.391 18.475 27.148 1.00 0.00 ATOM 821 O LYS A 103 13.516 17.888 21.973 1.00 0.00 ATOM 822 C LYS A 103 13.184 18.206 23.116 1.00 0.00 ATOM 823 N HIS A 104 12.166 17.641 23.749 1.00 0.00 ATOM 824 CA HIS A 104 11.337 16.637 23.118 1.00 0.00 ATOM 825 CB HIS A 104 10.196 16.208 24.061 1.00 0.00 ATOM 826 CG HIS A 104 10.662 15.803 25.420 1.00 0.00 ATOM 827 CD2 HIS A 104 10.876 14.580 25.962 1.00 0.00 ATOM 828 ND1 HIS A 104 11.029 16.719 26.383 1.00 0.00 ATOM 829 CE1 HIS A 104 11.452 16.078 27.459 1.00 0.00 ATOM 830 NE2 HIS A 104 11.371 14.778 27.229 1.00 0.00 ATOM 831 O HIS A 104 10.336 18.186 21.574 1.00 0.00 ATOM 832 C HIS A 104 10.752 17.050 21.768 1.00 0.00 ATOM 833 N ARG A 105 10.715 16.083 20.856 1.00 0.00 ATOM 834 CA ARG A 105 10.109 16.287 19.538 1.00 0.00 ATOM 835 CB ARG A 105 10.294 15.031 18.672 1.00 0.00 ATOM 836 CG ARG A 105 11.740 14.815 18.245 1.00 0.00 ATOM 837 CD ARG A 105 11.876 13.637 17.298 1.00 0.00 ATOM 838 NE ARG A 105 13.263 13.434 16.892 1.00 0.00 ATOM 839 CZ ARG A 105 13.657 12.529 16.004 1.00 0.00 ATOM 840 NH1 ARG A 105 12.766 11.736 15.420 1.00 0.00 ATOM 841 NH2 ARG A 105 14.941 12.412 15.702 1.00 0.00 ATOM 842 O ARG A 105 8.083 17.464 19.006 1.00 0.00 ATOM 843 C ARG A 105 8.622 16.597 19.697 1.00 0.00 ATOM 844 N ARG A 106 7.967 15.908 20.632 1.00 0.00 ATOM 845 CA ARG A 106 6.543 16.171 20.857 1.00 0.00 ATOM 846 CB ARG A 106 5.919 15.107 21.746 1.00 0.00 ATOM 847 CG ARG A 106 4.403 15.207 21.797 1.00 0.00 ATOM 848 CD ARG A 106 3.838 14.411 22.969 1.00 0.00 ATOM 849 NE ARG A 106 4.372 14.924 24.222 1.00 0.00 ATOM 850 CZ ARG A 106 5.065 14.199 25.094 1.00 0.00 ATOM 851 NH1 ARG A 106 5.304 12.915 24.858 1.00 0.00 ATOM 852 NH2 ARG A 106 5.536 14.768 26.191 1.00 0.00 ATOM 853 O ARG A 106 5.396 18.256 21.108 1.00 0.00 ATOM 854 C ARG A 106 6.333 17.553 21.455 1.00 0.00 ATOM 855 N ILE A 107 7.219 17.956 22.359 1.00 0.00 ATOM 856 CA ILE A 107 7.131 19.271 22.963 1.00 0.00 ATOM 857 CB ILE A 107 8.243 19.528 23.994 1.00 0.00 ATOM 858 CG1 ILE A 107 8.012 18.637 25.218 1.00 0.00 ATOM 859 CG2 ILE A 107 8.275 21.003 24.404 1.00 0.00 ATOM 860 CD1 ILE A 107 6.669 18.846 25.900 1.00 0.00 ATOM 861 O ILE A 107 6.601 21.367 21.911 1.00 0.00 ATOM 862 C ILE A 107 7.275 20.342 21.881 1.00 0.00 ATOM 863 N PRO A 108 7.081 20.246 19.823 1.00 0.00 ATOM 864 CA PRO A 108 7.157 20.620 18.418 1.00 0.00 ATOM 865 CB PRO A 108 5.968 19.899 17.778 1.00 0.00 ATOM 866 CG PRO A 108 5.009 19.692 18.900 1.00 0.00 ATOM 867 CD PRO A 108 5.845 19.464 20.128 1.00 0.00 ATOM 868 O PRO A 108 6.386 22.794 19.071 1.00 0.00 ATOM 869 C PRO A 108 7.026 22.130 18.254 1.00 0.00 ATOM 870 N ILE A 109 7.689 22.666 17.233 1.00 0.00 ATOM 871 CA ILE A 109 7.806 24.106 17.061 1.00 0.00 ATOM 872 CB ILE A 109 9.286 24.533 17.036 1.00 0.00 ATOM 873 CG1 ILE A 109 9.974 24.146 18.347 1.00 0.00 ATOM 874 CG2 ILE A 109 9.403 26.039 16.856 1.00 0.00 ATOM 875 CD1 ILE A 109 11.474 24.347 18.331 1.00 0.00 ATOM 876 O ILE A 109 7.594 24.220 14.670 1.00 0.00 ATOM 877 C ILE A 109 7.150 24.565 15.765 1.00 0.00 ATOM 878 N LEU A 110 6.120 25.486 15.932 1.00 0.00 ATOM 879 CA LEU A 110 5.398 26.039 14.795 1.00 0.00 ATOM 880 CB LEU A 110 3.893 25.884 15.022 1.00 0.00 ATOM 881 CG LEU A 110 2.980 26.481 13.948 1.00 0.00 ATOM 882 CD1 LEU A 110 3.168 25.761 12.622 1.00 0.00 ATOM 883 CD2 LEU A 110 1.519 26.355 14.355 1.00 0.00 ATOM 884 O LEU A 110 5.576 28.238 15.723 1.00 0.00 ATOM 885 C LEU A 110 5.806 27.502 14.760 1.00 0.00 ATOM 886 N PHE A 111 6.419 27.920 13.655 1.00 0.00 ATOM 887 CA PHE A 111 6.741 29.326 13.461 1.00 0.00 ATOM 888 CB PHE A 111 8.105 29.474 12.784 1.00 0.00 ATOM 889 CG PHE A 111 9.258 29.032 13.640 1.00 0.00 ATOM 890 CD1 PHE A 111 9.724 27.730 13.580 1.00 0.00 ATOM 891 CD2 PHE A 111 9.876 29.918 14.504 1.00 0.00 ATOM 892 CE1 PHE A 111 10.784 27.325 14.368 1.00 0.00 ATOM 893 CE2 PHE A 111 10.937 29.513 15.291 1.00 0.00 ATOM 894 CZ PHE A 111 11.392 28.221 15.226 1.00 0.00 ATOM 895 O PHE A 111 5.206 29.371 11.626 1.00 0.00 ATOM 896 C PHE A 111 5.620 29.946 12.634 1.00 0.00 ATOM 897 N PHE A 112 5.099 31.089 13.088 1.00 0.00 ATOM 898 CA PHE A 112 4.160 31.869 12.275 1.00 0.00 ATOM 899 CB PHE A 112 2.938 32.368 13.053 1.00 0.00 ATOM 900 CG PHE A 112 1.847 31.335 13.303 1.00 0.00 ATOM 901 CD1 PHE A 112 1.339 30.546 12.278 1.00 0.00 ATOM 902 CD2 PHE A 112 1.219 31.243 14.536 1.00 0.00 ATOM 903 CE1 PHE A 112 0.274 29.676 12.501 1.00 0.00 ATOM 904 CE2 PHE A 112 0.177 30.359 14.746 1.00 0.00 ATOM 905 CZ PHE A 112 -0.293 29.597 13.728 1.00 0.00 ATOM 906 O PHE A 112 5.258 33.984 12.530 1.00 0.00 ATOM 907 C PHE A 112 4.934 33.078 11.753 1.00 0.00 ATOM 908 N ALA A 113 5.183 33.124 10.448 1.00 0.00 ATOM 909 CA ALA A 113 5.839 34.231 9.780 1.00 0.00 ATOM 910 CB ALA A 113 6.535 33.746 8.516 1.00 0.00 ATOM 911 O ALA A 113 4.032 35.078 8.441 1.00 0.00 ATOM 912 C ALA A 113 4.712 35.201 9.462 1.00 0.00 ATOM 913 N ASN A 114 4.430 36.050 10.413 1.00 0.00 ATOM 914 CA ASN A 114 3.222 36.871 10.421 1.00 0.00 ATOM 915 CB ASN A 114 2.827 37.060 11.903 1.00 0.00 ATOM 916 CG ASN A 114 1.374 37.457 12.087 1.00 0.00 ATOM 917 ND2 ASN A 114 1.097 38.008 13.279 1.00 0.00 ATOM 918 OD1 ASN A 114 0.531 37.329 11.194 1.00 0.00 ATOM 919 O ASN A 114 4.489 38.679 9.426 1.00 0.00 ATOM 920 C ASN A 114 3.373 38.215 9.703 1.00 0.00 ATOM 921 N LYS A 115 2.233 38.844 9.425 1.00 0.00 ATOM 922 CA LYS A 115 2.170 40.153 8.763 1.00 0.00 ATOM 923 CB LYS A 115 2.206 41.285 9.836 1.00 0.00 ATOM 924 CG LYS A 115 0.920 41.666 10.495 1.00 0.00 ATOM 925 CD LYS A 115 1.108 42.968 11.322 1.00 0.00 ATOM 926 CE LYS A 115 -0.085 43.244 12.207 1.00 0.00 ATOM 927 NZ LYS A 115 -0.016 44.519 12.956 1.00 0.00 ATOM 928 O LYS A 115 3.100 40.965 6.686 1.00 0.00 ATOM 929 C LYS A 115 2.545 40.036 7.279 1.00 0.00 ATOM 930 N MET A 116 2.178 38.951 6.642 1.00 0.00 ATOM 931 CA MET A 116 2.511 38.779 5.224 1.00 0.00 ATOM 932 CB MET A 116 2.132 37.363 4.785 1.00 0.00 ATOM 933 CG MET A 116 3.021 36.274 5.363 1.00 0.00 ATOM 934 SD MET A 116 4.745 36.445 4.864 1.00 0.00 ATOM 935 CE MET A 116 4.635 36.043 3.123 1.00 0.00 ATOM 936 O MET A 116 2.052 39.852 3.123 1.00 0.00 ATOM 937 C MET A 116 1.739 39.742 4.317 1.00 0.00 ATOM 938 N ASP A 117 0.757 40.438 5.053 1.00 0.00 ATOM 939 CA ASP A 117 -0.005 41.460 4.321 1.00 0.00 ATOM 940 CB ASP A 117 -1.195 41.939 5.153 1.00 0.00 ATOM 941 CG ASP A 117 -0.774 42.564 6.468 1.00 0.00 ATOM 942 OD1 ASP A 117 -0.116 41.871 7.272 1.00 0.00 ATOM 943 OD2 ASP A 117 -1.101 43.747 6.695 1.00 0.00 ATOM 944 O ASP A 117 0.495 43.424 3.035 1.00 0.00 ATOM 945 C ASP A 117 0.830 42.692 3.977 1.00 0.00 ATOM 946 N LEU A 118 1.883 42.949 4.753 1.00 0.00 ATOM 947 CA LEU A 118 2.701 44.140 4.531 1.00 0.00 ATOM 948 CB LEU A 118 3.583 44.421 5.750 1.00 0.00 ATOM 949 CG LEU A 118 2.851 44.736 7.056 1.00 0.00 ATOM 950 CD1 LEU A 118 3.841 44.899 8.200 1.00 0.00 ATOM 951 CD2 LEU A 118 2.056 46.026 6.930 1.00 0.00 ATOM 952 O LEU A 118 4.132 42.814 3.123 1.00 0.00 ATOM 953 C LEU A 118 3.591 43.911 3.308 1.00 0.00 ATOM 954 N ARG A 119 3.702 44.912 2.437 1.00 0.00 ATOM 955 CA ARG A 119 4.351 44.701 1.133 1.00 0.00 ATOM 956 CB ARG A 119 4.029 46.020 0.286 1.00 0.00 ATOM 957 CG ARG A 119 4.693 46.044 -1.083 1.00 0.00 ATOM 958 CD ARG A 119 4.856 47.434 -1.589 1.00 0.00 ATOM 959 NE ARG A 119 5.625 48.225 -0.631 1.00 0.00 ATOM 960 CZ ARG A 119 5.585 49.546 -0.511 1.00 0.00 ATOM 961 NH1 ARG A 119 4.769 50.289 -1.262 1.00 0.00 ATOM 962 NH2 ARG A 119 6.334 50.115 0.409 1.00 0.00 ATOM 963 O ARG A 119 6.304 43.576 0.346 1.00 0.00 ATOM 964 C ARG A 119 5.814 44.280 1.219 1.00 0.00 ATOM 965 N ASP A 120 6.513 44.721 2.269 1.00 0.00 ATOM 966 CA ASP A 120 7.940 44.420 2.440 1.00 0.00 ATOM 967 CB ASP A 120 8.687 45.632 3.001 1.00 0.00 ATOM 968 CG ASP A 120 8.195 46.035 4.376 1.00 0.00 ATOM 969 OD1 ASP A 120 7.241 45.402 4.875 1.00 0.00 ATOM 970 OD2 ASP A 120 8.763 46.985 4.955 1.00 0.00 ATOM 971 O ASP A 120 9.346 42.942 3.701 1.00 0.00 ATOM 972 C ASP A 120 8.199 43.216 3.347 1.00 0.00 ATOM 973 N ALA A 121 7.145 42.500 3.715 1.00 0.00 ATOM 974 CA ALA A 121 7.311 41.334 4.584 1.00 0.00 ATOM 975 CB ALA A 121 5.970 40.665 4.840 1.00 0.00 ATOM 976 O ALA A 121 8.077 39.959 2.755 1.00 0.00 ATOM 977 C ALA A 121 8.219 40.283 3.941 1.00 0.00 ATOM 978 N VAL A 122 9.159 39.774 4.733 1.00 0.00 ATOM 979 CA VAL A 122 9.963 38.628 4.340 1.00 0.00 ATOM 980 CB VAL A 122 11.033 38.580 5.440 1.00 0.00 ATOM 981 CG1 VAL A 122 11.583 37.192 5.727 1.00 0.00 ATOM 982 CG2 VAL A 122 12.116 39.581 5.109 1.00 0.00 ATOM 983 O VAL A 122 8.273 37.200 5.239 1.00 0.00 ATOM 984 C VAL A 122 9.085 37.402 4.320 1.00 0.00 ATOM 985 N THR A 123 9.226 36.576 3.289 1.00 0.00 ATOM 986 CA THR A 123 8.384 35.380 3.203 1.00 0.00 ATOM 987 CB THR A 123 8.291 34.858 1.757 1.00 0.00 ATOM 988 CG2 THR A 123 7.763 35.944 0.832 1.00 0.00 ATOM 989 OG1 THR A 123 9.591 34.457 1.307 1.00 0.00 ATOM 990 O THR A 123 9.908 34.380 4.763 1.00 0.00 ATOM 991 C THR A 123 8.897 34.233 4.074 1.00 0.00 ATOM 992 N SER A 124 8.180 33.108 4.060 1.00 0.00 ATOM 993 CA SER A 124 8.533 31.994 4.919 1.00 0.00 ATOM 994 CB SER A 124 7.562 30.830 4.716 1.00 0.00 ATOM 995 OG SER A 124 6.260 31.168 5.164 1.00 0.00 ATOM 996 O SER A 124 10.674 31.154 5.538 1.00 0.00 ATOM 997 C SER A 124 9.935 31.484 4.615 1.00 0.00 ATOM 998 N VAL A 125 10.350 31.412 3.348 1.00 0.00 ATOM 999 CA VAL A 125 11.709 30.959 3.020 1.00 0.00 ATOM 1000 CB VAL A 125 11.930 30.891 1.497 1.00 0.00 ATOM 1001 CG1 VAL A 125 13.392 30.615 1.183 1.00 0.00 ATOM 1002 CG2 VAL A 125 11.088 29.781 0.886 1.00 0.00 ATOM 1003 O VAL A 125 13.762 31.438 4.164 1.00 0.00 ATOM 1004 C VAL A 125 12.769 31.897 3.591 1.00 0.00 ATOM 1005 N LYS A 126 12.536 33.206 3.477 1.00 0.00 ATOM 1006 CA LYS A 126 13.488 34.176 3.994 1.00 0.00 ATOM 1007 CB LYS A 126 13.098 35.598 3.549 1.00 0.00 ATOM 1008 CG LYS A 126 13.131 35.795 2.047 1.00 0.00 ATOM 1009 CD LYS A 126 12.797 37.241 1.652 1.00 0.00 ATOM 1010 CE LYS A 126 12.632 37.326 0.134 1.00 0.00 ATOM 1011 NZ LYS A 126 12.451 38.737 -0.330 1.00 0.00 ATOM 1012 O LYS A 126 14.641 34.145 6.101 1.00 0.00 ATOM 1013 C LYS A 126 13.564 34.106 5.516 1.00 0.00 ATOM 1014 N VAL A 127 12.425 34.034 6.188 1.00 0.00 ATOM 1015 CA VAL A 127 12.397 33.919 7.628 1.00 0.00 ATOM 1016 CB VAL A 127 10.956 33.908 8.170 1.00 0.00 ATOM 1017 CG1 VAL A 127 10.949 33.630 9.665 1.00 0.00 ATOM 1018 CG2 VAL A 127 10.286 35.253 7.929 1.00 0.00 ATOM 1019 O VAL A 127 13.772 32.637 9.130 1.00 0.00 ATOM 1020 C VAL A 127 13.082 32.628 8.108 1.00 0.00 ATOM 1021 N SER A 128 12.909 31.536 7.359 1.00 0.00 ATOM 1022 CA SER A 128 13.588 30.281 7.671 1.00 0.00 ATOM 1023 CB SER A 128 13.311 29.241 6.583 1.00 0.00 ATOM 1024 OG SER A 128 13.977 28.022 6.861 1.00 0.00 ATOM 1025 O SER A 128 15.751 29.984 8.677 1.00 0.00 ATOM 1026 C SER A 128 15.099 30.464 7.745 1.00 0.00 ATOM 1027 N GLN A 129 15.641 31.195 6.775 1.00 0.00 ATOM 1028 CA GLN A 129 17.069 31.494 6.760 1.00 0.00 ATOM 1029 CB GLN A 129 17.449 32.229 5.472 1.00 0.00 ATOM 1030 CG GLN A 129 17.410 31.360 4.227 1.00 0.00 ATOM 1031 CD GLN A 129 17.663 32.150 2.957 1.00 0.00 ATOM 1032 OE1 GLN A 129 17.792 33.374 2.992 1.00 0.00 ATOM 1033 NE2 GLN A 129 17.734 31.450 1.830 1.00 0.00 ATOM 1034 O GLN A 129 18.451 32.097 8.626 1.00 0.00 ATOM 1035 C GLN A 129 17.475 32.380 7.929 1.00 0.00 ATOM 1036 N LEU A 130 16.713 33.448 8.147 1.00 0.00 ATOM 1037 CA LEU A 130 17.024 34.414 9.192 1.00 0.00 ATOM 1038 CB LEU A 130 16.032 35.577 9.159 1.00 0.00 ATOM 1039 CG LEU A 130 16.118 36.509 7.946 1.00 0.00 ATOM 1040 CD1 LEU A 130 14.977 37.513 7.957 1.00 0.00 ATOM 1041 CD2 LEU A 130 17.431 37.280 7.954 1.00 0.00 ATOM 1042 O LEU A 130 17.734 34.220 11.477 1.00 0.00 ATOM 1043 C LEU A 130 16.978 33.811 10.595 1.00 0.00 ATOM 1044 N LEU A 131 16.122 32.819 10.807 1.00 0.00 ATOM 1045 CA LEU A 131 15.990 32.179 12.114 1.00 0.00 ATOM 1046 CB LEU A 131 14.550 31.708 12.329 1.00 0.00 ATOM 1047 CG LEU A 131 13.475 32.797 12.349 1.00 0.00 ATOM 1048 CD1 LEU A 131 12.089 32.182 12.469 1.00 0.00 ATOM 1049 CD2 LEU A 131 13.683 33.737 13.527 1.00 0.00 ATOM 1050 O LEU A 131 17.019 30.407 13.340 1.00 0.00 ATOM 1051 C LEU A 131 16.906 30.966 12.259 1.00 0.00 ATOM 1052 N CYS A 132 17.532 30.554 11.161 1.00 0.00 ATOM 1053 CA CYS A 132 18.414 29.393 11.164 1.00 0.00 ATOM 1054 CB CYS A 132 19.471 29.526 12.262 1.00 0.00 ATOM 1055 SG CYS A 132 20.481 31.022 12.150 1.00 0.00 ATOM 1056 O CYS A 132 18.315 27.152 12.003 1.00 0.00 ATOM 1057 C CYS A 132 17.721 28.069 11.439 1.00 0.00 ATOM 1058 N LEU A 133 16.495 27.923 10.949 1.00 0.00 ATOM 1059 CA LEU A 133 15.681 26.739 11.253 1.00 0.00 ATOM 1060 CB LEU A 133 14.206 26.926 10.719 1.00 0.00 ATOM 1061 CG LEU A 133 13.441 28.061 11.414 1.00 0.00 ATOM 1062 CD1 LEU A 133 11.987 27.944 11.064 1.00 0.00 ATOM 1063 CD2 LEU A 133 13.577 27.997 12.923 1.00 0.00 ATOM 1064 O LEU A 133 16.071 24.380 11.258 1.00 0.00 ATOM 1065 C LEU A 133 16.230 25.444 10.665 1.00 0.00 ATOM 1066 N GLU A 134 16.886 25.536 9.508 1.00 0.00 ATOM 1067 CA GLU A 134 17.397 24.343 8.830 1.00 0.00 ATOM 1068 CB GLU A 134 17.905 24.698 7.432 1.00 0.00 ATOM 1069 CG GLU A 134 16.808 25.073 6.449 1.00 0.00 ATOM 1070 CD GLU A 134 17.352 25.490 5.097 1.00 0.00 ATOM 1071 OE1 GLU A 134 18.591 25.524 4.941 1.00 0.00 ATOM 1072 OE2 GLU A 134 16.541 25.782 4.194 1.00 0.00 ATOM 1073 O GLU A 134 18.834 22.493 9.316 1.00 0.00 ATOM 1074 C GLU A 134 18.553 23.674 9.556 1.00 0.00 ATOM 1075 N ASN A 135 19.162 24.399 10.488 1.00 0.00 ATOM 1076 CA ASN A 135 20.260 23.864 11.281 1.00 0.00 ATOM 1077 CB ASN A 135 21.233 24.936 11.755 1.00 0.00 ATOM 1078 CG ASN A 135 21.734 25.815 10.586 1.00 0.00 ATOM 1079 ND2 ASN A 135 21.525 27.135 10.691 1.00 0.00 ATOM 1080 OD1 ASN A 135 22.247 25.292 9.586 1.00 0.00 ATOM 1081 O ASN A 135 20.610 22.484 13.205 1.00 0.00 ATOM 1082 C ASN A 135 19.795 23.107 12.524 1.00 0.00 ATOM 1083 N ILE A 136 18.493 23.159 12.813 1.00 0.00 ATOM 1084 CA ILE A 136 17.956 22.520 14.015 1.00 0.00 ATOM 1085 CB ILE A 136 16.438 22.834 14.192 1.00 0.00 ATOM 1086 CG1 ILE A 136 16.337 24.358 14.487 1.00 0.00 ATOM 1087 CG2 ILE A 136 15.852 21.978 15.339 1.00 0.00 ATOM 1088 CD1 ILE A 136 14.932 24.929 14.625 1.00 0.00 ATOM 1089 O ILE A 136 17.999 20.444 12.812 1.00 0.00 ATOM 1090 C ILE A 136 18.070 20.992 13.908 1.00 0.00 ATOM 1091 N LYS A 137 18.351 20.359 15.026 1.00 0.00 ATOM 1092 CA LYS A 137 18.508 18.905 15.054 1.00 0.00 ATOM 1093 CB LYS A 137 19.906 18.485 15.516 1.00 0.00 ATOM 1094 CG LYS A 137 21.013 18.829 14.533 1.00 0.00 ATOM 1095 CD LYS A 137 22.364 18.349 15.035 1.00 0.00 ATOM 1096 CE LYS A 137 23.473 18.693 14.053 1.00 0.00 ATOM 1097 NZ LYS A 137 24.803 18.219 14.527 1.00 0.00 ATOM 1098 O LYS A 137 17.255 18.894 17.068 1.00 0.00 ATOM 1099 C LYS A 137 17.503 18.318 16.020 1.00 0.00 ATOM 1100 N ASP A 138 16.943 17.159 15.669 1.00 0.00 ATOM 1101 CA ASP A 138 16.008 16.421 16.537 1.00 0.00 ATOM 1102 CB ASP A 138 16.722 15.928 17.797 1.00 0.00 ATOM 1103 CG ASP A 138 17.823 14.931 17.490 1.00 0.00 ATOM 1104 OD1 ASP A 138 17.562 13.972 16.736 1.00 0.00 ATOM 1105 OD2 ASP A 138 18.947 15.111 18.006 1.00 0.00 ATOM 1106 O ASP A 138 14.300 17.127 18.074 1.00 0.00 ATOM 1107 C ASP A 138 14.821 17.284 16.971 1.00 0.00 ATOM 1108 N LYS A 139 14.415 18.153 16.095 1.00 0.00 ATOM 1109 CA LYS A 139 13.279 19.037 16.360 1.00 0.00 ATOM 1110 CB LYS A 139 13.802 20.474 16.414 1.00 0.00 ATOM 1111 CG LYS A 139 14.845 20.713 17.493 1.00 0.00 ATOM 1112 CD LYS A 139 14.226 20.659 18.881 1.00 0.00 ATOM 1113 CE LYS A 139 15.260 20.950 19.957 1.00 0.00 ATOM 1114 NZ LYS A 139 14.689 20.808 21.326 1.00 0.00 ATOM 1115 O LYS A 139 12.549 19.056 14.082 1.00 0.00 ATOM 1116 C LYS A 139 12.232 18.935 15.266 1.00 0.00 ATOM 1117 N PRO A 140 10.982 18.703 15.666 1.00 0.00 ATOM 1118 CA PRO A 140 9.862 18.742 14.729 1.00 0.00 ATOM 1119 CB PRO A 140 8.935 17.596 15.069 1.00 0.00 ATOM 1120 CG PRO A 140 9.250 17.365 16.563 1.00 0.00 ATOM 1121 CD PRO A 140 10.650 17.830 16.761 1.00 0.00 ATOM 1122 O PRO A 140 9.149 20.857 15.581 1.00 0.00 ATOM 1123 C PRO A 140 9.471 20.208 14.586 1.00 0.00 ATOM 1124 N TRP A 141 9.594 20.755 13.380 1.00 0.00 ATOM 1125 CA TRP A 141 9.304 22.178 13.172 1.00 0.00 ATOM 1126 CB TRP A 141 10.594 23.000 13.227 1.00 0.00 ATOM 1127 CG TRP A 141 11.571 22.656 12.144 1.00 0.00 ATOM 1128 CD1 TRP A 141 12.517 21.672 12.178 1.00 0.00 ATOM 1129 CD2 TRP A 141 11.699 23.295 10.869 1.00 0.00 ATOM 1130 CE2 TRP A 141 12.743 22.646 10.180 1.00 0.00 ATOM 1131 CE3 TRP A 141 11.034 24.352 10.241 1.00 0.00 ATOM 1132 NE1 TRP A 141 13.227 21.658 11.002 1.00 0.00 ATOM 1133 CZ2 TRP A 141 13.136 23.018 8.897 1.00 0.00 ATOM 1134 CZ3 TRP A 141 11.428 24.719 8.968 1.00 0.00 ATOM 1135 CH2 TRP A 141 12.467 24.056 8.308 1.00 0.00 ATOM 1136 O TRP A 141 8.769 21.699 10.882 1.00 0.00 ATOM 1137 C TRP A 141 8.620 22.453 11.843 1.00 0.00 ATOM 1138 N HIS A 142 7.891 23.561 11.800 1.00 0.00 ATOM 1139 CA HIS A 142 7.184 23.950 10.586 1.00 0.00 ATOM 1140 CB HIS A 142 5.785 23.333 10.574 1.00 0.00 ATOM 1141 CG HIS A 142 5.007 23.622 9.328 1.00 0.00 ATOM 1142 CD2 HIS A 142 3.881 24.479 8.982 1.00 0.00 ATOM 1143 ND1 HIS A 142 5.286 23.020 8.121 1.00 0.00 ATOM 1144 CE1 HIS A 142 4.423 23.477 7.194 1.00 0.00 ATOM 1145 NE2 HIS A 142 3.578 24.352 7.704 1.00 0.00 ATOM 1146 O HIS A 142 6.938 26.057 11.647 1.00 0.00 ATOM 1147 C HIS A 142 7.089 25.457 10.593 1.00 0.00 ATOM 1148 N ILE A 143 7.230 26.069 9.423 1.00 0.00 ATOM 1149 CA ILE A 143 7.019 27.505 9.319 1.00 0.00 ATOM 1150 CB ILE A 143 8.258 28.225 8.754 1.00 0.00 ATOM 1151 CG1 ILE A 143 9.460 28.024 9.680 1.00 0.00 ATOM 1152 CG2 ILE A 143 7.994 29.716 8.624 1.00 0.00 ATOM 1153 CD1 ILE A 143 10.772 28.480 9.083 1.00 0.00 ATOM 1154 O ILE A 143 5.754 27.281 7.287 1.00 0.00 ATOM 1155 C ILE A 143 5.848 27.813 8.396 1.00 0.00 ATOM 1156 N CYS A 144 4.931 28.638 8.860 1.00 0.00 ATOM 1157 CA CYS A 144 3.756 28.984 8.074 1.00 0.00 ATOM 1158 CB CYS A 144 2.515 28.474 8.811 1.00 0.00 ATOM 1159 SG CYS A 144 0.954 28.797 7.957 1.00 0.00 ATOM 1160 O CYS A 144 3.693 31.238 8.893 1.00 0.00 ATOM 1161 C CYS A 144 3.649 30.487 7.911 1.00 0.00 ATOM 1162 N ALA A 145 3.566 30.921 6.657 1.00 0.00 ATOM 1163 CA ALA A 145 3.310 32.326 6.340 1.00 0.00 ATOM 1164 CB ALA A 145 3.483 32.573 4.849 1.00 0.00 ATOM 1165 O ALA A 145 0.957 31.918 6.435 1.00 0.00 ATOM 1166 C ALA A 145 1.878 32.658 6.748 1.00 0.00 ATOM 1167 N SER A 146 1.689 33.735 7.492 1.00 0.00 ATOM 1168 CA SER A 146 0.357 34.131 7.936 1.00 0.00 ATOM 1169 CB SER A 146 0.256 34.059 9.461 1.00 0.00 ATOM 1170 OG SER A 146 0.484 32.739 9.925 1.00 0.00 ATOM 1171 O SER A 146 0.886 36.381 7.319 1.00 0.00 ATOM 1172 C SER A 146 0.009 35.550 7.547 1.00 0.00 ATOM 1173 N ASP A 147 -1.290 35.820 7.487 1.00 0.00 ATOM 1174 CA ASP A 147 -1.780 37.189 7.421 1.00 0.00 ATOM 1175 CB ASP A 147 -2.210 37.523 5.992 1.00 0.00 ATOM 1176 CG ASP A 147 -2.490 39.001 5.798 1.00 0.00 ATOM 1177 OD1 ASP A 147 -2.093 39.800 6.671 1.00 0.00 ATOM 1178 OD2 ASP A 147 -3.105 39.359 4.771 1.00 0.00 ATOM 1179 O ASP A 147 -4.008 36.762 8.112 1.00 0.00 ATOM 1180 C ASP A 147 -2.962 37.348 8.344 1.00 0.00 ATOM 1181 N ALA A 148 -2.248 37.501 10.277 1.00 0.00 ATOM 1182 CA ALA A 148 -3.115 37.311 11.436 1.00 0.00 ATOM 1183 CB ALA A 148 -2.441 37.836 12.694 1.00 0.00 ATOM 1184 O ALA A 148 -5.510 37.513 11.688 1.00 0.00 ATOM 1185 C ALA A 148 -4.459 38.045 11.296 1.00 0.00 ATOM 1186 N ILE A 149 -4.427 39.249 10.726 1.00 0.00 ATOM 1187 CA ILE A 149 -5.647 40.051 10.591 1.00 0.00 ATOM 1188 CB ILE A 149 -5.337 41.467 10.068 1.00 0.00 ATOM 1189 CG1 ILE A 149 -4.563 42.266 11.118 1.00 0.00 ATOM 1190 CG2 ILE A 149 -6.625 42.211 9.750 1.00 0.00 ATOM 1191 CD1 ILE A 149 -3.992 43.567 10.598 1.00 0.00 ATOM 1192 O ILE A 149 -7.878 39.617 9.830 1.00 0.00 ATOM 1193 C ILE A 149 -6.669 39.462 9.629 1.00 0.00 ATOM 1194 N LYS A 150 -6.202 38.777 8.595 1.00 0.00 ATOM 1195 CA LYS A 150 -7.103 38.133 7.650 1.00 0.00 ATOM 1196 CB LYS A 150 -6.512 38.169 6.238 1.00 0.00 ATOM 1197 CG LYS A 150 -6.311 39.570 5.684 1.00 0.00 ATOM 1198 CD LYS A 150 -7.641 40.268 5.452 1.00 0.00 ATOM 1199 CE LYS A 150 -7.444 41.630 4.808 1.00 0.00 ATOM 1200 NZ LYS A 150 -8.738 42.330 4.578 1.00 0.00 ATOM 1201 O LYS A 150 -8.282 36.046 7.428 1.00 0.00 ATOM 1202 C LYS A 150 -7.361 36.663 7.982 1.00 0.00 ATOM 1203 N GLY A 151 -6.540 36.107 8.873 1.00 0.00 ATOM 1204 CA GLY A 151 -6.625 34.707 9.244 1.00 0.00 ATOM 1205 O GLY A 151 -6.169 32.555 8.365 1.00 0.00 ATOM 1206 C GLY A 151 -6.011 33.763 8.231 1.00 0.00 ATOM 1207 N GLU A 152 -5.285 34.278 7.248 1.00 0.00 ATOM 1208 CA GLU A 152 -4.670 33.398 6.243 1.00 0.00 ATOM 1209 CB GLU A 152 -4.210 34.215 5.033 1.00 0.00 ATOM 1210 CG GLU A 152 -5.366 34.711 4.174 1.00 0.00 ATOM 1211 CD GLU A 152 -4.933 35.678 3.084 1.00 0.00 ATOM 1212 OE1 GLU A 152 -3.710 35.857 2.890 1.00 0.00 ATOM 1213 OE2 GLU A 152 -5.821 36.253 2.416 1.00 0.00 ATOM 1214 O GLU A 152 -2.596 33.274 7.473 1.00 0.00 ATOM 1215 C GLU A 152 -3.468 32.666 6.845 1.00 0.00 ATOM 1216 N GLY A 153 -3.460 31.349 6.676 1.00 0.00 ATOM 1217 CA GLY A 153 -2.335 30.517 7.087 1.00 0.00 ATOM 1218 O GLY A 153 -1.695 29.039 8.856 1.00 0.00 ATOM 1219 C GLY A 153 -2.440 29.942 8.491 1.00 0.00 ATOM 1220 N LEU A 154 -3.370 30.450 9.290 1.00 0.00 ATOM 1221 CA LEU A 154 -3.452 30.038 10.690 1.00 0.00 ATOM 1222 CB LEU A 154 -4.480 30.885 11.442 1.00 0.00 ATOM 1223 CG LEU A 154 -4.108 32.349 11.683 1.00 0.00 ATOM 1224 CD1 LEU A 154 -5.286 33.115 12.265 1.00 0.00 ATOM 1225 CD2 LEU A 154 -2.945 32.453 12.657 1.00 0.00 ATOM 1226 O LEU A 154 -3.233 27.825 11.602 1.00 0.00 ATOM 1227 C LEU A 154 -3.868 28.580 10.851 1.00 0.00 ATOM 1228 N GLN A 155 -4.921 28.175 10.147 1.00 0.00 ATOM 1229 CA GLN A 155 -5.401 26.807 10.298 1.00 0.00 ATOM 1230 CB GLN A 155 -6.840 26.703 9.640 1.00 0.00 ATOM 1231 CG GLN A 155 -7.899 27.504 10.466 1.00 0.00 ATOM 1232 CD GLN A 155 -9.268 27.381 9.789 1.00 0.00 ATOM 1233 OE1 GLN A 155 -10.283 27.201 10.433 1.00 0.00 ATOM 1234 NE2 GLN A 155 -9.260 27.493 8.469 1.00 0.00 ATOM 1235 O GLN A 155 -4.318 24.681 10.284 1.00 0.00 ATOM 1236 C GLN A 155 -4.408 25.790 9.760 1.00 0.00 ATOM 1237 N GLU A 156 -3.640 26.183 8.742 1.00 0.00 ATOM 1238 CA GLU A 156 -2.600 25.315 8.200 1.00 0.00 ATOM 1239 CB GLU A 156 -1.964 25.950 6.962 1.00 0.00 ATOM 1240 CG GLU A 156 -2.878 25.995 5.749 1.00 0.00 ATOM 1241 CD GLU A 156 -2.261 26.738 4.581 1.00 0.00 ATOM 1242 OE1 GLU A 156 -1.148 27.281 4.744 1.00 0.00 ATOM 1243 OE2 GLU A 156 -2.890 26.780 3.503 1.00 0.00 ATOM 1244 O GLU A 156 -0.952 24.019 9.370 1.00 0.00 ATOM 1245 C GLU A 156 -1.505 25.119 9.243 1.00 0.00 ATOM 1246 N GLY A 157 -1.166 26.173 9.975 1.00 0.00 ATOM 1247 CA GLY A 157 -0.239 26.005 11.081 1.00 0.00 ATOM 1248 O GLY A 157 -0.058 24.124 12.567 1.00 0.00 ATOM 1249 C GLY A 157 -0.779 25.018 12.099 1.00 0.00 ATOM 1250 N VAL A 158 -2.058 25.177 12.438 1.00 0.00 ATOM 1251 CA VAL A 158 -2.725 24.292 13.392 1.00 0.00 ATOM 1252 CB VAL A 158 -4.164 24.758 13.684 1.00 0.00 ATOM 1253 CG1 VAL A 158 -4.900 23.722 14.519 1.00 0.00 ATOM 1254 CG2 VAL A 158 -4.153 26.073 14.448 1.00 0.00 ATOM 1255 O VAL A 158 -2.843 21.941 13.725 1.00 0.00 ATOM 1256 C VAL A 158 -2.833 22.851 12.913 1.00 0.00 ATOM 1257 N ASP A 159 -2.982 22.650 11.603 1.00 0.00 ATOM 1258 CA ASP A 159 -2.974 21.298 11.035 1.00 0.00 ATOM 1259 CB ASP A 159 -3.100 21.357 9.512 1.00 0.00 ATOM 1260 CG ASP A 159 -4.493 21.747 9.058 1.00 0.00 ATOM 1261 OD1 ASP A 159 -5.416 21.740 9.899 1.00 0.00 ATOM 1262 OD2 ASP A 159 -4.662 22.059 7.861 1.00 0.00 ATOM 1263 O ASP A 159 -1.652 19.442 11.826 1.00 0.00 ATOM 1264 C ASP A 159 -1.666 20.582 11.363 1.00 0.00 ATOM 1265 N TRP A 160 -0.501 21.265 11.151 1.00 0.00 ATOM 1266 CA TRP A 160 0.805 20.678 11.465 1.00 0.00 ATOM 1267 CB TRP A 160 1.933 21.634 11.074 1.00 0.00 ATOM 1268 CG TRP A 160 3.299 21.112 11.396 1.00 0.00 ATOM 1269 CD1 TRP A 160 4.066 20.290 10.622 1.00 0.00 ATOM 1270 CD2 TRP A 160 4.065 21.379 12.578 1.00 0.00 ATOM 1271 CE2 TRP A 160 5.283 20.684 12.453 1.00 0.00 ATOM 1272 CE3 TRP A 160 3.837 22.136 13.732 1.00 0.00 ATOM 1273 NE1 TRP A 160 5.260 20.026 11.248 1.00 0.00 ATOM 1274 CZ2 TRP A 160 6.272 20.725 13.435 1.00 0.00 ATOM 1275 CZ3 TRP A 160 4.820 22.175 14.702 1.00 0.00 ATOM 1276 CH2 TRP A 160 6.021 21.473 14.551 1.00 0.00 ATOM 1277 O TRP A 160 1.325 19.316 13.368 1.00 0.00 ATOM 1278 C TRP A 160 0.916 20.402 12.964 1.00 0.00 ATOM 1279 N LEU A 161 0.563 21.399 13.778 1.00 0.00 ATOM 1280 CA LEU A 161 0.667 21.295 15.232 1.00 0.00 ATOM 1281 CB LEU A 161 0.240 22.607 15.894 1.00 0.00 ATOM 1282 CG LEU A 161 0.294 22.644 17.423 1.00 0.00 ATOM 1283 CD1 LEU A 161 1.717 22.431 17.915 1.00 0.00 ATOM 1284 CD2 LEU A 161 -0.194 23.987 17.945 1.00 0.00 ATOM 1285 O LEU A 161 0.212 19.408 16.649 1.00 0.00 ATOM 1286 C LEU A 161 -0.229 20.179 15.794 1.00 0.00 ATOM 1287 N GLN A 162 -1.461 20.076 15.290 1.00 0.00 ATOM 1288 CA GLN A 162 -2.363 19.011 15.741 1.00 0.00 ATOM 1289 CB GLN A 162 -3.736 19.182 15.115 1.00 0.00 ATOM 1290 CG GLN A 162 -4.691 18.063 15.528 1.00 0.00 ATOM 1291 CD GLN A 162 -6.047 18.301 14.841 1.00 0.00 ATOM 1292 OE1 GLN A 162 -6.152 18.769 13.677 1.00 0.00 ATOM 1293 NE2 GLN A 162 -7.130 17.942 15.540 1.00 0.00 ATOM 1294 O GLN A 162 -1.744 16.726 16.142 1.00 0.00 ATOM 1295 C GLN A 162 -1.767 17.659 15.330 1.00 0.00 ATOM 1296 N ASP A 163 -1.224 17.542 14.113 1.00 0.00 ATOM 1297 CA ASP A 163 -0.604 16.283 13.686 1.00 0.00 ATOM 1298 CB ASP A 163 -0.116 16.405 12.242 1.00 0.00 ATOM 1299 CG ASP A 163 -1.254 16.415 11.240 1.00 0.00 ATOM 1300 OD1 ASP A 163 -2.394 16.091 11.634 1.00 0.00 ATOM 1301 OD2 ASP A 163 -1.006 16.745 10.062 1.00 0.00 ATOM 1302 O ASP A 163 0.816 14.691 14.777 1.00 0.00 ATOM 1303 C ASP A 163 0.597 15.877 14.530 1.00 0.00 ATOM 1304 N GLN A 164 1.396 16.856 14.951 1.00 0.00 ATOM 1305 CA GLN A 164 2.534 16.589 15.838 1.00 0.00 ATOM 1306 CB GLN A 164 3.318 17.876 16.107 1.00 0.00 ATOM 1307 CG GLN A 164 4.041 18.428 14.889 1.00 0.00 ATOM 1308 CD GLN A 164 5.084 17.472 14.346 1.00 0.00 ATOM 1309 OE1 GLN A 164 5.861 16.891 15.104 1.00 0.00 ATOM 1310 NE2 GLN A 164 5.103 17.304 13.029 1.00 0.00 ATOM 1311 O GLN A 164 2.834 15.175 17.751 1.00 0.00 ATOM 1312 C GLN A 164 2.130 16.027 17.194 1.00 0.00 ATOM 1313 N ILE A 165 1.024 16.530 17.736 1.00 0.00 ATOM 1314 CA ILE A 165 0.698 16.271 19.132 1.00 0.00 ATOM 1315 CB ILE A 165 0.117 17.521 19.817 1.00 0.00 ATOM 1316 CG1 ILE A 165 1.067 18.710 19.651 1.00 0.00 ATOM 1317 CG2 ILE A 165 -0.085 17.270 21.302 1.00 0.00 ATOM 1318 CD1 ILE A 165 2.464 18.450 20.169 1.00 0.00 ATOM 1319 O ILE A 165 -0.355 14.549 20.416 1.00 0.00 ATOM 1320 C ILE A 165 -0.332 15.166 19.343 1.00 0.00 ENDMDL EXPDTA 2h57A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h57A ATOM 1 N GLU A 1 -6.687 19.205 26.384 1.00 0.00 ATOM 2 CA GLU A 1 -5.538 18.305 26.705 1.00 0.00 ATOM 3 CB GLU A 1 -5.775 16.933 26.072 1.00 0.00 ATOM 4 O GLU A 1 -3.126 18.174 26.604 1.00 0.00 ATOM 5 C GLU A 1 -4.139 18.817 26.266 1.00 0.00 ATOM 6 N VAL A 2 -4.063 19.947 25.531 1.00 0.00 ATOM 7 CA VAL A 2 -2.766 20.392 24.922 1.00 0.00 ATOM 8 CB VAL A 2 -2.785 20.271 23.392 1.00 0.00 ATOM 9 CG1 VAL A 2 -1.359 20.463 22.829 1.00 0.00 ATOM 10 CG2 VAL A 2 -3.367 18.922 22.980 1.00 0.00 ATOM 11 O VAL A 2 -2.919 22.808 24.860 1.00 0.00 ATOM 12 C VAL A 2 -2.313 21.820 25.288 1.00 0.00 ATOM 13 N HIS A 3 -1.227 21.887 26.058 1.00 0.00 ATOM 14 CA HIS A 3 -0.670 23.139 26.564 1.00 0.00 ATOM 15 CB HIS A 3 -0.101 22.945 27.970 1.00 0.00 ATOM 16 CG HIS A 3 -1.144 22.665 29.017 1.00 0.00 ATOM 17 CD2 HIS A 3 -1.425 23.292 30.189 1.00 0.00 ATOM 18 ND1 HIS A 3 -2.033 21.612 28.921 1.00 0.00 ATOM 19 CE1 HIS A 3 -2.825 21.614 29.980 1.00 0.00 ATOM 20 NE2 HIS A 3 -2.476 22.620 30.765 1.00 0.00 ATOM 21 O HIS A 3 1.457 23.084 25.407 1.00 0.00 ATOM 22 C HIS A 3 0.425 23.714 25.635 1.00 0.00 ATOM 23 N VAL A 4 0.163 24.925 25.144 1.00 0.00 ATOM 24 CA VAL A 4 0.990 25.616 24.137 1.00 0.00 ATOM 25 CB VAL A 4 0.137 25.961 22.879 1.00 0.00 ATOM 26 CG1 VAL A 4 0.881 26.902 21.936 1.00 0.00 ATOM 27 CG2 VAL A 4 -0.269 24.689 22.151 1.00 0.00 ATOM 28 O VAL A 4 0.807 27.646 25.397 1.00 0.00 ATOM 29 C VAL A 4 1.530 26.928 24.706 1.00 0.00 ATOM 30 N LEU A 5 2.794 27.226 24.431 1.00 0.00 ATOM 31 CA LEU A 5 3.359 28.536 24.742 1.00 0.00 ATOM 32 CB LEU A 5 4.762 28.446 25.323 1.00 0.00 ATOM 33 CG LEU A 5 5.103 27.491 26.475 1.00 0.00 ATOM 34 CD1 LEU A 5 6.547 27.760 26.859 1.00 0.00 ATOM 35 CD2 LEU A 5 4.181 27.640 27.676 1.00 0.00 ATOM 36 O LEU A 5 3.949 28.876 22.450 1.00 0.00 ATOM 37 C LEU A 5 3.441 29.350 23.470 1.00 0.00 ATOM 38 N CYS A 6 2.942 30.568 23.533 1.00 0.00 ATOM 39 CA CYS A 6 3.018 31.495 22.404 1.00 0.00 ATOM 40 CB CYS A 6 1.663 32.099 22.092 1.00 0.00 ATOM 41 SG CYS A 6 1.630 32.819 20.419 1.00 0.00 ATOM 42 O CYS A 6 3.822 33.347 23.664 1.00 0.00 ATOM 43 C CYS A 6 4.016 32.564 22.716 1.00 0.00 ATOM 44 N LEU A 7 5.118 32.531 21.958 1.00 0.00 ATOM 45 CA LEU A 7 6.306 33.351 22.165 1.00 0.00 ATOM 46 CB LEU A 7 7.473 32.456 22.552 1.00 0.00 ATOM 47 CG LEU A 7 7.262 31.546 23.772 1.00 0.00 ATOM 48 CD1 LEU A 7 8.499 30.631 23.987 1.00 0.00 ATOM 49 CD2 LEU A 7 6.965 32.413 25.073 1.00 0.00 ATOM 50 O LEU A 7 6.173 33.802 19.797 1.00 0.00 ATOM 51 C LEU A 7 6.645 34.133 20.874 1.00 0.00 ATOM 52 N GLY A 8 7.426 35.191 21.039 1.00 0.00 ATOM 53 CA GLY A 8 7.780 36.111 19.983 1.00 0.00 ATOM 54 O GLY A 8 7.303 37.814 21.615 1.00 0.00 ATOM 55 C GLY A 8 7.840 37.512 20.534 1.00 0.00 ATOM 56 N LEU A 9 8.471 38.392 19.811 1.00 0.00 ATOM 57 CA LEU A 9 8.595 39.736 20.281 1.00 0.00 ATOM 58 CB LEU A 9 9.565 40.550 19.440 1.00 0.00 ATOM 59 CG LEU A 9 10.998 40.041 19.355 1.00 0.00 ATOM 60 CD1 LEU A 9 11.802 40.955 18.453 1.00 0.00 ATOM 61 CD2 LEU A 9 11.648 39.874 20.742 1.00 0.00 ATOM 62 O LEU A 9 6.304 39.978 19.682 1.00 0.00 ATOM 63 C LEU A 9 7.256 40.431 20.301 1.00 0.00 ATOM 64 N ASP A 10 7.211 41.535 21.042 1.00 0.00 ATOM 65 CA ASP A 10 6.067 42.409 21.070 1.00 0.00 ATOM 66 CB ASP A 10 6.272 43.583 22.022 1.00 0.00 ATOM 67 CG ASP A 10 7.509 44.423 21.671 1.00 0.00 ATOM 68 OD1 ASP A 10 8.611 43.920 21.949 1.00 0.00 ATOM 69 OD2 ASP A 10 7.384 45.584 21.149 1.00 0.00 ATOM 70 O ASP A 10 6.750 43.103 18.851 1.00 0.00 ATOM 71 C ASP A 10 5.814 42.927 19.651 1.00 0.00 ATOM 72 N ASN A 11 4.545 43.153 19.346 1.00 0.00 ATOM 73 CA ASN A 11 4.130 43.601 18.011 1.00 0.00 ATOM 74 CB ASN A 11 4.897 44.890 17.589 1.00 0.00 ATOM 75 CG ASN A 11 4.117 45.741 16.585 1.00 0.00 ATOM 76 ND2 ASN A 11 4.820 46.558 15.764 1.00 0.00 ATOM 77 OD1 ASN A 11 2.923 45.671 16.562 1.00 0.00 ATOM 78 O ASN A 11 4.222 42.899 15.712 1.00 0.00 ATOM 79 C ASN A 11 4.303 42.554 16.898 1.00 0.00 ATOM 80 N SER A 12 4.534 41.292 17.244 1.00 0.00 ATOM 81 CA SER A 12 4.671 40.260 16.214 1.00 0.00 ATOM 82 CB SER A 12 5.550 39.094 16.688 1.00 0.00 ATOM 83 OG SER A 12 5.120 38.574 17.918 1.00 0.00 ATOM 84 O SER A 12 3.204 39.325 14.553 1.00 0.00 ATOM 85 C SER A 12 3.300 39.759 15.705 1.00 0.00 ATOM 86 N GLY A 13 2.268 39.807 16.572 1.00 0.00 ATOM 87 CA GLY A 13 0.906 39.340 16.247 1.00 0.00 ATOM 88 O GLY A 13 -0.638 37.536 16.668 1.00 0.00 ATOM 89 C GLY A 13 0.400 38.130 17.018 1.00 0.00 ATOM 90 N LYS A 14 1.096 37.777 18.108 1.00 0.00 ATOM 91 CA LYS A 14 0.764 36.603 18.912 1.00 0.00 ATOM 92 CB LYS A 14 1.650 36.575 20.175 1.00 0.00 ATOM 93 CG LYS A 14 3.145 36.477 19.850 1.00 0.00 ATOM 94 CD LYS A 14 3.966 36.228 21.121 1.00 0.00 ATOM 95 CE LYS A 14 3.971 37.362 22.020 1.00 0.00 ATOM 96 NZ LYS A 14 4.471 38.604 21.364 1.00 0.00 ATOM 97 O LYS A 14 -1.367 35.577 19.110 1.00 0.00 ATOM 98 C LYS A 14 -0.674 36.556 19.356 1.00 0.00 ATOM 99 N THR A 15 -1.120 37.610 20.024 1.00 0.00 ATOM 100 CA THR A 15 -2.483 37.647 20.590 1.00 0.00 ATOM 101 CB THR A 15 -2.625 38.837 21.562 1.00 0.00 ATOM 102 CG2 THR A 15 -4.055 38.912 22.192 1.00 0.00 ATOM 103 OG1 THR A 15 -1.614 38.734 22.600 1.00 0.00 ATOM 104 O THR A 15 -4.610 37.155 19.556 1.00 0.00 ATOM 105 C THR A 15 -3.536 37.717 19.451 1.00 0.00 ATOM 106 N THR A 16 -3.226 38.456 18.395 1.00 0.00 ATOM 107 CA THR A 16 -4.090 38.476 17.173 1.00 0.00 ATOM 108 CB THR A 16 -3.541 39.426 16.133 1.00 0.00 ATOM 109 CG2 THR A 16 -4.439 39.455 14.857 1.00 0.00 ATOM 110 OG1 THR A 16 -3.499 40.739 16.699 1.00 0.00 ATOM 111 O THR A 16 -5.410 36.688 16.262 1.00 0.00 ATOM 112 C THR A 16 -4.292 37.065 16.589 1.00 0.00 ATOM 113 N ILE A 17 -3.218 36.299 16.475 1.00 0.00 ATOM 114 CA ILE A 17 -3.282 34.926 15.984 1.00 0.00 ATOM 115 CB ILE A 17 -1.875 34.297 15.777 1.00 0.00 ATOM 116 CG1 ILE A 17 -1.167 34.893 14.562 1.00 0.00 ATOM 117 CG2 ILE A 17 -1.961 32.717 15.592 1.00 0.00 ATOM 118 CD1 ILE A 17 0.406 34.567 14.450 1.00 0.00 ATOM 119 O ILE A 17 -4.940 33.205 16.406 1.00 0.00 ATOM 120 C ILE A 17 -4.097 34.009 16.885 1.00 0.00 ATOM 121 N ILE A 18 -3.856 34.086 18.200 1.00 0.00 ATOM 122 CA ILE A 18 -4.553 33.237 19.151 1.00 0.00 ATOM 123 CB ILE A 18 -3.969 33.447 20.584 1.00 0.00 ATOM 124 CG1 ILE A 18 -2.553 32.874 20.632 1.00 0.00 ATOM 125 CG2 ILE A 18 -4.854 32.799 21.632 1.00 0.00 ATOM 126 CD1 ILE A 18 -1.723 33.355 21.791 1.00 0.00 ATOM 127 O ILE A 18 -6.872 32.684 19.102 1.00 0.00 ATOM 128 C ILE A 18 -6.046 33.556 19.113 1.00 0.00 ATOM 129 N ASN A 19 -6.359 34.866 19.086 1.00 0.00 ATOM 130 CA ASN A 19 -7.745 35.345 19.000 1.00 0.00 ATOM 131 CB ASN A 19 -7.728 36.874 18.910 1.00 0.00 ATOM 132 CG ASN A 19 -9.093 37.489 19.079 1.00 0.00 ATOM 133 ND2 ASN A 19 -9.593 38.198 18.020 1.00 0.00 ATOM 134 OD1 ASN A 19 -9.710 37.349 20.148 1.00 0.00 ATOM 135 O ASN A 19 -9.647 34.345 17.848 1.00 0.00 ATOM 136 C ASN A 19 -8.496 34.755 17.767 1.00 0.00 ATOM 137 N LYS A 20 -7.804 34.711 16.638 1.00 0.00 ATOM 138 CA LYS A 20 -8.367 34.259 15.361 1.00 0.00 ATOM 139 CB LYS A 20 -7.408 34.643 14.198 1.00 0.00 ATOM 140 CG LYS A 20 -8.099 34.869 12.839 1.00 0.00 ATOM 141 CD LYS A 20 -9.111 36.029 12.912 1.00 0.00 ATOM 142 CE LYS A 20 -9.545 36.483 11.521 1.00 0.00 ATOM 143 NZ LYS A 20 -9.891 35.296 10.687 1.00 0.00 ATOM 144 O LYS A 20 -9.537 32.291 14.623 1.00 0.00 ATOM 145 C LYS A 20 -8.657 32.761 15.355 1.00 0.00 ATOM 146 N LEU A 21 -7.931 32.014 16.184 1.00 0.00 ATOM 147 CA LEU A 21 -8.139 30.588 16.338 1.00 0.00 ATOM 148 CB LEU A 21 -6.921 29.931 17.003 1.00 0.00 ATOM 149 CG LEU A 21 -5.606 29.998 16.267 1.00 0.00 ATOM 150 CD1 LEU A 21 -4.495 29.226 17.061 1.00 0.00 ATOM 151 CD2 LEU A 21 -5.770 29.439 14.819 1.00 0.00 ATOM 152 O LEU A 21 -9.854 29.120 17.184 1.00 0.00 ATOM 153 C LEU A 21 -9.400 30.272 17.166 1.00 0.00 ATOM 154 N LYS A 22 -9.929 31.284 17.857 1.00 0.00 ATOM 155 CA LYS A 22 -11.146 31.130 18.688 1.00 0.00 ATOM 156 CB LYS A 22 -11.259 32.256 19.695 1.00 0.00 ATOM 157 CG LYS A 22 -10.315 32.160 20.848 1.00 0.00 ATOM 158 CD LYS A 22 -10.392 33.410 21.652 1.00 0.00 ATOM 159 CE LYS A 22 -9.411 33.388 22.762 1.00 0.00 ATOM 160 NZ LYS A 22 -9.709 34.477 23.726 1.00 0.00 ATOM 161 O LYS A 22 -12.443 31.743 16.764 1.00 0.00 ATOM 162 C LYS A 22 -12.422 31.154 17.856 1.00 0.00 ATOM 163 N PRO A 23 -13.505 30.547 18.391 1.00 0.00 ATOM 164 CA PRO A 23 -14.843 30.696 17.785 1.00 0.00 ATOM 165 CB PRO A 23 -15.768 29.984 18.779 1.00 0.00 ATOM 166 CG PRO A 23 -14.881 29.017 19.508 1.00 0.00 ATOM 167 CD PRO A 23 -13.530 29.674 19.584 1.00 0.00 ATOM 168 O PRO A 23 -14.807 32.981 18.507 1.00 0.00 ATOM 169 C PRO A 23 -15.217 32.164 17.664 1.00 0.00 ATOM 170 N SER A 24 -15.973 32.499 16.622 1.00 0.00 ATOM 171 CA SER A 24 -16.335 33.889 16.343 1.00 0.00 ATOM 172 CB SER A 24 -17.360 33.947 15.192 1.00 0.00 ATOM 173 OG SER A 24 -18.423 33.008 15.387 1.00 0.00 ATOM 174 O SER A 24 -16.456 35.773 17.844 1.00 0.00 ATOM 175 C SER A 24 -16.867 34.640 17.577 1.00 0.00 ATOM 176 N ASN A 25 -17.781 33.996 18.310 1.00 0.00 ATOM 177 CA ASN A 25 -18.398 34.541 19.548 1.00 0.00 ATOM 178 CB ASN A 25 -19.417 33.529 20.125 1.00 0.00 ATOM 179 O ASN A 25 -17.648 35.805 21.453 1.00 0.00 ATOM 180 C ASN A 25 -17.396 34.894 20.655 1.00 0.00 ATOM 181 N ALA A 26 -16.274 34.161 20.689 1.00 0.00 ATOM 182 CA ALA A 26 -15.242 34.296 21.726 1.00 0.00 ATOM 183 CB ALA A 26 -14.621 32.914 22.012 1.00 0.00 ATOM 184 O ALA A 26 -13.290 35.561 22.247 1.00 0.00 ATOM 185 C ALA A 26 -14.131 35.303 21.403 1.00 0.00 ATOM 186 N GLN A 27 -14.134 35.872 20.188 1.00 0.00 ATOM 187 CA GLN A 27 -13.025 36.723 19.711 1.00 0.00 ATOM 188 CB GLN A 27 -12.962 36.708 18.175 1.00 0.00 ATOM 189 CG GLN A 27 -12.781 35.305 17.596 1.00 0.00 ATOM 190 CD GLN A 27 -12.579 35.299 16.107 1.00 0.00 ATOM 191 OE1 GLN A 27 -12.573 36.339 15.470 1.00 0.00 ATOM 192 NE2 GLN A 27 -12.424 34.118 15.541 1.00 0.00 ATOM 193 O GLN A 27 -14.106 38.811 20.236 1.00 0.00 ATOM 194 C GLN A 27 -13.063 38.176 20.208 1.00 0.00 ATOM 195 N SER A 28 -11.900 38.690 20.594 1.00 0.00 ATOM 196 CA SER A 28 -11.760 40.083 21.010 1.00 0.00 ATOM 197 CB SER A 28 -10.536 40.246 21.921 1.00 0.00 ATOM 198 OG SER A 28 -10.301 41.606 22.249 1.00 0.00 ATOM 199 O SER A 28 -11.046 40.617 18.775 1.00 0.00 ATOM 200 C SER A 28 -11.646 40.987 19.789 1.00 0.00 ATOM 201 N GLN A 29 -12.220 42.178 19.897 1.00 0.00 ATOM 202 CA GLN A 29 -12.229 43.149 18.803 1.00 0.00 ATOM 203 CB GLN A 29 -13.635 43.753 18.651 1.00 0.00 ATOM 204 CG GLN A 29 -14.748 42.703 18.432 1.00 0.00 ATOM 205 CD GLN A 29 -14.489 41.821 17.220 1.00 0.00 ATOM 206 OE1 GLN A 29 -14.419 40.586 17.328 1.00 0.00 ATOM 207 NE2 GLN A 29 -14.332 42.447 16.061 1.00 0.00 ATOM 208 O GLN A 29 -10.795 44.872 17.974 1.00 0.00 ATOM 209 C GLN A 29 -11.188 44.266 18.963 1.00 0.00 ATOM 210 N ASN A 30 -10.762 44.542 20.198 1.00 0.00 ATOM 211 CA ASN A 30 -9.664 45.486 20.457 1.00 0.00 ATOM 212 CB ASN A 30 -10.155 46.709 21.240 1.00 0.00 ATOM 213 CG ASN A 30 -11.069 47.608 20.414 1.00 0.00 ATOM 214 ND2 ASN A 30 -12.064 48.211 21.085 1.00 0.00 ATOM 215 OD1 ASN A 30 -10.890 47.762 19.184 1.00 0.00 ATOM 216 O ASN A 30 -8.550 44.680 22.445 1.00 0.00 ATOM 217 C ASN A 30 -8.510 44.816 21.216 1.00 0.00 ATOM 218 N ILE A 31 -7.489 44.408 20.473 1.00 0.00 ATOM 219 CA ILE A 31 -6.338 43.692 21.042 1.00 0.00 ATOM 220 CB ILE A 31 -5.838 42.578 20.087 1.00 0.00 ATOM 221 CG1 ILE A 31 -6.902 41.475 20.006 1.00 0.00 ATOM 222 CG2 ILE A 31 -4.528 41.994 20.566 1.00 0.00 ATOM 223 CD1 ILE A 31 -6.749 40.572 18.903 1.00 0.00 ATOM 224 O ILE A 31 -4.826 45.461 20.480 1.00 0.00 ATOM 225 C ILE A 31 -5.269 44.704 21.364 1.00 0.00 ATOM 226 N LEU A 32 -4.914 44.762 22.657 1.00 0.00 ATOM 227 CA LEU A 32 -3.909 45.656 23.172 1.00 0.00 ATOM 228 CB LEU A 32 -4.465 46.443 24.362 1.00 0.00 ATOM 229 CG LEU A 32 -5.699 47.327 24.082 1.00 0.00 ATOM 230 CD1 LEU A 32 -6.227 47.909 25.363 1.00 0.00 ATOM 231 CD2 LEU A 32 -5.406 48.457 23.105 1.00 0.00 ATOM 232 O LEU A 32 -2.751 43.620 23.767 1.00 0.00 ATOM 233 C LEU A 32 -2.659 44.823 23.589 1.00 0.00 ATOM 234 N PRO A 33 -1.499 45.472 23.704 1.00 0.00 ATOM 235 CA PRO A 33 -0.302 44.756 24.167 1.00 0.00 ATOM 236 CB PRO A 33 0.682 45.873 24.466 1.00 0.00 ATOM 237 CG PRO A 33 0.288 46.981 23.563 1.00 0.00 ATOM 238 CD PRO A 33 -1.218 46.900 23.478 1.00 0.00 ATOM 239 O PRO A 33 -1.408 44.393 26.296 1.00 0.00 ATOM 240 C PRO A 33 -0.655 43.937 25.421 1.00 0.00 ATOM 241 N THR A 34 -0.179 42.707 25.466 1.00 0.00 ATOM 242 CA THR A 34 -0.406 41.842 26.564 1.00 0.00 ATOM 243 CB THR A 34 -0.030 40.400 26.143 1.00 0.00 ATOM 244 CG2 THR A 34 -0.290 39.448 27.210 1.00 0.00 ATOM 245 OG1 THR A 34 -0.857 40.061 25.020 1.00 0.00 ATOM 246 O THR A 34 1.487 42.670 27.737 1.00 0.00 ATOM 247 C THR A 34 0.351 42.316 27.813 1.00 0.00 ATOM 248 N ILE A 35 -0.345 42.351 28.952 1.00 0.00 ATOM 249 CA ILE A 35 0.242 42.798 30.212 1.00 0.00 ATOM 250 CB ILE A 35 -0.803 43.584 31.055 1.00 0.00 ATOM 251 CG1 ILE A 35 -1.349 44.775 30.236 1.00 0.00 ATOM 252 CG2 ILE A 35 -0.184 44.095 32.389 1.00 0.00 ATOM 253 CD1 ILE A 35 -2.682 45.339 30.783 1.00 0.00 ATOM 254 O ILE A 35 -0.076 40.789 31.510 1.00 0.00 ATOM 255 C ILE A 35 0.727 41.561 30.939 1.00 0.00 ATOM 256 N GLY A 36 2.024 41.319 30.853 1.00 0.00 ATOM 257 CA GLY A 36 2.610 40.088 31.360 1.00 0.00 ATOM 258 O GLY A 36 3.239 38.394 29.776 1.00 0.00 ATOM 259 C GLY A 36 2.368 38.843 30.526 1.00 0.00 ATOM 260 N PHE A 37 1.221 38.233 30.739 1.00 0.00 ATOM 261 CA PHE A 37 0.716 37.202 29.869 1.00 0.00 ATOM 262 CB PHE A 37 1.461 35.925 30.111 1.00 0.00 ATOM 263 CG PHE A 37 1.294 35.378 31.506 1.00 0.00 ATOM 264 CD1 PHE A 37 2.130 35.773 32.525 1.00 0.00 ATOM 265 CD2 PHE A 37 0.286 34.480 31.790 1.00 0.00 ATOM 266 CE1 PHE A 37 1.967 35.267 33.819 1.00 0.00 ATOM 267 CE2 PHE A 37 0.127 33.939 33.144 1.00 0.00 ATOM 268 CZ PHE A 37 0.971 34.350 34.104 1.00 0.00 ATOM 269 O PHE A 37 -1.318 37.590 31.068 1.00 0.00 ATOM 270 C PHE A 37 -0.776 37.000 30.113 1.00 0.00 ATOM 271 N SER A 38 -1.416 36.174 29.252 1.00 0.00 ATOM 272 CA SER A 38 -2.816 35.750 29.395 1.00 0.00 ATOM 273 CB SER A 38 -3.716 36.411 28.337 1.00 0.00 ATOM 274 OG SER A 38 -3.614 37.815 28.416 1.00 0.00 ATOM 275 O SER A 38 -1.925 33.716 28.599 1.00 0.00 ATOM 276 C SER A 38 -2.853 34.265 29.176 1.00 0.00 ATOM 277 N ILE A 39 -3.911 33.619 29.622 1.00 0.00 ATOM 278 CA ILE A 39 -4.178 32.213 29.287 1.00 0.00 ATOM 279 CB ILE A 39 -4.266 31.299 30.519 1.00 0.00 ATOM 280 CG1 ILE A 39 -2.934 31.334 31.315 1.00 0.00 ATOM 281 CG2 ILE A 39 -4.486 29.875 30.114 1.00 0.00 ATOM 282 CD1 ILE A 39 -2.969 30.538 32.727 1.00 0.00 ATOM 283 O ILE A 39 -6.523 32.634 28.910 1.00 0.00 ATOM 284 C ILE A 39 -5.476 32.156 28.474 1.00 0.00 ATOM 285 N GLU A 40 -5.396 31.583 27.274 1.00 0.00 ATOM 286 CA GLU A 40 -6.571 31.479 26.396 1.00 0.00 ATOM 287 CB GLU A 40 -6.362 32.231 25.073 1.00 0.00 ATOM 288 CG GLU A 40 -5.826 33.629 25.200 1.00 0.00 ATOM 289 CD GLU A 40 -6.772 34.578 25.900 1.00 0.00 ATOM 290 OE1 GLU A 40 -6.271 35.561 26.455 1.00 0.00 ATOM 291 OE2 GLU A 40 -8.011 34.348 25.897 1.00 0.00 ATOM 292 O GLU A 40 -5.966 29.198 26.166 1.00 0.00 ATOM 293 C GLU A 40 -6.842 30.046 26.080 1.00 0.00 ATOM 294 N LYS A 41 -8.070 29.784 25.708 1.00 0.00 ATOM 295 CA LYS A 41 -8.424 28.521 25.103 1.00 0.00 ATOM 296 CB LYS A 41 -9.395 27.778 26.024 1.00 0.00 ATOM 297 CG LYS A 41 -8.646 27.176 27.274 1.00 0.00 ATOM 298 CD LYS A 41 -9.399 27.317 28.606 1.00 0.00 ATOM 299 CE LYS A 41 -8.756 26.444 29.754 1.00 0.00 ATOM 300 NZ LYS A 41 -7.973 27.174 30.858 1.00 0.00 ATOM 301 O LYS A 41 -9.598 29.720 23.309 1.00 0.00 ATOM 302 C LYS A 41 -8.952 28.717 23.635 1.00 0.00 ATOM 303 N PHE A 42 -8.579 27.778 22.768 1.00 0.00 ATOM 304 CA PHE A 42 -9.134 27.642 21.414 1.00 0.00 ATOM 305 CB PHE A 42 -8.197 28.269 20.344 1.00 0.00 ATOM 306 CG PHE A 42 -6.760 28.428 20.791 1.00 0.00 ATOM 307 O PHE A 42 -9.112 25.269 22.010 1.00 0.00 ATOM 308 C PHE A 42 -9.397 26.132 21.141 1.00 0.00 ATOM 309 N LYS A 43 -9.973 25.826 19.968 1.00 0.00 ATOM 310 CA LYS A 43 -10.234 24.430 19.552 1.00 0.00 ATOM 311 CB LYS A 43 -11.652 24.007 19.923 1.00 0.00 ATOM 312 CG LYS A 43 -11.905 23.980 21.420 1.00 0.00 ATOM 313 CD LYS A 43 -13.198 23.260 21.758 1.00 0.00 ATOM 314 O LYS A 43 -10.341 25.097 17.243 1.00 0.00 ATOM 315 C LYS A 43 -9.993 24.234 18.053 1.00 0.00 ATOM 316 N SER A 44 -9.377 23.100 17.708 1.00 0.00 ATOM 317 CA SER A 44 -9.075 22.735 16.325 1.00 0.00 ATOM 318 CB SER A 44 -7.643 22.197 16.232 1.00 0.00 ATOM 319 O SER A 44 -11.217 21.622 16.326 1.00 0.00 ATOM 320 C SER A 44 -10.080 21.676 15.837 1.00 0.00 ATOM 321 N SER A 45 -9.671 20.844 14.879 1.00 0.00 ATOM 322 CA SER A 45 -10.544 19.782 14.366 1.00 0.00 ATOM 323 CB SER A 45 -9.854 18.998 13.238 1.00 0.00 ATOM 324 O SER A 45 -12.170 18.553 15.664 1.00 0.00 ATOM 325 C SER A 45 -10.974 18.833 15.497 1.00 0.00 ATOM 326 N SER A 46 -10.005 18.357 16.277 1.00 0.00 ATOM 327 CA SER A 46 -10.293 17.450 17.403 1.00 0.00 ATOM 328 CB SER A 46 -10.265 15.992 16.919 1.00 0.00 ATOM 329 OG SER A 46 -8.972 15.625 16.455 1.00 0.00 ATOM 330 O SER A 46 -9.083 16.699 19.354 1.00 0.00 ATOM 331 C SER A 46 -9.329 17.638 18.580 1.00 0.00 ATOM 332 N LEU A 47 -8.806 18.859 18.721 1.00 0.00 ATOM 333 CA LEU A 47 -7.826 19.175 19.751 1.00 0.00 ATOM 334 CB LEU A 47 -6.438 19.369 19.122 1.00 0.00 ATOM 335 O LEU A 47 -8.695 21.433 19.926 1.00 0.00 ATOM 336 C LEU A 47 -8.253 20.435 20.523 1.00 0.00 ATOM 337 N SER A 48 -8.122 20.358 21.849 1.00 0.00 ATOM 338 CA SER A 48 -8.459 21.447 22.758 1.00 0.00 ATOM 339 CB SER A 48 -9.326 20.912 23.901 1.00 0.00 ATOM 340 OG SER A 48 -9.464 21.870 24.945 1.00 0.00 ATOM 341 O SER A 48 -6.309 21.436 23.868 1.00 0.00 ATOM 342 C SER A 48 -7.176 22.108 23.314 1.00 0.00 ATOM 343 N PHE A 49 -7.073 23.431 23.176 1.00 0.00 ATOM 344 CA PHE A 49 -5.823 24.141 23.506 1.00 0.00 ATOM 345 CB PHE A 49 -5.368 25.015 22.321 1.00 0.00 ATOM 346 CG PHE A 49 -5.017 24.223 21.100 1.00 0.00 ATOM 347 CD1 PHE A 49 -4.016 23.247 21.156 1.00 0.00 ATOM 348 CD2 PHE A 49 -5.706 24.414 19.903 1.00 0.00 ATOM 349 CE1 PHE A 49 -3.697 22.474 20.037 1.00 0.00 ATOM 350 CE2 PHE A 49 -5.387 23.665 18.773 1.00 0.00 ATOM 351 CZ PHE A 49 -4.377 22.682 18.841 1.00 0.00 ATOM 352 O PHE A 49 -6.976 25.624 24.970 1.00 0.00 ATOM 353 C PHE A 49 -5.942 24.993 24.743 1.00 0.00 ATOM 354 N THR A 50 -4.877 24.979 25.550 1.00 0.00 ATOM 355 CA THR A 50 -4.622 26.002 26.566 1.00 0.00 ATOM 356 CB THR A 50 -4.374 25.409 28.006 1.00 0.00 ATOM 357 CG2 THR A 50 -4.160 26.530 29.005 1.00 0.00 ATOM 358 OG1 THR A 50 -5.495 24.645 28.409 1.00 0.00 ATOM 359 O THR A 50 -2.308 26.129 26.042 1.00 0.00 ATOM 360 C THR A 50 -3.356 26.741 26.163 1.00 0.00 ATOM 361 N VAL A 51 -3.457 28.037 25.960 1.00 0.00 ATOM 362 CA VAL A 51 -2.335 28.779 25.432 1.00 0.00 ATOM 363 CB VAL A 51 -2.683 29.512 24.110 1.00 0.00 ATOM 364 CG1 VAL A 51 -1.439 30.277 23.574 1.00 0.00 ATOM 365 CG2 VAL A 51 -3.202 28.514 23.084 1.00 0.00 ATOM 366 O VAL A 51 -2.662 30.577 26.905 1.00 0.00 ATOM 367 C VAL A 51 -1.888 29.769 26.456 1.00 0.00 ATOM 368 N PHE A 52 -0.624 29.670 26.826 1.00 0.00 ATOM 369 CA PHE A 52 0.053 30.736 27.528 1.00 0.00 ATOM 370 CB PHE A 52 1.182 30.175 28.380 1.00 0.00 ATOM 371 CG PHE A 52 0.715 29.435 29.625 1.00 0.00 ATOM 372 CD1 PHE A 52 0.295 28.102 29.555 1.00 0.00 ATOM 373 CD2 PHE A 52 0.784 30.042 30.874 1.00 0.00 ATOM 374 CE1 PHE A 52 -0.085 27.422 30.694 1.00 0.00 ATOM 375 CE2 PHE A 52 0.400 29.363 32.019 1.00 0.00 ATOM 376 CZ PHE A 52 -0.036 28.045 31.921 1.00 0.00 ATOM 377 O PHE A 52 1.620 31.682 25.915 1.00 0.00 ATOM 378 C PHE A 52 0.557 31.811 26.539 1.00 0.00 ATOM 379 N ASP A 53 -0.225 32.862 26.419 1.00 0.00 ATOM 380 CA ASP A 53 0.042 33.933 25.500 1.00 0.00 ATOM 381 CB ASP A 53 -1.274 34.520 24.976 1.00 0.00 ATOM 382 CG ASP A 53 -1.067 35.678 24.014 1.00 0.00 ATOM 383 OD1 ASP A 53 0.089 35.881 23.501 1.00 0.00 ATOM 384 OD2 ASP A 53 -2.071 36.363 23.736 1.00 0.00 ATOM 385 O ASP A 53 0.302 35.811 26.934 1.00 0.00 ATOM 386 C ASP A 53 0.842 34.979 26.204 1.00 0.00 ATOM 387 N MET A 54 2.152 34.968 25.971 1.00 0.00 ATOM 388 CA MET A 54 3.034 35.850 26.701 1.00 0.00 ATOM 389 CB MET A 54 4.396 35.234 26.843 1.00 0.00 ATOM 390 CG MET A 54 4.395 33.824 27.321 1.00 0.00 ATOM 391 SD MET A 54 3.450 33.493 28.830 1.00 0.00 ATOM 392 CE MET A 54 4.054 31.851 29.073 1.00 0.00 ATOM 393 O MET A 54 3.068 37.270 24.792 1.00 0.00 ATOM 394 C MET A 54 3.178 37.170 26.023 1.00 0.00 ATOM 395 N SER A 55 3.429 38.193 26.831 1.00 0.00 ATOM 396 CA SER A 55 3.878 39.435 26.320 1.00 0.00 ATOM 397 CB SER A 55 3.962 40.468 27.424 1.00 0.00 ATOM 398 OG SER A 55 4.661 41.587 26.976 1.00 0.00 ATOM 399 O SER A 55 6.084 38.500 26.435 1.00 0.00 ATOM 400 C SER A 55 5.295 39.197 25.800 1.00 0.00 ATOM 401 N GLY A 56 5.621 39.795 24.660 1.00 0.00 ATOM 402 CA GLY A 56 6.989 39.751 24.145 1.00 0.00 ATOM 403 O GLY A 56 8.876 41.120 23.857 1.00 0.00 ATOM 404 C GLY A 56 7.785 41.009 24.372 1.00 0.00 ATOM 405 N GLN A 57 7.249 41.980 25.133 1.00 0.00 ATOM 406 CA GLN A 57 8.032 43.183 25.467 1.00 0.00 ATOM 407 CB GLN A 57 7.229 44.200 26.255 1.00 0.00 ATOM 408 CG GLN A 57 6.146 44.888 25.582 1.00 0.00 ATOM 409 CD GLN A 57 5.466 45.886 26.523 1.00 0.00 ATOM 410 OE1 GLN A 57 6.114 46.754 27.080 1.00 0.00 ATOM 411 NE2 GLN A 57 4.163 45.749 26.702 1.00 0.00 ATOM 412 O GLN A 57 9.135 41.801 27.139 1.00 0.00 ATOM 413 C GLN A 57 9.234 42.767 26.331 1.00 0.00 ATOM 414 N GLY A 58 10.341 43.486 26.147 1.00 0.00 ATOM 415 CA GLY A 58 11.553 43.342 26.936 1.00 0.00 ATOM 416 O GLY A 58 11.912 42.566 29.156 1.00 0.00 ATOM 417 C GLY A 58 11.304 43.322 28.443 1.00 0.00 ATOM 418 N ARG A 59 10.395 44.170 28.898 1.00 0.00 ATOM 419 CA ARG A 59 9.997 44.232 30.288 1.00 0.00 ATOM 420 CB ARG A 59 8.920 45.284 30.457 1.00 0.00 ATOM 421 CG ARG A 59 8.287 45.211 31.835 1.00 0.00 ATOM 422 CD ARG A 59 8.014 46.457 32.426 1.00 0.00 ATOM 423 NE ARG A 59 7.457 46.265 33.761 1.00 0.00 ATOM 424 CZ ARG A 59 7.005 47.252 34.515 1.00 0.00 ATOM 425 NH1 ARG A 59 7.087 48.500 34.071 1.00 0.00 ATOM 426 NH2 ARG A 59 6.491 46.991 35.711 1.00 0.00 ATOM 427 O ARG A 59 9.801 42.612 32.045 1.00 0.00 ATOM 428 C ARG A 59 9.519 42.891 30.888 1.00 0.00 ATOM 429 N TYR A 60 8.838 42.070 30.076 1.00 0.00 ATOM 430 CA TYR A 60 8.171 40.823 30.506 1.00 0.00 ATOM 431 CB TYR A 60 6.683 40.865 30.095 1.00 0.00 ATOM 432 CG TYR A 60 5.903 41.975 30.750 1.00 0.00 ATOM 433 CD1 TYR A 60 5.245 42.937 29.989 1.00 0.00 ATOM 434 CD2 TYR A 60 5.854 42.092 32.173 1.00 0.00 ATOM 435 CE1 TYR A 60 4.526 43.982 30.602 1.00 0.00 ATOM 436 CE2 TYR A 60 5.141 43.124 32.798 1.00 0.00 ATOM 437 CZ TYR A 60 4.470 44.066 32.017 1.00 0.00 ATOM 438 OH TYR A 60 3.782 45.112 32.619 1.00 0.00 ATOM 439 O TYR A 60 8.284 38.449 30.281 1.00 0.00 ATOM 440 C TYR A 60 8.782 39.537 29.972 1.00 0.00 ATOM 441 N ARG A 61 9.822 39.612 29.135 1.00 0.00 ATOM 442 CA ARG A 61 10.414 38.381 28.576 1.00 0.00 ATOM 443 CB ARG A 61 11.452 38.664 27.498 1.00 0.00 ATOM 444 CG ARG A 61 10.834 38.711 26.128 1.00 0.00 ATOM 445 CD ARG A 61 11.888 38.698 25.046 1.00 0.00 ATOM 446 NE ARG A 61 11.592 39.846 24.338 1.00 0.00 ATOM 447 CZ ARG A 61 12.346 40.899 24.128 1.00 0.00 ATOM 448 NH1 ARG A 61 13.634 40.979 24.405 1.00 0.00 ATOM 449 NH2 ARG A 61 11.770 41.868 23.531 1.00 0.00 ATOM 450 O ARG A 61 11.168 36.257 29.432 1.00 0.00 ATOM 451 C ARG A 61 11.020 37.470 29.649 1.00 0.00 ATOM 452 N ASN A 62 11.376 38.058 30.787 1.00 0.00 ATOM 453 CA ASN A 62 11.809 37.295 31.981 1.00 0.00 ATOM 454 CB ASN A 62 12.211 38.249 33.158 1.00 0.00 ATOM 455 CG ASN A 62 11.018 38.896 33.836 1.00 0.00 ATOM 456 ND2 ASN A 62 10.720 38.450 35.047 1.00 0.00 ATOM 457 OD1 ASN A 62 10.376 39.782 33.287 1.00 0.00 ATOM 458 O ASN A 62 11.196 35.240 33.041 1.00 0.00 ATOM 459 C ASN A 62 10.800 36.244 32.451 1.00 0.00 ATOM 460 N LEU A 63 9.515 36.442 32.135 1.00 0.00 ATOM 461 CA LEU A 63 8.460 35.528 32.536 1.00 0.00 ATOM 462 CB LEU A 63 7.083 36.211 32.501 1.00 0.00 ATOM 463 CG LEU A 63 6.893 37.500 33.287 1.00 0.00 ATOM 464 CD1 LEU A 63 5.470 38.042 33.079 1.00 0.00 ATOM 465 CD2 LEU A 63 7.184 37.304 34.776 1.00 0.00 ATOM 466 O LEU A 63 7.921 33.162 32.315 1.00 0.00 ATOM 467 C LEU A 63 8.393 34.259 31.750 1.00 0.00 ATOM 468 N TRP A 64 8.884 34.293 30.489 1.00 0.00 ATOM 469 CA TRP A 64 8.721 33.151 29.608 1.00 0.00 ATOM 470 CB TRP A 64 9.525 33.337 28.283 1.00 0.00 ATOM 471 CG TRP A 64 9.006 34.386 27.343 1.00 0.00 ATOM 472 CD1 TRP A 64 8.064 35.305 27.587 1.00 0.00 ATOM 473 CD2 TRP A 64 9.500 34.655 26.026 1.00 0.00 ATOM 474 CE2 TRP A 64 8.762 35.751 25.517 1.00 0.00 ATOM 475 CE3 TRP A 64 10.476 34.069 25.227 1.00 0.00 ATOM 476 NE1 TRP A 64 7.885 36.129 26.497 1.00 0.00 ATOM 477 CZ2 TRP A 64 8.975 36.273 24.211 1.00 0.00 ATOM 478 CZ3 TRP A 64 10.696 34.581 23.925 1.00 0.00 ATOM 479 CH2 TRP A 64 9.957 35.687 23.443 1.00 0.00 ATOM 480 O TRP A 64 8.357 30.850 30.183 1.00 0.00 ATOM 481 C TRP A 64 9.130 31.827 30.233 1.00 0.00 ATOM 482 N GLU A 65 10.329 31.807 30.822 1.00 0.00 ATOM 483 CA GLU A 65 10.950 30.580 31.286 1.00 0.00 ATOM 484 CB GLU A 65 12.433 30.807 31.626 1.00 0.00 ATOM 485 CG GLU A 65 12.708 31.631 32.869 1.00 0.00 ATOM 486 CD GLU A 65 14.212 31.729 33.217 1.00 0.00 ATOM 487 OE1 GLU A 65 15.008 30.870 32.779 1.00 0.00 ATOM 488 OE2 GLU A 65 14.580 32.665 33.950 1.00 0.00 ATOM 489 O GLU A 65 10.359 28.756 32.724 1.00 0.00 ATOM 490 C GLU A 65 10.215 29.943 32.465 1.00 0.00 ATOM 491 N HIS A 66 9.420 30.749 33.165 1.00 0.00 ATOM 492 CA HIS A 66 8.576 30.271 34.258 1.00 0.00 ATOM 493 CB HIS A 66 7.862 31.435 34.919 1.00 0.00 ATOM 494 CG HIS A 66 8.787 32.436 35.522 1.00 0.00 ATOM 495 CD2 HIS A 66 10.114 32.383 35.768 1.00 0.00 ATOM 496 ND1 HIS A 66 8.361 33.661 35.972 1.00 0.00 ATOM 497 CE1 HIS A 66 9.393 34.321 36.467 1.00 0.00 ATOM 498 NE2 HIS A 66 10.467 33.570 36.343 1.00 0.00 ATOM 499 O HIS A 66 7.027 28.521 34.618 1.00 0.00 ATOM 500 C HIS A 66 7.542 29.293 33.799 1.00 0.00 ATOM 501 N TYR A 67 7.203 29.326 32.499 1.00 0.00 ATOM 502 CA TYR A 67 6.088 28.539 31.971 1.00 0.00 ATOM 503 CB TYR A 67 5.034 29.482 31.327 1.00 0.00 ATOM 504 CG TYR A 67 4.563 30.474 32.360 1.00 0.00 ATOM 505 CD1 TYR A 67 5.081 31.761 32.398 1.00 0.00 ATOM 506 CD2 TYR A 67 3.683 30.089 33.379 1.00 0.00 ATOM 507 CE1 TYR A 67 4.715 32.657 33.388 1.00 0.00 ATOM 508 CE2 TYR A 67 3.317 30.986 34.402 1.00 0.00 ATOM 509 CZ TYR A 67 3.843 32.265 34.390 1.00 0.00 ATOM 510 OH TYR A 67 3.533 33.193 35.345 1.00 0.00 ATOM 511 O TYR A 67 5.717 26.728 30.460 1.00 0.00 ATOM 512 C TYR A 67 6.553 27.430 31.027 1.00 0.00 ATOM 513 N TYR A 68 7.885 27.256 30.904 1.00 0.00 ATOM 514 CA TYR A 68 8.468 26.320 29.942 1.00 0.00 ATOM 515 CB TYR A 68 9.985 26.466 29.800 1.00 0.00 ATOM 516 CG TYR A 68 10.506 27.717 29.052 1.00 0.00 ATOM 517 CD1 TYR A 68 9.656 28.544 28.308 1.00 0.00 ATOM 518 CD2 TYR A 68 11.851 28.031 29.060 1.00 0.00 ATOM 519 CE1 TYR A 68 10.139 29.707 27.623 1.00 0.00 ATOM 520 CE2 TYR A 68 12.352 29.193 28.357 1.00 0.00 ATOM 521 CZ TYR A 68 11.464 29.999 27.639 1.00 0.00 ATOM 522 OH TYR A 68 11.902 31.119 26.991 1.00 0.00 ATOM 523 O TYR A 68 7.817 24.130 29.346 1.00 0.00 ATOM 524 C TYR A 68 8.120 24.889 30.258 1.00 0.00 ATOM 525 N LYS A 69 8.112 24.531 31.547 1.00 0.00 ATOM 526 CA LYS A 69 7.736 23.170 31.965 1.00 0.00 ATOM 527 CB LYS A 69 7.968 22.938 33.470 1.00 0.00 ATOM 528 CG LYS A 69 9.419 22.664 33.850 1.00 0.00 ATOM 529 CD LYS A 69 9.524 22.275 35.334 1.00 0.00 ATOM 530 CE LYS A 69 10.941 21.916 35.733 1.00 0.00 ATOM 531 NZ LYS A 69 11.801 23.127 35.732 1.00 0.00 ATOM 532 O LYS A 69 5.972 21.629 31.645 1.00 0.00 ATOM 533 C LYS A 69 6.301 22.794 31.596 1.00 0.00 ATOM 534 N GLU A 70 5.448 23.741 31.205 1.00 0.00 ATOM 535 CA GLU A 70 4.185 23.319 30.594 1.00 0.00 ATOM 536 CB GLU A 70 3.012 23.569 31.504 1.00 0.00 ATOM 537 CG GLU A 70 2.861 24.919 32.099 1.00 0.00 ATOM 538 CD GLU A 70 1.804 24.842 33.142 1.00 0.00 ATOM 539 OE1 GLU A 70 2.035 24.155 34.178 1.00 0.00 ATOM 540 OE2 GLU A 70 0.722 25.405 32.913 1.00 0.00 ATOM 541 O GLU A 70 2.755 23.943 28.744 1.00 0.00 ATOM 542 C GLU A 70 3.908 23.773 29.158 1.00 0.00 ATOM 543 N GLY A 71 4.962 23.936 28.388 1.00 0.00 ATOM 544 CA GLY A 71 4.815 23.996 26.959 1.00 0.00 ATOM 545 O GLY A 71 6.070 22.033 26.463 1.00 0.00 ATOM 546 C GLY A 71 4.967 22.573 26.457 1.00 0.00 ATOM 547 N GLN A 72 3.861 21.957 26.054 1.00 0.00 ATOM 548 CA GLN A 72 3.921 20.727 25.270 1.00 0.00 ATOM 549 CB GLN A 72 2.650 19.928 25.446 1.00 0.00 ATOM 550 CG GLN A 72 2.450 19.443 26.868 1.00 0.00 ATOM 551 CD GLN A 72 1.096 18.830 27.082 1.00 0.00 ATOM 552 OE1 GLN A 72 0.080 19.420 26.733 1.00 0.00 ATOM 553 NE2 GLN A 72 1.070 17.623 27.671 1.00 0.00 ATOM 554 O GLN A 72 4.577 20.161 23.028 1.00 0.00 ATOM 555 C GLN A 72 4.161 21.026 23.769 1.00 0.00 ATOM 556 N ALA A 73 3.868 22.256 23.349 1.00 0.00 ATOM 557 CA ALA A 73 4.138 22.712 22.011 1.00 0.00 ATOM 558 CB ALA A 73 2.919 22.444 21.085 1.00 0.00 ATOM 559 O ALA A 73 3.895 24.861 23.040 1.00 0.00 ATOM 560 C ALA A 73 4.405 24.199 22.112 1.00 0.00 ATOM 561 N ILE A 74 5.198 24.723 21.173 1.00 0.00 ATOM 562 CA ILE A 74 5.441 26.183 21.086 1.00 0.00 ATOM 563 CB ILE A 74 6.929 26.503 21.287 1.00 0.00 ATOM 564 CG1 ILE A 74 7.357 26.098 22.707 1.00 0.00 ATOM 565 CG2 ILE A 74 7.239 28.026 20.992 1.00 0.00 ATOM 566 CD1 ILE A 74 8.834 26.096 22.923 1.00 0.00 ATOM 567 O ILE A 74 5.260 26.157 18.685 1.00 0.00 ATOM 568 C ILE A 74 4.986 26.743 19.737 1.00 0.00 ATOM 569 N ILE A 75 4.327 27.896 19.789 1.00 0.00 ATOM 570 CA ILE A 75 4.038 28.735 18.619 1.00 0.00 ATOM 571 CB ILE A 75 2.535 29.120 18.559 1.00 0.00 ATOM 572 CG1 ILE A 75 1.648 27.863 18.447 1.00 0.00 ATOM 573 CG2 ILE A 75 2.263 30.067 17.360 1.00 0.00 ATOM 574 CD1 ILE A 75 0.142 28.147 18.423 1.00 0.00 ATOM 575 O ILE A 75 4.739 30.744 19.703 1.00 0.00 ATOM 576 C ILE A 75 4.899 29.985 18.751 1.00 0.00 ATOM 577 N PHE A 76 5.863 30.144 17.849 1.00 0.00 ATOM 578 CA PHE A 76 6.779 31.276 17.845 1.00 0.00 ATOM 579 CB PHE A 76 8.227 30.776 17.784 1.00 0.00 ATOM 580 CG PHE A 76 9.224 31.767 18.249 1.00 0.00 ATOM 581 CD1 PHE A 76 9.642 32.807 17.414 1.00 0.00 ATOM 582 CD2 PHE A 76 9.787 31.658 19.528 1.00 0.00 ATOM 583 CE1 PHE A 76 10.586 33.717 17.848 1.00 0.00 ATOM 584 CE2 PHE A 76 10.731 32.571 19.957 1.00 0.00 ATOM 585 CZ PHE A 76 11.130 33.594 19.132 1.00 0.00 ATOM 586 O PHE A 76 6.440 31.665 15.498 1.00 0.00 ATOM 587 C PHE A 76 6.456 32.145 16.657 1.00 0.00 ATOM 588 N VAL A 77 6.189 33.417 16.935 1.00 0.00 ATOM 589 CA VAL A 77 5.684 34.345 15.966 1.00 0.00 ATOM 590 CB VAL A 77 4.325 34.997 16.467 1.00 0.00 ATOM 591 CG1 VAL A 77 3.677 35.885 15.371 1.00 0.00 ATOM 592 CG2 VAL A 77 3.357 33.898 16.901 1.00 0.00 ATOM 593 O VAL A 77 7.341 35.999 16.539 1.00 0.00 ATOM 594 C VAL A 77 6.716 35.418 15.645 1.00 0.00 ATOM 595 N ILE A 78 6.878 35.675 14.346 1.00 0.00 ATOM 596 CA ILE A 78 7.819 36.645 13.811 1.00 0.00 ATOM 597 CB ILE A 78 8.824 35.903 12.838 1.00 0.00 ATOM 598 CG1 ILE A 78 9.522 34.732 13.547 1.00 0.00 ATOM 599 CG2 ILE A 78 9.834 36.802 12.265 1.00 0.00 ATOM 600 CD1 ILE A 78 10.405 35.124 14.656 1.00 0.00 ATOM 601 O ILE A 78 6.252 37.363 12.147 1.00 0.00 ATOM 602 C ILE A 78 7.080 37.702 13.022 1.00 0.00 ATOM 603 N ASP A 79 7.388 38.974 13.273 1.00 0.00 ATOM 604 CA ASP A 79 6.948 40.027 12.401 1.00 0.00 ATOM 605 CB ASP A 79 7.051 41.395 13.048 1.00 0.00 ATOM 606 CG ASP A 79 6.605 42.530 12.109 1.00 0.00 ATOM 607 OD1 ASP A 79 6.331 42.276 10.904 1.00 0.00 ATOM 608 OD2 ASP A 79 6.552 43.687 12.553 1.00 0.00 ATOM 609 O ASP A 79 8.998 40.422 11.138 1.00 0.00 ATOM 610 C ASP A 79 7.835 39.968 11.121 1.00 0.00 ATOM 611 N SER A 80 7.268 39.411 10.040 1.00 0.00 ATOM 612 CA SER A 80 7.957 39.259 8.721 1.00 0.00 ATOM 613 CB SER A 80 7.039 38.573 7.691 1.00 0.00 ATOM 614 OG SER A 80 6.931 37.233 8.011 1.00 0.00 ATOM 615 O SER A 80 9.354 40.521 7.278 1.00 0.00 ATOM 616 C SER A 80 8.430 40.545 8.098 1.00 0.00 ATOM 617 N SER A 81 7.800 41.653 8.468 1.00 0.00 ATOM 618 CA SER A 81 8.096 42.968 7.895 1.00 0.00 ATOM 619 CB SER A 81 6.831 43.819 7.880 1.00 0.00 ATOM 620 OG SER A 81 6.454 44.272 9.179 1.00 0.00 ATOM 621 O SER A 81 9.497 44.855 8.226 1.00 0.00 ATOM 622 C SER A 81 9.189 43.741 8.623 1.00 0.00 ATOM 623 N ASP A 82 9.764 43.159 9.688 1.00 0.00 ATOM 624 CA ASP A 82 10.742 43.888 10.543 1.00 0.00 ATOM 625 CB ASP A 82 10.127 44.112 11.919 1.00 0.00 ATOM 626 CG ASP A 82 10.843 45.198 12.729 1.00 0.00 ATOM 627 OD1 ASP A 82 12.016 45.519 12.419 1.00 0.00 ATOM 628 OD2 ASP A 82 10.207 45.725 13.687 1.00 0.00 ATOM 629 O ASP A 82 12.310 42.367 11.611 1.00 0.00 ATOM 630 C ASP A 82 12.072 43.156 10.662 1.00 0.00 ATOM 631 N ARG A 83 12.954 43.381 9.685 1.00 0.00 ATOM 632 CA ARG A 83 14.202 42.601 9.617 1.00 0.00 ATOM 633 CB ARG A 83 14.909 42.812 8.259 1.00 0.00 ATOM 634 CG ARG A 83 14.502 41.812 7.168 1.00 0.00 ATOM 635 CD ARG A 83 14.978 42.264 5.757 1.00 0.00 ATOM 636 O ARG A 83 15.896 42.147 11.291 1.00 0.00 ATOM 637 C ARG A 83 15.151 42.980 10.766 1.00 0.00 ATOM 638 N LEU A 84 15.132 44.244 11.137 1.00 0.00 ATOM 639 CA LEU A 84 16.025 44.727 12.147 1.00 0.00 ATOM 640 CB LEU A 84 15.934 46.251 12.254 1.00 0.00 ATOM 641 CG LEU A 84 16.817 46.899 13.322 1.00 0.00 ATOM 642 CD1 LEU A 84 18.321 46.534 13.159 1.00 0.00 ATOM 643 CD2 LEU A 84 16.617 48.413 13.331 1.00 0.00 ATOM 644 O LEU A 84 16.585 43.528 14.135 1.00 0.00 ATOM 645 C LEU A 84 15.701 44.075 13.479 1.00 0.00 ATOM 646 N ARG A 85 14.431 44.111 13.873 1.00 0.00 ATOM 647 CA ARG A 85 14.032 43.481 15.148 1.00 0.00 ATOM 648 CB ARG A 85 12.633 43.883 15.580 1.00 0.00 ATOM 649 CG ARG A 85 12.471 45.400 15.818 1.00 0.00 ATOM 650 CD ARG A 85 11.194 45.717 16.648 1.00 0.00 ATOM 651 NE ARG A 85 11.299 45.122 17.983 1.00 0.00 ATOM 652 CZ ARG A 85 10.279 44.769 18.749 1.00 0.00 ATOM 653 NH1 ARG A 85 9.037 44.957 18.362 1.00 0.00 ATOM 654 NH2 ARG A 85 10.511 44.206 19.931 1.00 0.00 ATOM 655 O ARG A 85 14.213 41.311 16.055 1.00 0.00 ATOM 656 C ARG A 85 14.138 41.975 15.052 1.00 0.00 ATOM 657 N MET A 86 14.214 41.429 13.839 1.00 0.00 ATOM 658 CA MET A 86 14.337 39.984 13.704 1.00 0.00 ATOM 659 CB MET A 86 14.177 39.555 12.238 1.00 0.00 ATOM 660 CG MET A 86 13.747 38.107 12.056 1.00 0.00 ATOM 661 SD MET A 86 13.526 37.630 10.313 1.00 0.00 ATOM 662 CE MET A 86 12.332 38.837 9.715 1.00 0.00 ATOM 663 O MET A 86 15.772 38.306 14.620 1.00 0.00 ATOM 664 C MET A 86 15.641 39.483 14.272 1.00 0.00 ATOM 665 N VAL A 87 16.638 40.355 14.365 1.00 0.00 ATOM 666 CA VAL A 87 17.900 39.965 15.038 1.00 0.00 ATOM 667 CB VAL A 87 18.965 41.062 14.885 1.00 0.00 ATOM 668 CG1 VAL A 87 20.235 40.610 15.488 1.00 0.00 ATOM 669 CG2 VAL A 87 19.158 41.395 13.378 1.00 0.00 ATOM 670 O VAL A 87 18.278 38.727 17.100 1.00 0.00 ATOM 671 C VAL A 87 17.682 39.663 16.536 1.00 0.00 ATOM 672 N VAL A 88 16.818 40.456 17.166 1.00 0.00 ATOM 673 CA VAL A 88 16.459 40.250 18.583 1.00 0.00 ATOM 674 CB VAL A 88 15.725 41.462 19.166 1.00 0.00 ATOM 675 CG1 VAL A 88 15.387 41.228 20.637 1.00 0.00 ATOM 676 CG2 VAL A 88 16.569 42.689 19.047 1.00 0.00 ATOM 677 O VAL A 88 15.886 38.155 19.629 1.00 0.00 ATOM 678 C VAL A 88 15.638 38.974 18.737 1.00 0.00 ATOM 679 N ALA A 89 14.681 38.774 17.827 1.00 0.00 ATOM 680 CA ALA A 89 13.895 37.551 17.803 1.00 0.00 ATOM 681 CB ALA A 89 12.864 37.611 16.589 1.00 0.00 ATOM 682 O ALA A 89 14.499 35.245 18.404 1.00 0.00 ATOM 683 C ALA A 89 14.769 36.281 17.739 1.00 0.00 ATOM 684 N LYS A 90 15.798 36.326 16.905 1.00 0.00 ATOM 685 CA LYS A 90 16.659 35.154 16.721 1.00 0.00 ATOM 686 CB LYS A 90 17.626 35.393 15.529 1.00 0.00 ATOM 687 CG LYS A 90 18.664 34.281 15.315 1.00 0.00 ATOM 688 CD LYS A 90 19.511 34.516 13.988 1.00 0.00 ATOM 689 CE LYS A 90 20.603 33.443 13.822 1.00 0.00 ATOM 690 NZ LYS A 90 21.736 33.672 14.802 1.00 0.00 ATOM 691 O LYS A 90 17.553 33.724 18.483 1.00 0.00 ATOM 692 C LYS A 90 17.433 34.874 18.029 1.00 0.00 ATOM 693 N GLU A 91 17.922 35.935 18.644 1.00 0.00 ATOM 694 CA GLU A 91 18.604 35.827 19.970 1.00 0.00 ATOM 695 CB GLU A 91 19.031 37.210 20.476 1.00 0.00 ATOM 696 O GLU A 91 18.176 34.239 21.704 1.00 0.00 ATOM 697 C GLU A 91 17.731 35.140 21.003 1.00 0.00 ATOM 698 N GLU A 92 16.450 35.505 21.039 1.00 0.00 ATOM 699 CA GLU A 92 15.529 34.942 22.004 1.00 0.00 ATOM 700 CB GLU A 92 14.231 35.771 22.095 1.00 0.00 ATOM 701 CG GLU A 92 14.412 37.149 22.661 1.00 0.00 ATOM 702 CD GLU A 92 14.787 37.151 24.168 1.00 0.00 ATOM 703 OE1 GLU A 92 14.389 36.249 24.925 1.00 0.00 ATOM 704 OE2 GLU A 92 15.463 38.094 24.586 1.00 0.00 ATOM 705 O GLU A 92 14.948 32.730 22.602 1.00 0.00 ATOM 706 C GLU A 92 15.157 33.514 21.690 1.00 0.00 ATOM 707 N LEU A 93 14.960 33.223 20.403 1.00 0.00 ATOM 708 CA LEU A 93 14.758 31.847 19.941 1.00 0.00 ATOM 709 CB LEU A 93 14.557 31.837 18.416 1.00 0.00 ATOM 710 CG LEU A 93 14.382 30.471 17.746 1.00 0.00 ATOM 711 CD1 LEU A 93 13.221 29.686 18.329 1.00 0.00 ATOM 712 CD2 LEU A 93 14.218 30.679 16.207 1.00 0.00 ATOM 713 O LEU A 93 15.711 29.781 20.804 1.00 0.00 ATOM 714 C LEU A 93 15.926 30.929 20.346 1.00 0.00 ATOM 715 N ASP A 94 17.141 31.394 20.128 1.00 0.00 ATOM 716 CA ASP A 94 18.355 30.625 20.467 1.00 0.00 ATOM 717 CB ASP A 94 19.602 31.316 19.941 1.00 0.00 ATOM 718 CG ASP A 94 19.679 31.307 18.410 1.00 0.00 ATOM 719 OD1 ASP A 94 18.862 30.602 17.756 1.00 0.00 ATOM 720 OD2 ASP A 94 20.547 32.016 17.855 1.00 0.00 ATOM 721 O ASP A 94 18.777 29.249 22.392 1.00 0.00 ATOM 722 C ASP A 94 18.462 30.374 21.968 1.00 0.00 ATOM 723 N THR A 95 18.122 31.380 22.765 1.00 0.00 ATOM 724 CA THR A 95 18.052 31.216 24.246 1.00 0.00 ATOM 725 CB THR A 95 17.828 32.584 24.914 1.00 0.00 ATOM 726 CG2 THR A 95 17.656 32.487 26.434 1.00 0.00 ATOM 727 OG1 THR A 95 18.932 33.418 24.595 1.00 0.00 ATOM 728 O THR A 95 17.224 29.299 25.412 1.00 0.00 ATOM 729 C THR A 95 16.977 30.229 24.635 1.00 0.00 ATOM 730 N LEU A 96 15.778 30.386 24.067 1.00 0.00 ATOM 731 CA LEU A 96 14.708 29.413 24.274 1.00 0.00 ATOM 732 CB LEU A 96 13.524 29.745 23.360 1.00 0.00 ATOM 733 CG LEU A 96 12.420 28.746 23.204 1.00 0.00 ATOM 734 CD1 LEU A 96 11.699 28.528 24.559 1.00 0.00 ATOM 735 CD2 LEU A 96 11.425 29.285 22.134 1.00 0.00 ATOM 736 O LEU A 96 14.898 27.041 24.797 1.00 0.00 ATOM 737 C LEU A 96 15.142 27.978 23.993 1.00 0.00 ATOM 738 N LEU A 97 15.722 27.788 22.820 1.00 0.00 ATOM 739 CA LEU A 97 16.063 26.444 22.346 1.00 0.00 ATOM 740 CB LEU A 97 16.503 26.488 20.888 1.00 0.00 ATOM 741 CG LEU A 97 15.384 26.678 19.863 1.00 0.00 ATOM 742 CD1 LEU A 97 15.989 26.946 18.479 1.00 0.00 ATOM 743 CD2 LEU A 97 14.403 25.471 19.845 1.00 0.00 ATOM 744 O LEU A 97 17.173 24.560 23.325 1.00 0.00 ATOM 745 C LEU A 97 17.147 25.782 23.209 1.00 0.00 ATOM 746 N ASN A 98 18.012 26.592 23.806 1.00 0.00 ATOM 747 CA ASN A 98 19.111 26.092 24.641 1.00 0.00 ATOM 748 CB ASN A 98 20.383 26.940 24.386 1.00 0.00 ATOM 749 CG ASN A 98 20.971 26.736 22.961 1.00 0.00 ATOM 750 ND2 ASN A 98 21.274 27.848 22.271 1.00 0.00 ATOM 751 OD1 ASN A 98 21.159 25.602 22.505 1.00 0.00 ATOM 752 O ASN A 98 19.550 25.561 26.967 1.00 0.00 ATOM 753 C ASN A 98 18.760 26.038 26.158 1.00 0.00 ATOM 754 N HIS A 99 17.567 26.514 26.531 1.00 0.00 ATOM 755 CA HIS A 99 17.147 26.528 27.937 1.00 0.00 ATOM 756 CB HIS A 99 15.802 27.250 28.105 1.00 0.00 ATOM 757 CG HIS A 99 15.444 27.549 29.535 1.00 0.00 ATOM 758 CD2 HIS A 99 15.598 28.671 30.278 1.00 0.00 ATOM 759 ND1 HIS A 99 14.830 26.629 30.358 1.00 0.00 ATOM 760 CE1 HIS A 99 14.623 27.168 31.546 1.00 0.00 ATOM 761 NE2 HIS A 99 15.090 28.403 31.529 1.00 0.00 ATOM 762 O HIS A 99 16.462 24.239 27.818 1.00 0.00 ATOM 763 C HIS A 99 17.019 25.106 28.490 1.00 0.00 ATOM 764 N PRO A 100 17.520 24.867 29.742 1.00 0.00 ATOM 765 CA PRO A 100 17.452 23.540 30.404 1.00 0.00 ATOM 766 CB PRO A 100 17.752 23.868 31.876 1.00 0.00 ATOM 767 CG PRO A 100 18.656 25.022 31.806 1.00 0.00 ATOM 768 CD PRO A 100 18.222 25.849 30.598 1.00 0.00 ATOM 769 O PRO A 100 16.109 21.592 30.222 1.00 0.00 ATOM 770 C PRO A 100 16.121 22.823 30.325 1.00 0.00 ATOM 771 N ASP A 101 15.008 23.568 30.392 1.00 0.00 ATOM 772 CA ASP A 101 13.647 22.966 30.371 1.00 0.00 ATOM 773 CB ASP A 101 12.689 23.802 31.207 1.00 0.00 ATOM 774 CG ASP A 101 13.073 23.834 32.692 1.00 0.00 ATOM 775 OD1 ASP A 101 13.618 22.817 33.187 1.00 0.00 ATOM 776 OD2 ASP A 101 12.831 24.880 33.351 1.00 0.00 ATOM 777 O ASP A 101 11.925 22.324 28.822 1.00 0.00 ATOM 778 C ASP A 101 13.067 22.783 28.971 1.00 0.00 ATOM 779 N ILE A 102 13.857 23.132 27.962 1.00 0.00 ATOM 780 CA ILE A 102 13.461 23.017 26.544 1.00 0.00 ATOM 781 CB ILE A 102 13.491 24.413 25.845 1.00 0.00 ATOM 782 CG1 ILE A 102 12.529 25.397 26.527 1.00 0.00 ATOM 783 CG2 ILE A 102 13.143 24.285 24.370 1.00 0.00 ATOM 784 CD1 ILE A 102 11.083 24.919 26.521 1.00 0.00 ATOM 785 O ILE A 102 13.916 21.291 24.943 1.00 0.00 ATOM 786 C ILE A 102 14.387 22.096 25.750 1.00 0.00 ATOM 787 N LYS A 103 15.698 22.241 25.959 1.00 0.00 ATOM 788 CA LYS A 103 16.733 21.574 25.121 1.00 0.00 ATOM 789 CB LYS A 103 18.151 21.916 25.626 1.00 0.00 ATOM 790 CG LYS A 103 19.256 21.805 24.540 1.00 0.00 ATOM 791 CD LYS A 103 20.686 22.044 25.105 1.00 0.00 ATOM 792 O LYS A 103 17.036 19.513 23.938 1.00 0.00 ATOM 793 C LYS A 103 16.615 20.044 24.962 1.00 0.00 ATOM 794 N HIS A 104 16.053 19.343 25.943 1.00 0.00 ATOM 795 CA HIS A 104 16.013 17.853 25.881 1.00 0.00 ATOM 796 CB HIS A 104 16.745 17.261 27.091 1.00 0.00 ATOM 797 CG HIS A 104 18.152 17.751 27.213 1.00 0.00 ATOM 798 CD2 HIS A 104 19.221 17.589 26.397 1.00 0.00 ATOM 799 ND1 HIS A 104 18.570 18.574 28.238 1.00 0.00 ATOM 800 CE1 HIS A 104 19.846 18.874 28.065 1.00 0.00 ATOM 801 NE2 HIS A 104 20.265 18.289 26.955 1.00 0.00 ATOM 802 O HIS A 104 14.417 16.027 25.834 1.00 0.00 ATOM 803 C HIS A 104 14.611 17.245 25.704 1.00 0.00 ATOM 804 N ARG A 105 13.647 18.081 25.361 1.00 0.00 ATOM 805 CA ARG A 105 12.306 17.606 25.077 1.00 0.00 ATOM 806 CB ARG A 105 11.301 18.370 25.934 1.00 0.00 ATOM 807 CG ARG A 105 11.565 18.251 27.436 1.00 0.00 ATOM 808 CD ARG A 105 10.974 19.427 28.203 1.00 0.00 ATOM 809 NE ARG A 105 9.512 19.378 28.215 1.00 0.00 ATOM 810 CZ ARG A 105 8.685 20.432 28.134 1.00 0.00 ATOM 811 NH1 ARG A 105 9.135 21.678 28.039 1.00 0.00 ATOM 812 NH2 ARG A 105 7.376 20.220 28.153 1.00 0.00 ATOM 813 O ARG A 105 12.304 18.830 23.006 1.00 0.00 ATOM 814 C ARG A 105 12.019 17.781 23.578 1.00 0.00 ATOM 815 N ARG A 106 11.485 16.740 22.939 1.00 0.00 ATOM 816 CA ARG A 106 11.106 16.813 21.513 1.00 0.00 ATOM 817 CB ARG A 106 10.977 15.403 20.888 1.00 0.00 ATOM 818 CG ARG A 106 12.313 14.616 20.742 1.00 0.00 ATOM 819 CD ARG A 106 12.073 13.090 20.553 1.00 0.00 ATOM 820 O ARG A 106 8.729 16.943 21.180 1.00 0.00 ATOM 821 C ARG A 106 9.773 17.547 21.431 1.00 0.00 ATOM 822 N ILE A 107 9.786 18.848 21.685 1.00 0.00 ATOM 823 CA ILE A 107 8.528 19.595 21.643 1.00 0.00 ATOM 824 CB ILE A 107 8.356 20.590 22.867 1.00 0.00 ATOM 825 CG1 ILE A 107 8.823 21.994 22.568 1.00 0.00 ATOM 826 CG2 ILE A 107 9.071 20.063 24.107 1.00 0.00 ATOM 827 CD1 ILE A 107 8.504 22.941 23.712 1.00 0.00 ATOM 828 O ILE A 107 9.363 20.834 19.783 1.00 0.00 ATOM 829 C ILE A 107 8.407 20.261 20.262 1.00 0.00 ATOM 830 N PRO A 108 7.240 20.126 19.608 1.00 0.00 ATOM 831 CA PRO A 108 7.000 20.736 18.319 1.00 0.00 ATOM 832 CB PRO A 108 5.652 20.140 17.895 1.00 0.00 ATOM 833 CG PRO A 108 5.011 19.746 19.122 1.00 0.00 ATOM 834 CD PRO A 108 6.086 19.328 20.047 1.00 0.00 ATOM 835 O PRO A 108 6.211 22.827 19.161 1.00 0.00 ATOM 836 C PRO A 108 6.926 22.271 18.358 1.00 0.00 ATOM 837 N ILE A 109 7.689 22.922 17.489 1.00 0.00 ATOM 838 CA ILE A 109 7.627 24.382 17.332 1.00 0.00 ATOM 839 CB ILE A 109 9.014 25.052 17.503 1.00 0.00 ATOM 840 CG1 ILE A 109 9.738 24.514 18.743 1.00 0.00 ATOM 841 CG2 ILE A 109 8.905 26.629 17.606 1.00 0.00 ATOM 842 CD1 ILE A 109 11.211 24.984 18.871 1.00 0.00 ATOM 843 O ILE A 109 7.546 24.439 14.922 1.00 0.00 ATOM 844 C ILE A 109 7.002 24.748 15.979 1.00 0.00 ATOM 845 N LEU A 110 5.857 25.423 16.044 1.00 0.00 ATOM 846 CA LEU A 110 5.245 26.068 14.913 1.00 0.00 ATOM 847 CB LEU A 110 3.725 25.966 15.009 1.00 0.00 ATOM 848 CG LEU A 110 2.876 26.636 13.917 1.00 0.00 ATOM 849 CD1 LEU A 110 3.204 26.130 12.459 1.00 0.00 ATOM 850 CD2 LEU A 110 1.415 26.443 14.260 1.00 0.00 ATOM 851 O LEU A 110 5.360 28.311 15.756 1.00 0.00 ATOM 852 C LEU A 110 5.644 27.512 14.835 1.00 0.00 ATOM 853 N PHE A 111 6.315 27.874 13.742 1.00 0.00 ATOM 854 CA PHE A 111 6.588 29.271 13.456 1.00 0.00 ATOM 855 CB PHE A 111 7.966 29.425 12.827 1.00 0.00 ATOM 856 CG PHE A 111 9.095 28.997 13.724 1.00 0.00 ATOM 857 CD1 PHE A 111 9.496 27.659 13.784 1.00 0.00 ATOM 858 CD2 PHE A 111 9.764 29.946 14.506 1.00 0.00 ATOM 859 CE1 PHE A 111 10.556 27.271 14.606 1.00 0.00 ATOM 860 CE2 PHE A 111 10.800 29.565 15.353 1.00 0.00 ATOM 861 CZ PHE A 111 11.198 28.246 15.403 1.00 0.00 ATOM 862 O PHE A 111 5.144 29.309 11.519 1.00 0.00 ATOM 863 C PHE A 111 5.565 29.910 12.538 1.00 0.00 ATOM 864 N PHE A 112 5.234 31.178 12.829 1.00 0.00 ATOM 865 CA PHE A 112 4.451 31.969 11.932 1.00 0.00 ATOM 866 CB PHE A 112 3.165 32.472 12.617 1.00 0.00 ATOM 867 CG PHE A 112 2.047 31.452 12.668 1.00 0.00 ATOM 868 CD1 PHE A 112 1.529 31.024 13.889 1.00 0.00 ATOM 869 CD2 PHE A 112 1.485 30.945 11.489 1.00 0.00 ATOM 870 CE1 PHE A 112 0.492 30.113 13.927 1.00 0.00 ATOM 871 CE2 PHE A 112 0.464 30.025 11.521 1.00 0.00 ATOM 872 CZ PHE A 112 -0.057 29.626 12.756 1.00 0.00 ATOM 873 O PHE A 112 5.692 33.966 12.303 1.00 0.00 ATOM 874 C PHE A 112 5.256 33.162 11.479 1.00 0.00 ATOM 875 N ALA A 113 5.451 33.269 10.159 1.00 0.00 ATOM 876 CA ALA A 113 6.058 34.440 9.552 1.00 0.00 ATOM 877 CB ALA A 113 6.833 34.045 8.254 1.00 0.00 ATOM 878 O ALA A 113 4.316 35.355 8.142 1.00 0.00 ATOM 879 C ALA A 113 4.895 35.351 9.263 1.00 0.00 ATOM 880 N ASN A 114 4.537 36.126 10.283 1.00 0.00 ATOM 881 CA ASN A 114 3.325 36.852 10.309 1.00 0.00 ATOM 882 CB ASN A 114 2.805 36.926 11.778 1.00 0.00 ATOM 883 CG ASN A 114 1.370 37.393 11.867 1.00 0.00 ATOM 884 ND2 ASN A 114 1.112 38.361 12.741 1.00 0.00 ATOM 885 OD1 ASN A 114 0.503 36.900 11.133 1.00 0.00 ATOM 886 O ASN A 114 4.592 38.676 9.449 1.00 0.00 ATOM 887 C ASN A 114 3.493 38.229 9.712 1.00 0.00 ATOM 888 N LYS A 115 2.378 38.905 9.526 1.00 0.00 ATOM 889 CA LYS A 115 2.312 40.184 8.870 1.00 0.00 ATOM 890 CB LYS A 115 3.050 41.254 9.651 1.00 0.00 ATOM 891 CG LYS A 115 2.606 41.396 11.098 1.00 0.00 ATOM 892 CD LYS A 115 2.773 42.831 11.581 1.00 0.00 ATOM 893 CE LYS A 115 2.705 42.883 13.098 1.00 0.00 ATOM 894 NZ LYS A 115 2.666 44.277 13.696 1.00 0.00 ATOM 895 O LYS A 115 3.371 40.966 6.802 1.00 0.00 ATOM 896 C LYS A 115 2.800 40.044 7.375 1.00 0.00 ATOM 897 N MET A 116 2.517 38.879 6.779 1.00 0.00 ATOM 898 CA MET A 116 2.808 38.629 5.353 1.00 0.00 ATOM 899 CB MET A 116 2.346 37.254 4.948 1.00 0.00 ATOM 900 CG MET A 116 0.860 37.153 4.634 1.00 0.00 ATOM 901 SD MET A 116 0.433 35.488 4.325 1.00 0.00 ATOM 902 CE MET A 116 1.298 35.200 2.727 1.00 0.00 ATOM 903 O MET A 116 2.658 39.813 3.247 1.00 0.00 ATOM 904 C MET A 116 2.185 39.659 4.380 1.00 0.00 ATOM 905 N ASP A 117 1.116 40.311 4.815 1.00 0.00 ATOM 906 CA ASP A 117 0.385 41.305 4.020 1.00 0.00 ATOM 907 CB ASP A 117 -1.017 41.559 4.625 1.00 0.00 ATOM 908 CG ASP A 117 -0.960 42.063 6.092 1.00 0.00 ATOM 909 OD1 ASP A 117 -0.436 41.304 6.917 1.00 0.00 ATOM 910 OD2 ASP A 117 -1.409 43.206 6.403 1.00 0.00 ATOM 911 O ASP A 117 0.713 43.435 2.993 1.00 0.00 ATOM 912 C ASP A 117 1.083 42.648 3.866 1.00 0.00 ATOM 913 N LEU A 118 2.053 42.938 4.721 1.00 0.00 ATOM 914 CA LEU A 118 2.707 44.242 4.713 1.00 0.00 ATOM 915 CB LEU A 118 3.356 44.566 6.077 1.00 0.00 ATOM 916 CG LEU A 118 2.401 44.783 7.285 1.00 0.00 ATOM 917 CD1 LEU A 118 3.198 45.119 8.542 1.00 0.00 ATOM 918 CD2 LEU A 118 1.373 45.850 7.044 1.00 0.00 ATOM 919 O LEU A 118 4.334 43.272 3.151 1.00 0.00 ATOM 920 C LEU A 118 3.753 44.298 3.547 1.00 0.00 ATOM 921 N ARG A 119 3.936 45.497 2.986 1.00 0.00 ATOM 922 CA ARG A 119 4.802 45.691 1.792 1.00 0.00 ATOM 923 CB ARG A 119 4.822 47.170 1.383 1.00 0.00 ATOM 924 O ARG A 119 6.855 44.611 1.136 1.00 0.00 ATOM 925 C ARG A 119 6.235 45.227 2.020 1.00 0.00 ATOM 926 N ASP A 120 6.755 45.518 3.209 1.00 0.00 ATOM 927 CA ASP A 120 8.135 45.169 3.571 1.00 0.00 ATOM 928 CB ASP A 120 8.626 46.105 4.686 1.00 0.00 ATOM 929 CG ASP A 120 8.772 47.559 4.210 1.00 0.00 ATOM 930 OD1 ASP A 120 8.860 47.773 2.969 1.00 0.00 ATOM 931 OD2 ASP A 120 8.812 48.485 5.070 1.00 0.00 ATOM 932 O ASP A 120 9.453 43.336 4.347 1.00 0.00 ATOM 933 C ASP A 120 8.340 43.710 3.993 1.00 0.00 ATOM 934 N ALA A 121 7.288 42.884 3.897 1.00 0.00 ATOM 935 CA ALA A 121 7.310 41.520 4.449 1.00 0.00 ATOM 936 CB ALA A 121 5.905 40.957 4.552 1.00 0.00 ATOM 937 O ALA A 121 8.186 40.506 2.494 1.00 0.00 ATOM 938 C ALA A 121 8.202 40.563 3.703 1.00 0.00 ATOM 939 N VAL A 122 8.939 39.777 4.487 1.00 0.00 ATOM 940 CA VAL A 122 9.848 38.720 4.061 1.00 0.00 ATOM 941 CB VAL A 122 11.015 38.593 5.168 1.00 0.00 ATOM 942 CG1 VAL A 122 11.703 37.319 5.145 1.00 0.00 ATOM 943 CG2 VAL A 122 12.025 39.754 5.033 1.00 0.00 ATOM 944 O VAL A 122 8.050 37.283 4.701 1.00 0.00 ATOM 945 C VAL A 122 9.013 37.443 3.952 1.00 0.00 ATOM 946 N THR A 123 9.352 36.543 3.034 1.00 0.00 ATOM 947 CA THR A 123 8.585 35.318 2.877 1.00 0.00 ATOM 948 CB THR A 123 8.819 34.610 1.492 1.00 0.00 ATOM 949 CG2 THR A 123 8.384 35.512 0.350 1.00 0.00 ATOM 950 OG1 THR A 123 10.202 34.254 1.364 1.00 0.00 ATOM 951 O THR A 123 9.943 34.467 4.635 1.00 0.00 ATOM 952 C THR A 123 8.934 34.324 3.965 1.00 0.00 ATOM 953 N SER A 124 8.107 33.304 4.129 1.00 0.00 ATOM 954 CA SER A 124 8.349 32.315 5.185 1.00 0.00 ATOM 955 CB SER A 124 7.181 31.375 5.304 1.00 0.00 ATOM 956 OG SER A 124 7.006 30.631 4.132 1.00 0.00 ATOM 957 O SER A 124 10.430 31.240 5.865 1.00 0.00 ATOM 958 C SER A 124 9.678 31.541 4.928 1.00 0.00 ATOM 959 N VAL A 125 9.952 31.237 3.648 1.00 0.00 ATOM 960 CA VAL A 125 11.261 30.735 3.212 1.00 0.00 ATOM 961 CB VAL A 125 11.281 30.507 1.622 1.00 0.00 ATOM 962 CG1 VAL A 125 12.722 30.199 1.120 1.00 0.00 ATOM 963 CG2 VAL A 125 10.346 29.423 1.267 1.00 0.00 ATOM 964 O VAL A 125 13.405 31.223 4.106 1.00 0.00 ATOM 965 C VAL A 125 12.428 31.664 3.594 1.00 0.00 ATOM 966 N LYS A 126 12.283 32.960 3.373 1.00 0.00 ATOM 967 CA LYS A 126 13.333 33.880 3.704 1.00 0.00 ATOM 968 CB LYS A 126 12.991 35.264 3.174 1.00 0.00 ATOM 969 CG LYS A 126 14.052 36.301 3.397 1.00 0.00 ATOM 970 CD LYS A 126 15.337 35.953 2.589 1.00 0.00 ATOM 971 CE LYS A 126 16.367 37.050 2.639 1.00 0.00 ATOM 972 NZ LYS A 126 17.693 36.567 2.063 1.00 0.00 ATOM 973 O LYS A 126 14.655 33.985 5.727 1.00 0.00 ATOM 974 C LYS A 126 13.528 33.921 5.242 1.00 0.00 ATOM 975 N VAL A 127 12.415 33.884 5.982 1.00 0.00 ATOM 976 CA VAL A 127 12.452 33.916 7.471 1.00 0.00 ATOM 977 CB VAL A 127 11.027 34.049 8.082 1.00 0.00 ATOM 978 CG1 VAL A 127 11.031 33.772 9.651 1.00 0.00 ATOM 979 CG2 VAL A 127 10.491 35.443 7.792 1.00 0.00 ATOM 980 O VAL A 127 13.964 32.834 8.892 1.00 0.00 ATOM 981 C VAL A 127 13.142 32.719 8.007 1.00 0.00 ATOM 982 N SER A 128 12.820 31.548 7.469 1.00 0.00 ATOM 983 CA SER A 128 13.455 30.329 7.859 1.00 0.00 ATOM 984 CB SER A 128 12.813 29.164 7.097 1.00 0.00 ATOM 985 OG SER A 128 13.508 27.962 7.289 1.00 0.00 ATOM 986 O SER A 128 15.767 29.877 8.514 1.00 0.00 ATOM 987 C SER A 128 14.998 30.367 7.655 1.00 0.00 ATOM 988 N GLN A 129 15.423 30.979 6.543 1.00 0.00 ATOM 989 CA GLN A 129 16.836 31.181 6.252 1.00 0.00 ATOM 990 CB GLN A 129 17.003 31.720 4.818 1.00 0.00 ATOM 991 CG GLN A 129 18.296 32.492 4.565 1.00 0.00 ATOM 992 CD GLN A 129 18.278 33.270 3.259 1.00 0.00 ATOM 993 OE1 GLN A 129 18.326 34.518 3.250 1.00 0.00 ATOM 994 NE2 GLN A 129 18.208 32.547 2.155 1.00 0.00 ATOM 995 O GLN A 129 18.485 31.869 7.852 1.00 0.00 ATOM 996 C GLN A 129 17.464 32.155 7.263 1.00 0.00 ATOM 997 N LEU A 130 16.839 33.306 7.438 1.00 0.00 ATOM 998 CA LEU A 130 17.339 34.315 8.354 1.00 0.00 ATOM 999 CB LEU A 130 16.496 35.593 8.251 1.00 0.00 ATOM 1000 CG LEU A 130 16.644 36.411 6.968 1.00 0.00 ATOM 1001 CD1 LEU A 130 15.589 37.522 6.872 1.00 0.00 ATOM 1002 CD2 LEU A 130 18.052 37.008 6.831 1.00 0.00 ATOM 1003 O LEU A 130 18.449 34.187 10.512 1.00 0.00 ATOM 1004 C LEU A 130 17.477 33.824 9.827 1.00 0.00 ATOM 1005 N LEU A 131 16.533 33.002 10.290 1.00 0.00 ATOM 1006 CA LEU A 131 16.525 32.466 11.679 1.00 0.00 ATOM 1007 CB LEU A 131 15.094 32.212 12.142 1.00 0.00 ATOM 1008 CG LEU A 131 14.203 33.447 12.296 1.00 0.00 ATOM 1009 CD1 LEU A 131 12.788 33.038 12.713 1.00 0.00 ATOM 1010 CD2 LEU A 131 14.826 34.448 13.312 1.00 0.00 ATOM 1011 O LEU A 131 17.494 30.658 12.918 1.00 0.00 ATOM 1012 C LEU A 131 17.303 31.166 11.811 1.00 0.00 ATOM 1013 N CYS A 132 17.708 30.613 10.673 1.00 0.00 ATOM 1014 CA CYS A 132 18.508 29.377 10.608 1.00 0.00 ATOM 1015 CB CYS A 132 19.887 29.591 11.272 1.00 0.00 ATOM 1016 SG CYS A 132 20.834 30.861 10.418 1.00 0.00 ATOM 1017 O CYS A 132 18.387 27.355 11.871 1.00 0.00 ATOM 1018 C CYS A 132 17.786 28.187 11.170 1.00 0.00 ATOM 1019 N LEU A 133 16.492 28.081 10.840 1.00 0.00 ATOM 1020 CA LEU A 133 15.614 27.027 11.381 1.00 0.00 ATOM 1021 CB LEU A 133 14.146 27.284 11.002 1.00 0.00 ATOM 1022 CG LEU A 133 13.579 28.666 11.391 1.00 0.00 ATOM 1023 CD1 LEU A 133 12.106 28.741 10.986 1.00 0.00 ATOM 1024 CD2 LEU A 133 13.776 28.963 12.887 1.00 0.00 ATOM 1025 O LEU A 133 15.737 24.622 11.688 1.00 0.00 ATOM 1026 C LEU A 133 16.034 25.619 10.980 1.00 0.00 ATOM 1027 N GLU A 134 16.746 25.526 9.857 1.00 0.00 ATOM 1028 CA GLU A 134 17.350 24.280 9.374 1.00 0.00 ATOM 1029 CB GLU A 134 18.190 24.551 8.082 1.00 0.00 ATOM 1030 CG GLU A 134 19.412 25.547 8.215 1.00 0.00 ATOM 1031 CD GLU A 134 19.079 27.043 7.923 1.00 0.00 ATOM 1032 OE1 GLU A 134 17.868 27.447 7.928 1.00 0.00 ATOM 1033 OE2 GLU A 134 20.057 27.810 7.707 1.00 0.00 ATOM 1034 O GLU A 134 18.387 22.417 10.503 1.00 0.00 ATOM 1035 C GLU A 134 18.216 23.638 10.453 1.00 0.00 ATOM 1036 N ASN A 135 18.797 24.491 11.308 1.00 0.00 ATOM 1037 CA ASN A 135 19.646 24.019 12.412 1.00 0.00 ATOM 1038 CB ASN A 135 20.502 25.171 12.970 1.00 0.00 ATOM 1039 CG ASN A 135 21.562 25.638 11.994 1.00 0.00 ATOM 1040 ND2 ASN A 135 21.944 26.905 12.103 1.00 0.00 ATOM 1041 OD1 ASN A 135 22.031 24.872 11.145 1.00 0.00 ATOM 1042 O ASN A 135 19.511 22.712 14.423 1.00 0.00 ATOM 1043 C ASN A 135 18.891 23.326 13.566 1.00 0.00 ATOM 1044 N ILE A 136 17.564 23.435 13.597 1.00 0.00 ATOM 1045 CA ILE A 136 16.756 22.728 14.606 1.00 0.00 ATOM 1046 CB ILE A 136 15.368 23.371 14.797 1.00 0.00 ATOM 1047 CG1 ILE A 136 15.509 24.848 15.225 1.00 0.00 ATOM 1048 CG2 ILE A 136 14.542 22.567 15.797 1.00 0.00 ATOM 1049 CD1 ILE A 136 14.208 25.591 15.264 1.00 0.00 ATOM 1050 O ILE A 136 15.806 20.943 13.241 1.00 0.00 ATOM 1051 C ILE A 136 16.606 21.265 14.164 1.00 0.00 ATOM 1052 N LYS A 137 17.379 20.386 14.800 1.00 0.00 ATOM 1053 CA LYS A 137 17.461 18.981 14.382 1.00 0.00 ATOM 1054 CB LYS A 137 18.928 18.541 14.298 1.00 0.00 ATOM 1055 O LYS A 137 16.218 16.982 14.812 1.00 0.00 ATOM 1056 C LYS A 137 16.705 18.017 15.288 1.00 0.00 ATOM 1057 N ASP A 138 16.616 18.340 16.582 1.00 0.00 ATOM 1058 CA ASP A 138 16.063 17.412 17.580 1.00 0.00 ATOM 1059 CB ASP A 138 16.946 17.423 18.832 1.00 0.00 ATOM 1060 O ASP A 138 14.056 17.091 18.902 1.00 0.00 ATOM 1061 C ASP A 138 14.597 17.707 17.967 1.00 0.00 ATOM 1062 N LYS A 139 13.963 18.643 17.258 1.00 0.00 ATOM 1063 CA LYS A 139 12.553 18.964 17.482 1.00 0.00 ATOM 1064 CB LYS A 139 12.408 20.323 18.195 1.00 0.00 ATOM 1065 CG LYS A 139 13.175 20.453 19.518 1.00 0.00 ATOM 1066 CD LYS A 139 12.487 21.429 20.450 1.00 0.00 ATOM 1067 CE LYS A 139 13.356 21.849 21.655 1.00 0.00 ATOM 1068 NZ LYS A 139 14.145 20.764 22.219 1.00 0.00 ATOM 1069 O LYS A 139 12.419 19.601 15.195 1.00 0.00 ATOM 1070 C LYS A 139 11.851 19.057 16.141 1.00 0.00 ATOM 1071 N PRO A 140 10.593 18.586 16.062 1.00 0.00 ATOM 1072 CA PRO A 140 9.858 18.848 14.842 1.00 0.00 ATOM 1073 CB PRO A 140 8.627 17.935 14.951 1.00 0.00 ATOM 1074 CG PRO A 140 8.555 17.493 16.348 1.00 0.00 ATOM 1075 CD PRO A 140 9.795 17.859 17.061 1.00 0.00 ATOM 1076 O PRO A 140 9.092 20.881 15.798 1.00 0.00 ATOM 1077 C PRO A 140 9.460 20.307 14.780 1.00 0.00 ATOM 1078 N TRP A 141 9.604 20.913 13.604 1.00 0.00 ATOM 1079 CA TRP A 141 9.170 22.274 13.381 1.00 0.00 ATOM 1080 CB TRP A 141 10.326 23.258 13.573 1.00 0.00 ATOM 1081 CG TRP A 141 11.448 23.080 12.598 1.00 0.00 ATOM 1082 CD1 TRP A 141 12.494 22.203 12.695 1.00 0.00 ATOM 1083 CD2 TRP A 141 11.643 23.807 11.381 1.00 0.00 ATOM 1084 CE2 TRP A 141 12.808 23.312 10.780 1.00 0.00 ATOM 1085 CE3 TRP A 141 10.929 24.823 10.733 1.00 0.00 ATOM 1086 NE1 TRP A 141 13.316 22.341 11.602 1.00 0.00 ATOM 1087 CZ2 TRP A 141 13.295 23.810 9.571 1.00 0.00 ATOM 1088 CZ3 TRP A 141 11.408 25.305 9.530 1.00 0.00 ATOM 1089 CH2 TRP A 141 12.583 24.785 8.960 1.00 0.00 ATOM 1090 O TRP A 141 8.688 21.610 11.104 1.00 0.00 ATOM 1091 C TRP A 141 8.540 22.465 12.011 1.00 0.00 ATOM 1092 N HIS A 142 7.826 23.588 11.877 1.00 0.00 ATOM 1093 CA HIS A 142 7.199 23.979 10.640 1.00 0.00 ATOM 1094 CB HIS A 142 5.813 23.367 10.563 1.00 0.00 ATOM 1095 CG HIS A 142 5.159 23.521 9.229 1.00 0.00 ATOM 1096 CD2 HIS A 142 4.124 24.291 8.828 1.00 0.00 ATOM 1097 ND1 HIS A 142 5.546 22.790 8.122 1.00 0.00 ATOM 1098 CE1 HIS A 142 4.793 23.129 7.090 1.00 0.00 ATOM 1099 NE2 HIS A 142 3.922 24.039 7.489 1.00 0.00 ATOM 1100 O HIS A 142 6.975 26.093 11.662 1.00 0.00 ATOM 1101 C HIS A 142 7.110 25.480 10.615 1.00 0.00 ATOM 1102 N ILE A 143 7.207 26.089 9.436 1.00 0.00 ATOM 1103 CA ILE A 143 6.956 27.562 9.310 1.00 0.00 ATOM 1104 CB ILE A 143 8.227 28.338 9.009 1.00 0.00 ATOM 1105 CG1 ILE A 143 7.957 29.844 9.126 1.00 0.00 ATOM 1106 CG2 ILE A 143 8.835 27.957 7.573 1.00 0.00 ATOM 1107 CD1 ILE A 143 9.189 30.681 9.269 1.00 0.00 ATOM 1108 O ILE A 143 5.751 27.243 7.217 1.00 0.00 ATOM 1109 C ILE A 143 5.840 27.898 8.266 1.00 0.00 ATOM 1110 N CYS A 144 4.993 28.880 8.597 1.00 0.00 ATOM 1111 CA CYS A 144 3.885 29.371 7.720 1.00 0.00 ATOM 1112 CB CYS A 144 2.476 29.156 8.346 1.00 0.00 ATOM 1113 SG CYS A 144 2.042 27.615 8.669 1.00 0.00 ATOM 1114 O CYS A 144 4.200 31.469 8.655 1.00 0.00 ATOM 1115 C CYS A 144 3.956 30.810 7.630 1.00 0.00 ATOM 1116 N ALA A 145 3.615 31.336 6.452 1.00 0.00 ATOM 1117 CA ALA A 145 3.317 32.751 6.306 1.00 0.00 ATOM 1118 CB ALA A 145 3.478 33.224 4.840 1.00 0.00 ATOM 1119 O ALA A 145 1.013 32.084 6.623 1.00 0.00 ATOM 1120 C ALA A 145 1.887 32.962 6.807 1.00 0.00 ATOM 1121 N SER A 146 1.638 34.115 7.434 1.00 0.00 ATOM 1122 CA SER A 146 0.314 34.403 7.947 1.00 0.00 ATOM 1123 CB SER A 146 0.137 33.843 9.403 1.00 0.00 ATOM 1124 OG SER A 146 1.029 34.469 10.341 1.00 0.00 ATOM 1125 O SER A 146 0.888 36.700 7.999 1.00 0.00 ATOM 1126 C SER A 146 0.012 35.869 7.905 1.00 0.00 ATOM 1127 N ASP A 147 -1.255 36.158 7.688 1.00 0.00 ATOM 1128 CA ASP A 147 -1.825 37.461 7.849 1.00 0.00 ATOM 1129 CB ASP A 147 -2.496 37.930 6.546 1.00 0.00 ATOM 1130 CG ASP A 147 -3.351 39.196 6.729 1.00 0.00 ATOM 1131 OD1 ASP A 147 -3.766 39.556 7.866 1.00 0.00 ATOM 1132 OD2 ASP A 147 -3.621 39.826 5.729 1.00 0.00 ATOM 1133 O ASP A 147 -3.943 36.643 8.625 1.00 0.00 ATOM 1134 C ASP A 147 -2.885 37.220 8.910 1.00 0.00 ATOM 1135 N ALA A 148 -2.596 37.610 10.139 1.00 0.00 ATOM 1136 CA ALA A 148 -3.463 37.234 11.281 1.00 0.00 ATOM 1137 CB ALA A 148 -2.671 37.350 12.599 1.00 0.00 ATOM 1138 O ALA A 148 -5.691 37.649 11.985 1.00 0.00 ATOM 1139 C ALA A 148 -4.746 38.043 11.342 1.00 0.00 ATOM 1140 N ILE A 149 -4.777 39.200 10.701 1.00 0.00 ATOM 1141 CA ILE A 149 -5.987 39.994 10.663 1.00 0.00 ATOM 1142 CB ILE A 149 -5.715 41.440 10.198 1.00 0.00 ATOM 1143 CG1 ILE A 149 -4.634 42.091 11.097 1.00 0.00 ATOM 1144 CG2 ILE A 149 -7.026 42.251 10.211 1.00 0.00 ATOM 1145 CD1 ILE A 149 -4.483 43.579 10.943 1.00 0.00 ATOM 1146 O ILE A 149 -8.220 39.157 10.146 1.00 0.00 ATOM 1147 C ILE A 149 -7.023 39.283 9.776 1.00 0.00 ATOM 1148 N LYS A 150 -6.567 38.795 8.638 1.00 0.00 ATOM 1149 CA LYS A 150 -7.400 38.076 7.689 1.00 0.00 ATOM 1150 CB LYS A 150 -6.704 38.117 6.308 1.00 0.00 ATOM 1151 CG LYS A 150 -7.285 37.255 5.247 1.00 0.00 ATOM 1152 CD LYS A 150 -6.658 37.594 3.890 1.00 0.00 ATOM 1153 CE LYS A 150 -7.281 36.757 2.767 1.00 0.00 ATOM 1154 NZ LYS A 150 -6.757 37.178 1.411 1.00 0.00 ATOM 1155 O LYS A 150 -8.673 36.036 7.830 1.00 0.00 ATOM 1156 C LYS A 150 -7.613 36.636 8.110 1.00 0.00 ATOM 1157 N GLY A 151 -6.596 36.060 8.732 1.00 0.00 ATOM 1158 CA GLY A 151 -6.590 34.621 9.127 1.00 0.00 ATOM 1159 O GLY A 151 -5.850 32.458 8.369 1.00 0.00 ATOM 1160 C GLY A 151 -5.871 33.688 8.174 1.00 0.00 ATOM 1161 N GLU A 152 -5.285 34.255 7.130 1.00 0.00 ATOM 1162 CA GLU A 152 -4.582 33.489 6.122 1.00 0.00 ATOM 1163 CB GLU A 152 -4.160 34.453 4.999 1.00 0.00 ATOM 1164 CG GLU A 152 -3.553 33.776 3.800 1.00 0.00 ATOM 1165 CD GLU A 152 -4.569 32.973 2.980 1.00 0.00 ATOM 1166 OE1 GLU A 152 -4.122 32.261 2.059 1.00 0.00 ATOM 1167 OE2 GLU A 152 -5.790 33.059 3.255 1.00 0.00 ATOM 1168 O GLU A 152 -2.610 33.421 7.393 1.00 0.00 ATOM 1169 C GLU A 152 -3.342 32.804 6.683 1.00 0.00 ATOM 1170 N GLY A 153 -3.144 31.507 6.380 1.00 0.00 ATOM 1171 CA GLY A 153 -2.032 30.739 6.870 1.00 0.00 ATOM 1172 O GLY A 153 -1.551 29.005 8.443 1.00 0.00 ATOM 1173 C GLY A 153 -2.215 29.992 8.199 1.00 0.00 ATOM 1174 N LEU A 154 -3.143 30.432 9.019 1.00 0.00 ATOM 1175 CA LEU A 154 -3.337 29.846 10.378 1.00 0.00 ATOM 1176 CB LEU A 154 -4.277 30.720 11.214 1.00 0.00 ATOM 1177 CG LEU A 154 -3.884 32.181 11.363 1.00 0.00 ATOM 1178 CD1 LEU A 154 -4.880 32.881 12.297 1.00 0.00 ATOM 1179 CD2 LEU A 154 -2.474 32.317 11.873 1.00 0.00 ATOM 1180 O LEU A 154 -3.359 27.572 11.114 1.00 0.00 ATOM 1181 C LEU A 154 -3.822 28.403 10.345 1.00 0.00 ATOM 1182 N GLN A 155 -4.712 28.093 9.407 1.00 0.00 ATOM 1183 CA GLN A 155 -5.204 26.731 9.226 1.00 0.00 ATOM 1184 CB GLN A 155 -6.200 26.651 8.039 1.00 0.00 ATOM 1185 CG GLN A 155 -6.969 25.339 8.012 1.00 0.00 ATOM 1186 CD GLN A 155 -7.777 25.117 9.303 1.00 0.00 ATOM 1187 OE1 GLN A 155 -8.759 25.825 9.564 1.00 0.00 ATOM 1188 NE2 GLN A 155 -7.353 24.157 10.118 1.00 0.00 ATOM 1189 O GLN A 155 -4.171 24.645 9.622 1.00 0.00 ATOM 1190 C GLN A 155 -4.116 25.704 9.023 1.00 0.00 ATOM 1191 N GLU A 156 -3.140 26.004 8.150 1.00 0.00 ATOM 1192 CA GLU A 156 -2.001 25.101 7.886 1.00 0.00 ATOM 1193 CB GLU A 156 -1.108 25.684 6.788 1.00 0.00 ATOM 1194 CG GLU A 156 0.186 24.856 6.474 1.00 0.00 ATOM 1195 CD GLU A 156 1.119 25.568 5.481 1.00 0.00 ATOM 1196 OE1 GLU A 156 0.639 26.381 4.641 1.00 0.00 ATOM 1197 OE2 GLU A 156 2.334 25.350 5.566 1.00 0.00 ATOM 1198 O GLU A 156 -0.695 23.736 9.377 1.00 0.00 ATOM 1199 C GLU A 156 -1.150 24.843 9.140 1.00 0.00 ATOM 1200 N GLY A 157 -0.889 25.885 9.915 1.00 0.00 ATOM 1201 CA GLY A 157 -0.169 25.712 11.184 1.00 0.00 ATOM 1202 O GLY A 157 -0.320 23.889 12.711 1.00 0.00 ATOM 1203 C GLY A 157 -0.903 24.838 12.169 1.00 0.00 ATOM 1204 N VAL A 158 -2.163 25.168 12.433 1.00 0.00 ATOM 1205 CA VAL A 158 -2.995 24.383 13.337 1.00 0.00 ATOM 1206 CB VAL A 158 -4.418 24.978 13.473 1.00 0.00 ATOM 1207 CG1 VAL A 158 -5.326 24.037 14.268 1.00 0.00 ATOM 1208 CG2 VAL A 158 -4.358 26.303 14.154 1.00 0.00 ATOM 1209 O VAL A 158 -3.005 21.996 13.705 1.00 0.00 ATOM 1210 C VAL A 158 -3.080 22.917 12.880 1.00 0.00 ATOM 1211 N ASP A 159 -3.200 22.711 11.565 1.00 0.00 ATOM 1212 CA ASP A 159 -3.237 21.360 11.000 1.00 0.00 ATOM 1213 CB ASP A 159 -3.508 21.395 9.498 1.00 0.00 ATOM 1214 CG ASP A 159 -4.960 21.757 9.136 1.00 0.00 ATOM 1215 OD1 ASP A 159 -5.826 21.935 10.026 1.00 0.00 ATOM 1216 OD2 ASP A 159 -5.218 21.864 7.916 1.00 0.00 ATOM 1217 O ASP A 159 -1.898 19.432 11.513 1.00 0.00 ATOM 1218 C ASP A 159 -1.914 20.635 11.221 1.00 0.00 ATOM 1219 N TRP A 160 -0.796 21.350 11.048 1.00 0.00 ATOM 1220 CA TRP A 160 0.521 20.755 11.312 1.00 0.00 ATOM 1221 CB TRP A 160 1.666 21.695 10.889 1.00 0.00 ATOM 1222 CG TRP A 160 3.036 21.091 11.206 1.00 0.00 ATOM 1223 CD1 TRP A 160 3.745 20.224 10.430 1.00 0.00 ATOM 1224 CD2 TRP A 160 3.806 21.275 12.409 1.00 0.00 ATOM 1225 CE2 TRP A 160 4.981 20.500 12.271 1.00 0.00 ATOM 1226 CE3 TRP A 160 3.619 22.028 13.582 1.00 0.00 ATOM 1227 NE1 TRP A 160 4.917 19.876 11.051 1.00 0.00 ATOM 1228 CZ2 TRP A 160 5.976 20.459 13.252 1.00 0.00 ATOM 1229 CZ3 TRP A 160 4.600 21.985 14.566 1.00 0.00 ATOM 1230 CH2 TRP A 160 5.771 21.194 14.397 1.00 0.00 ATOM 1231 O TRP A 160 1.211 19.325 13.143 1.00 0.00 ATOM 1232 C TRP A 160 0.690 20.404 12.792 1.00 0.00 ATOM 1233 N LEU A 161 0.262 21.328 13.649 1.00 0.00 ATOM 1234 CA LEU A 161 0.369 21.161 15.098 1.00 0.00 ATOM 1235 CB LEU A 161 -0.121 22.433 15.820 1.00 0.00 ATOM 1236 CG LEU A 161 0.457 22.739 17.202 1.00 0.00 ATOM 1237 CD1 LEU A 161 2.007 22.803 17.194 1.00 0.00 ATOM 1238 CD2 LEU A 161 -0.118 24.010 17.696 1.00 0.00 ATOM 1239 O LEU A 161 0.091 19.109 16.297 1.00 0.00 ATOM 1240 C LEU A 161 -0.424 19.935 15.564 1.00 0.00 ATOM 1241 N GLN A 162 -1.671 19.839 15.107 1.00 0.00 ATOM 1242 CA GLN A 162 -2.547 18.703 15.410 1.00 0.00 ATOM 1243 CB GLN A 162 -3.915 18.877 14.727 1.00 0.00 ATOM 1244 CG GLN A 162 -4.818 17.623 14.823 1.00 0.00 ATOM 1245 CD GLN A 162 -6.287 17.915 14.634 1.00 0.00 ATOM 1246 OE1 GLN A 162 -6.781 18.989 15.005 1.00 0.00 ATOM 1247 NE2 GLN A 162 -7.008 16.949 14.072 1.00 0.00 ATOM 1248 O GLN A 162 -2.046 16.391 15.756 1.00 0.00 ATOM 1249 C GLN A 162 -1.937 17.352 15.013 1.00 0.00 ATOM 1250 N ASP A 163 -1.309 17.291 13.839 1.00 0.00 ATOM 1251 CA ASP A 163 -0.617 16.074 13.398 1.00 0.00 ATOM 1252 CB ASP A 163 -0.022 16.248 11.994 1.00 0.00 ATOM 1253 CG ASP A 163 -1.081 16.354 10.919 1.00 0.00 ATOM 1254 OD1 ASP A 163 -2.283 16.288 11.254 1.00 0.00 ATOM 1255 OD2 ASP A 163 -0.713 16.506 9.730 1.00 0.00 ATOM 1256 O ASP A 163 0.605 14.515 14.723 1.00 0.00 ATOM 1257 C ASP A 163 0.487 15.676 14.373 1.00 0.00 ATOM 1258 N GLN A 164 1.282 16.650 14.815 1.00 0.00 ATOM 1259 CA GLN A 164 2.370 16.393 15.764 1.00 0.00 ATOM 1260 CB GLN A 164 3.193 17.666 16.004 1.00 0.00 ATOM 1261 CG GLN A 164 3.934 18.171 14.777 1.00 0.00 ATOM 1262 CD GLN A 164 4.931 17.161 14.218 1.00 0.00 ATOM 1263 OE1 GLN A 164 4.968 16.909 13.010 1.00 0.00 ATOM 1264 NE2 GLN A 164 5.746 16.582 15.099 1.00 0.00 ATOM 1265 O GLN A 164 2.606 15.107 17.774 1.00 0.00 ATOM 1266 C GLN A 164 1.884 15.839 17.109 1.00 0.00 ATOM 1267 N ILE A 165 0.662 16.203 17.492 1.00 0.00 ATOM 1268 CA ILE A 165 0.035 15.758 18.747 1.00 0.00 ATOM 1269 CB ILE A 165 -0.712 16.948 19.419 1.00 0.00 ATOM 1270 CG1 ILE A 165 0.291 18.038 19.844 1.00 0.00 ATOM 1271 CG2 ILE A 165 -1.513 16.473 20.608 1.00 0.00 ATOM 1272 CD1 ILE A 165 -0.303 19.419 19.899 1.00 0.00 ATOM 1273 O ILE A 165 -0.620 13.423 18.693 1.00 0.00 ATOM 1274 C ILE A 165 -0.951 14.601 18.499 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 T0308.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0308)K22.C and (T0308)P23.C only 0.000 apart, marking (T0308)P23.C as missing WARNING: atoms too close: (T0308)P23.N and (T0308)S24.N only 0.000 apart, marking (T0308)P23.N as missing WARNING: atoms too close: (T0308)P23.CA and (T0308)S24.CA only 0.000 apart, marking (T0308)P23.CA as missing WARNING: atoms too close: (T0308)V122.C and (T0308)V125.C only 0.000 apart, marking (T0308)V125.C as missing WARNING: atoms too close: (T0308)T123.N and (T0308)K126.N only 0.000 apart, marking (T0308)T123.N as missing WARNING: atoms too close: (T0308)T123.CA and (T0308)K126.CA only 0.000 apart, marking (T0308)T123.CA as missing # WARNING: incomplete conformation T0308 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 = 0.897 # GDT_score = -64.545 # GDT_score(maxd=8.000,maxw=2.900)= -66.387 # GDT_score(maxd=8.000,maxw=3.200)= -63.956 # GDT_score(maxd=8.000,maxw=3.500)= -61.257 # GDT_score(maxd=10.000,maxw=3.800)= -63.846 # GDT_score(maxd=10.000,maxw=4.000)= -61.966 # GDT_score(maxd=10.000,maxw=4.200)= -60.064 # GDT_score(maxd=12.000,maxw=4.300)= -63.333 # GDT_score(maxd=12.000,maxw=4.500)= -61.462 # GDT_score(maxd=12.000,maxw=4.700)= -59.643 # GDT_score(maxd=14.000,maxw=5.200)= -58.601 # GDT_score(maxd=14.000,maxw=5.500)= -56.113 # command:# ReadConformPDB reading from PDB file T0308.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0308)K22.C and (T0308)P23.C only 0.000 apart, marking (T0308)P23.C as missing WARNING: atoms too close: (T0308)P23.N and (T0308)S24.N only 0.000 apart, marking (T0308)P23.N as missing WARNING: atoms too close: (T0308)P23.CA and (T0308)S24.CA only 0.000 apart, marking (T0308)P23.CA as missing WARNING: atoms too close: (T0308)H99.C and (T0308)I102.C only 0.000 apart, marking (T0308)I102.C as missing WARNING: atoms too close: (T0308)P100.N and (T0308)K103.N only 0.000 apart, marking (T0308)P100.N as missing WARNING: atoms too close: (T0308)P100.CA and (T0308)K103.CA only 0.000 apart, marking (T0308)P100.CA as missing WARNING: atoms too close: (T0308)V122.C and (T0308)V125.C only 0.000 apart, marking (T0308)V125.C as missing WARNING: atoms too close: (T0308)T123.N and (T0308)K126.N only 0.000 apart, marking (T0308)T123.N as missing WARNING: atoms too close: (T0308)T123.CA and (T0308)K126.CA only 0.000 apart, marking (T0308)T123.CA as missing # WARNING: incomplete conformation T0308 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 = 0.939 # GDT_score = -59.091 # GDT_score(maxd=8.000,maxw=2.900)= -60.372 # GDT_score(maxd=8.000,maxw=3.200)= -57.354 # GDT_score(maxd=8.000,maxw=3.500)= -54.416 # GDT_score(maxd=10.000,maxw=3.800)= -57.948 # GDT_score(maxd=10.000,maxw=4.000)= -56.023 # GDT_score(maxd=10.000,maxw=4.200)= -54.154 # GDT_score(maxd=12.000,maxw=4.300)= -58.010 # GDT_score(maxd=12.000,maxw=4.500)= -56.160 # GDT_score(maxd=12.000,maxw=4.700)= -54.379 # GDT_score(maxd=14.000,maxw=5.200)= -53.808 # GDT_score(maxd=14.000,maxw=5.500)= -51.449 # command:# ReadConformPDB reading from PDB file T0308.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0308)Q27.C and (T0308)Q29.C only 0.000 apart, marking (T0308)Q29.C as missing WARNING: atoms too close: (T0308)S28.N and (T0308)N30.N only 0.000 apart, marking (T0308)S28.N as missing WARNING: atoms too close: (T0308)S28.CA and (T0308)N30.CA only 0.000 apart, marking (T0308)S28.CA as missing WARNING: atoms too close: (T0308)H104.C and (T0308)R106.C only 0.000 apart, marking (T0308)R106.C as missing WARNING: atoms too close: (T0308)R105.N and (T0308)I107.N only 0.000 apart, marking (T0308)R105.N as missing WARNING: atoms too close: (T0308)R105.CA and (T0308)I107.CA only 0.000 apart, marking (T0308)R105.CA as missing # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0308.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0308)K22.C and (T0308)P23.C only 0.000 apart, marking (T0308)P23.C as missing WARNING: atoms too close: (T0308)P23.N and (T0308)S24.N only 0.000 apart, marking (T0308)P23.N as missing WARNING: atoms too close: (T0308)P23.CA and (T0308)S24.CA only 0.000 apart, marking (T0308)P23.CA as missing WARNING: atoms too close: (T0308)P100.C and (T0308)I102.C only 0.000 apart, marking (T0308)I102.C as missing WARNING: atoms too close: (T0308)D101.N and (T0308)K103.N only 0.000 apart, marking (T0308)D101.N as missing WARNING: atoms too close: (T0308)D101.CA and (T0308)K103.CA only 0.000 apart, marking (T0308)D101.CA as missing WARNING: atoms too close: (T0308)A121.C and (T0308)V125.C only 0.000 apart, marking (T0308)V125.C as missing WARNING: atoms too close: (T0308)V122.N and (T0308)K126.N only 0.000 apart, marking (T0308)V122.N as missing WARNING: atoms too close: (T0308)V122.CA and (T0308)K126.CA only 0.000 apart, marking (T0308)V122.CA as missing # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0308.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0308)K22.C and (T0308)P23.C only 0.000 apart, marking (T0308)P23.C as missing WARNING: atoms too close: (T0308)P23.N and (T0308)S24.N only 0.000 apart, marking (T0308)P23.N as missing WARNING: atoms too close: (T0308)P23.CA and (T0308)S24.CA only 0.000 apart, marking (T0308)P23.CA as missing WARNING: atoms too close: (T0308)H99.C and (T0308)I102.C only 0.000 apart, marking (T0308)I102.C as missing WARNING: atoms too close: (T0308)P100.N and (T0308)K103.N only 0.000 apart, marking (T0308)P100.N as missing WARNING: atoms too close: (T0308)P100.CA and (T0308)K103.CA only 0.000 apart, marking (T0308)P100.CA as missing WARNING: atoms too close: (T0308)V122.C and (T0308)V125.C only 0.000 apart, marking (T0308)V125.C as missing WARNING: atoms too close: (T0308)T123.N and (T0308)K126.N only 0.000 apart, marking (T0308)T123.N as missing WARNING: atoms too close: (T0308)T123.CA and (T0308)K126.CA only 0.000 apart, marking (T0308)T123.CA as missing # WARNING: incomplete conformation T0308 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 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try1-opt2-chimera-D120-H142-mod16.pdb.gz looking for model 1 Skipped atom 914, because occupancy 1.000 <= existing 1.000 in T0308.try1-opt2-chimera-D120-H142-mod16.pdb.gz # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0308.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try11-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 T0308.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try12-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 T0308.try2-chimera-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try2-chimera-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try2-chimera-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0308.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-9-4.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr308-scwrl.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr308.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../3mer/decoys/3mer-try1-model.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//3mer-try1-model # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try1-opt1 # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation 3mer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try1-opt2 # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt1 # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt2.BAC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt2.BAC # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt2.CAB.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt2.CAB # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt2 # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt2.reversed.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt2.reversed # ReadConformPDB reading from PDB file ../3mer/decoys/T0308.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation 3mer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-t5o2-try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-t5o2-try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-t5o2-try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-t5o2-try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-t5o2-try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-t5o2-try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-t5o2-try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-t5o2-try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.dimer-try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try10-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0308.try2-opt2.gromacs0.pdb.gz failed. # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0308.try3-opt2.gromacs0.pdb.gz failed. # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0308.try4-opt2.gromacs0.pdb.gz failed. # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0308.try5-opt2.gromacs0.pdb.gz failed. # naming current conformation dimer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0308.try6-opt2.gromacs0.pdb.gz failed. # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try7-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0308.try7-opt2.gromacs0.pdb.gz failed. # naming current conformation dimer//try7-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try8-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0308.try8-opt2.gromacs0.pdb.gz failed. # naming current conformation dimer//try8-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0308.try9-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0308.try9-opt2.gromacs0.pdb.gz failed. # naming current conformation dimer//try9-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try1-opt1-1o3yA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try1-opt1-1o3yA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try1-opt1-1o3yA.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try1-opt1-1o3yA.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try3-opt2-1o3yA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try3-opt2-1o3yA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try3-opt2-1o3yA.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try3-opt2-1o3yA.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try4-opt2-1o3yA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try4-opt2-1o3yA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try4-opt2-1o3yA.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try4-opt2-1o3yA.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try5-opt2-1o3yA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try5-opt2-1o3yA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try5-opt2-1o3yA.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try5-opt2-1o3yA.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try1-1o3yA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-1o3yA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try1-1o3yA.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-1o3yA.repack-nonPC # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1261125110.pdb -s /var/tmp/to_scwrl_1261125110.seq -o /var/tmp/from_scwrl_1261125110.pdb > /var/tmp/scwrl_1261125110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261125110.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 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2098884155.pdb -s /var/tmp/to_scwrl_2098884155.seq -o /var/tmp/from_scwrl_2098884155.pdb > /var/tmp/scwrl_2098884155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098884155.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 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_245404020.pdb -s /var/tmp/to_scwrl_245404020.seq -o /var/tmp/from_scwrl_245404020.pdb > /var/tmp/scwrl_245404020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245404020.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 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_784289561.pdb -s /var/tmp/to_scwrl_784289561.seq -o /var/tmp/from_scwrl_784289561.pdb > /var/tmp/scwrl_784289561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784289561.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 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_808041850.pdb -s /var/tmp/to_scwrl_808041850.seq -o /var/tmp/from_scwrl_808041850.pdb > /var/tmp/scwrl_808041850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_808041850.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 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_663096072.pdb -s /var/tmp/to_scwrl_663096072.seq -o /var/tmp/from_scwrl_663096072.pdb > /var/tmp/scwrl_663096072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663096072.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 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1805345668.pdb -s /var/tmp/to_scwrl_1805345668.seq -o /var/tmp/from_scwrl_1805345668.pdb > /var/tmp/scwrl_1805345668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1805345668.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_542419617.pdb -s /var/tmp/to_scwrl_542419617.seq -o /var/tmp/from_scwrl_542419617.pdb > /var/tmp/scwrl_542419617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542419617.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_398457786.pdb -s /var/tmp/to_scwrl_398457786.seq -o /var/tmp/from_scwrl_398457786.pdb > /var/tmp/scwrl_398457786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398457786.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1793342056.pdb -s /var/tmp/to_scwrl_1793342056.seq -o /var/tmp/from_scwrl_1793342056.pdb > /var/tmp/scwrl_1793342056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793342056.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_986054968.pdb -s /var/tmp/to_scwrl_986054968.seq -o /var/tmp/from_scwrl_986054968.pdb > /var/tmp/scwrl_986054968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986054968.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 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1675979094.pdb -s /var/tmp/to_scwrl_1675979094.seq -o /var/tmp/from_scwrl_1675979094.pdb > /var/tmp/scwrl_1675979094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1675979094.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 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_398976883.pdb -s /var/tmp/to_scwrl_398976883.seq -o /var/tmp/from_scwrl_398976883.pdb > /var/tmp/scwrl_398976883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398976883.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 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_928542887.pdb -s /var/tmp/to_scwrl_928542887.seq -o /var/tmp/from_scwrl_928542887.pdb > /var/tmp/scwrl_928542887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928542887.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_831116438.pdb -s /var/tmp/to_scwrl_831116438.seq -o /var/tmp/from_scwrl_831116438.pdb > /var/tmp/scwrl_831116438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831116438.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 102 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_56365064.pdb -s /var/tmp/to_scwrl_56365064.seq -o /var/tmp/from_scwrl_56365064.pdb > /var/tmp/scwrl_56365064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56365064.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 153 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1795079142.pdb -s /var/tmp/to_scwrl_1795079142.seq -o /var/tmp/from_scwrl_1795079142.pdb > /var/tmp/scwrl_1795079142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795079142.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 45 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_166872519.pdb -s /var/tmp/to_scwrl_166872519.seq -o /var/tmp/from_scwrl_166872519.pdb > /var/tmp/scwrl_166872519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166872519.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 114 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1416626840.pdb -s /var/tmp/to_scwrl_1416626840.seq -o /var/tmp/from_scwrl_1416626840.pdb > /var/tmp/scwrl_1416626840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1416626840.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 150 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2135772654.pdb -s /var/tmp/to_scwrl_2135772654.seq -o /var/tmp/from_scwrl_2135772654.pdb > /var/tmp/scwrl_2135772654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135772654.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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_379322849.pdb -s /var/tmp/to_scwrl_379322849.seq -o /var/tmp/from_scwrl_379322849.pdb > /var/tmp/scwrl_379322849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379322849.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 144 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_733722223.pdb -s /var/tmp/to_scwrl_733722223.seq -o /var/tmp/from_scwrl_733722223.pdb > /var/tmp/scwrl_733722223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_733722223.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 120 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1237187876.pdb -s /var/tmp/to_scwrl_1237187876.seq -o /var/tmp/from_scwrl_1237187876.pdb > /var/tmp/scwrl_1237187876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237187876.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 139 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_160067470.pdb -s /var/tmp/to_scwrl_160067470.seq -o /var/tmp/from_scwrl_160067470.pdb > /var/tmp/scwrl_160067470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_160067470.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 142 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1145056848.pdb -s /var/tmp/to_scwrl_1145056848.seq -o /var/tmp/from_scwrl_1145056848.pdb > /var/tmp/scwrl_1145056848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145056848.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 101 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_669674196.pdb -s /var/tmp/to_scwrl_669674196.seq -o /var/tmp/from_scwrl_669674196.pdb > /var/tmp/scwrl_669674196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669674196.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 136 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_250857827.pdb -s /var/tmp/to_scwrl_250857827.seq -o /var/tmp/from_scwrl_250857827.pdb > /var/tmp/scwrl_250857827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_250857827.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 139 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_698387949.pdb -s /var/tmp/to_scwrl_698387949.seq -o /var/tmp/from_scwrl_698387949.pdb > /var/tmp/scwrl_698387949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698387949.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 143 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2101922994.pdb -s /var/tmp/to_scwrl_2101922994.seq -o /var/tmp/from_scwrl_2101922994.pdb > /var/tmp/scwrl_2101922994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101922994.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 139 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2057424119.pdb -s /var/tmp/to_scwrl_2057424119.seq -o /var/tmp/from_scwrl_2057424119.pdb > /var/tmp/scwrl_2057424119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057424119.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_681475885.pdb -s /var/tmp/to_scwrl_681475885.seq -o /var/tmp/from_scwrl_681475885.pdb > /var/tmp/scwrl_681475885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681475885.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1215564457.pdb -s /var/tmp/to_scwrl_1215564457.seq -o /var/tmp/from_scwrl_1215564457.pdb > /var/tmp/scwrl_1215564457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1215564457.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 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2008824628.pdb -s /var/tmp/to_scwrl_2008824628.seq -o /var/tmp/from_scwrl_2008824628.pdb > /var/tmp/scwrl_2008824628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008824628.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_926879905.pdb -s /var/tmp/to_scwrl_926879905.seq -o /var/tmp/from_scwrl_926879905.pdb > /var/tmp/scwrl_926879905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926879905.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 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1999854019.pdb -s /var/tmp/to_scwrl_1999854019.seq -o /var/tmp/from_scwrl_1999854019.pdb > /var/tmp/scwrl_1999854019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1999854019.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 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_669382831.pdb -s /var/tmp/to_scwrl_669382831.seq -o /var/tmp/from_scwrl_669382831.pdb > /var/tmp/scwrl_669382831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669382831.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1589975976.pdb -s /var/tmp/to_scwrl_1589975976.seq -o /var/tmp/from_scwrl_1589975976.pdb > /var/tmp/scwrl_1589975976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589975976.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1657716040.pdb -s /var/tmp/to_scwrl_1657716040.seq -o /var/tmp/from_scwrl_1657716040.pdb > /var/tmp/scwrl_1657716040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657716040.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 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1211802447.pdb -s /var/tmp/to_scwrl_1211802447.seq -o /var/tmp/from_scwrl_1211802447.pdb > /var/tmp/scwrl_1211802447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211802447.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 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1988433763.pdb -s /var/tmp/to_scwrl_1988433763.seq -o /var/tmp/from_scwrl_1988433763.pdb > /var/tmp/scwrl_1988433763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988433763.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 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1303574449.pdb -s /var/tmp/to_scwrl_1303574449.seq -o /var/tmp/from_scwrl_1303574449.pdb > /var/tmp/scwrl_1303574449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303574449.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_50373769.pdb -s /var/tmp/to_scwrl_50373769.seq -o /var/tmp/from_scwrl_50373769.pdb > /var/tmp/scwrl_50373769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50373769.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1516929210.pdb -s /var/tmp/to_scwrl_1516929210.seq -o /var/tmp/from_scwrl_1516929210.pdb > /var/tmp/scwrl_1516929210.log Error: Couldn't open file /var/tmp/from_scwrl_1516929210.pdb or /var/tmp/from_scwrl_1516929210.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1516929210_b.pdb or decoys//var/tmp/from_scwrl_1516929210_b.pdb.gz for input Trying /var/tmp/from_scwrl_1516929210_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1516929210_b.pdb or /var/tmp/from_scwrl_1516929210_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1516929210_a.pdb or decoys//var/tmp/from_scwrl_1516929210_a.pdb.gz for input Trying /var/tmp/from_scwrl_1516929210_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1516929210_a.pdb or /var/tmp/from_scwrl_1516929210_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1516929210.pdb or /var/tmp/from_scwrl_1516929210_b.pdb or /var/tmp/from_scwrl_1516929210_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 T0308 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1702551332.pdb -s /var/tmp/to_scwrl_1702551332.seq -o /var/tmp/from_scwrl_1702551332.pdb > /var/tmp/scwrl_1702551332.log Error: Couldn't open file /var/tmp/from_scwrl_1702551332.pdb or /var/tmp/from_scwrl_1702551332.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1702551332_b.pdb or decoys//var/tmp/from_scwrl_1702551332_b.pdb.gz for input Trying /var/tmp/from_scwrl_1702551332_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1702551332_b.pdb or /var/tmp/from_scwrl_1702551332_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1702551332_a.pdb or decoys//var/tmp/from_scwrl_1702551332_a.pdb.gz for input Trying /var/tmp/from_scwrl_1702551332_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1702551332_a.pdb or /var/tmp/from_scwrl_1702551332_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1702551332.pdb or /var/tmp/from_scwrl_1702551332_b.pdb or /var/tmp/from_scwrl_1702551332_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 T0308 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_978916656.pdb -s /var/tmp/to_scwrl_978916656.seq -o /var/tmp/from_scwrl_978916656.pdb > /var/tmp/scwrl_978916656.log Error: Couldn't open file /var/tmp/from_scwrl_978916656.pdb or /var/tmp/from_scwrl_978916656.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_978916656_b.pdb or decoys//var/tmp/from_scwrl_978916656_b.pdb.gz for input Trying /var/tmp/from_scwrl_978916656_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_978916656_b.pdb or /var/tmp/from_scwrl_978916656_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_978916656_a.pdb or decoys//var/tmp/from_scwrl_978916656_a.pdb.gz for input Trying /var/tmp/from_scwrl_978916656_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_978916656_a.pdb or /var/tmp/from_scwrl_978916656_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_978916656.pdb or /var/tmp/from_scwrl_978916656_b.pdb or /var/tmp/from_scwrl_978916656_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 T0308 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_200562001.pdb -s /var/tmp/to_scwrl_200562001.seq -o /var/tmp/from_scwrl_200562001.pdb > /var/tmp/scwrl_200562001.log Error: Couldn't open file /var/tmp/from_scwrl_200562001.pdb or /var/tmp/from_scwrl_200562001.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_200562001_b.pdb or decoys//var/tmp/from_scwrl_200562001_b.pdb.gz for input Trying /var/tmp/from_scwrl_200562001_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_200562001_b.pdb or /var/tmp/from_scwrl_200562001_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_200562001_a.pdb or decoys//var/tmp/from_scwrl_200562001_a.pdb.gz for input Trying /var/tmp/from_scwrl_200562001_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_200562001_a.pdb or /var/tmp/from_scwrl_200562001_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_200562001.pdb or /var/tmp/from_scwrl_200562001_b.pdb or /var/tmp/from_scwrl_200562001_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 T0308 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1758916396.pdb -s /var/tmp/to_scwrl_1758916396.seq -o /var/tmp/from_scwrl_1758916396.pdb > /var/tmp/scwrl_1758916396.log Error: Couldn't open file /var/tmp/from_scwrl_1758916396.pdb or /var/tmp/from_scwrl_1758916396.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758916396_b.pdb or decoys//var/tmp/from_scwrl_1758916396_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758916396_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758916396_b.pdb or /var/tmp/from_scwrl_1758916396_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758916396_a.pdb or decoys//var/tmp/from_scwrl_1758916396_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758916396_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758916396_a.pdb or /var/tmp/from_scwrl_1758916396_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758916396.pdb or /var/tmp/from_scwrl_1758916396_b.pdb or /var/tmp/from_scwrl_1758916396_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 104 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_626512151.pdb -s /var/tmp/to_scwrl_626512151.seq -o /var/tmp/from_scwrl_626512151.pdb > /var/tmp/scwrl_626512151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626512151.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 # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_367434521.pdb -s /var/tmp/to_scwrl_367434521.seq -o /var/tmp/from_scwrl_367434521.pdb > /var/tmp/scwrl_367434521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367434521.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 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1028059590.pdb -s /var/tmp/to_scwrl_1028059590.seq -o /var/tmp/from_scwrl_1028059590.pdb > /var/tmp/scwrl_1028059590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1028059590.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_614801159.pdb -s /var/tmp/to_scwrl_614801159.seq -o /var/tmp/from_scwrl_614801159.pdb > /var/tmp/scwrl_614801159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614801159.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 # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_746757370.pdb -s /var/tmp/to_scwrl_746757370.seq -o /var/tmp/from_scwrl_746757370.pdb > /var/tmp/scwrl_746757370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746757370.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 158 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1761781813.pdb -s /var/tmp/to_scwrl_1761781813.seq -o /var/tmp/from_scwrl_1761781813.pdb > /var/tmp/scwrl_1761781813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761781813.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 139 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1851989035.pdb -s /var/tmp/to_scwrl_1851989035.seq -o /var/tmp/from_scwrl_1851989035.pdb > /var/tmp/scwrl_1851989035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851989035.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 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_906824841.pdb -s /var/tmp/to_scwrl_906824841.seq -o /var/tmp/from_scwrl_906824841.pdb > /var/tmp/scwrl_906824841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906824841.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 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_759355015.pdb -s /var/tmp/to_scwrl_759355015.seq -o /var/tmp/from_scwrl_759355015.pdb > /var/tmp/scwrl_759355015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759355015.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 # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_374179584.pdb -s /var/tmp/to_scwrl_374179584.seq -o /var/tmp/from_scwrl_374179584.pdb > /var/tmp/scwrl_374179584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374179584.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 27 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1157682667.pdb -s /var/tmp/to_scwrl_1157682667.seq -o /var/tmp/from_scwrl_1157682667.pdb > /var/tmp/scwrl_1157682667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1157682667.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 139 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1457742963.pdb -s /var/tmp/to_scwrl_1457742963.seq -o /var/tmp/from_scwrl_1457742963.pdb > /var/tmp/scwrl_1457742963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457742963.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 138 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_328618932.pdb -s /var/tmp/to_scwrl_328618932.seq -o /var/tmp/from_scwrl_328618932.pdb > /var/tmp/scwrl_328618932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328618932.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 83 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1067623141.pdb -s /var/tmp/to_scwrl_1067623141.seq -o /var/tmp/from_scwrl_1067623141.pdb > /var/tmp/scwrl_1067623141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067623141.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 139 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2139218849.pdb -s /var/tmp/to_scwrl_2139218849.seq -o /var/tmp/from_scwrl_2139218849.pdb > /var/tmp/scwrl_2139218849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139218849.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1544183389.pdb -s /var/tmp/to_scwrl_1544183389.seq -o /var/tmp/from_scwrl_1544183389.pdb > /var/tmp/scwrl_1544183389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544183389.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 T0308 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_928964122.pdb -s /var/tmp/to_scwrl_928964122.seq -o /var/tmp/from_scwrl_928964122.pdb > /var/tmp/scwrl_928964122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928964122.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 T0308 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_918615107.pdb -s /var/tmp/to_scwrl_918615107.seq -o /var/tmp/from_scwrl_918615107.pdb > /var/tmp/scwrl_918615107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918615107.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 T0308 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1396553761.pdb -s /var/tmp/to_scwrl_1396553761.seq -o /var/tmp/from_scwrl_1396553761.pdb > /var/tmp/scwrl_1396553761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1396553761.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 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1598346952.pdb -s /var/tmp/to_scwrl_1598346952.seq -o /var/tmp/from_scwrl_1598346952.pdb > /var/tmp/scwrl_1598346952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598346952.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 T0308 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_361107437.pdb -s /var/tmp/to_scwrl_361107437.seq -o /var/tmp/from_scwrl_361107437.pdb > /var/tmp/scwrl_361107437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361107437.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_906786155.pdb -s /var/tmp/to_scwrl_906786155.seq -o /var/tmp/from_scwrl_906786155.pdb > /var/tmp/scwrl_906786155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906786155.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 T0308 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_662665754.pdb -s /var/tmp/to_scwrl_662665754.seq -o /var/tmp/from_scwrl_662665754.pdb > /var/tmp/scwrl_662665754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662665754.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 Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 195, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 197, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 201, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 203, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 342, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 344, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_202057553.pdb -s /var/tmp/to_scwrl_202057553.seq -o /var/tmp/from_scwrl_202057553.pdb > /var/tmp/scwrl_202057553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202057553.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 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_62876957.pdb -s /var/tmp/to_scwrl_62876957.seq -o /var/tmp/from_scwrl_62876957.pdb > /var/tmp/scwrl_62876957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_62876957.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 129 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_713039523.pdb -s /var/tmp/to_scwrl_713039523.seq -o /var/tmp/from_scwrl_713039523.pdb > /var/tmp/scwrl_713039523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_713039523.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 126 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1718986763.pdb -s /var/tmp/to_scwrl_1718986763.seq -o /var/tmp/from_scwrl_1718986763.pdb > /var/tmp/scwrl_1718986763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718986763.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 162 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1765428289.pdb -s /var/tmp/to_scwrl_1765428289.seq -o /var/tmp/from_scwrl_1765428289.pdb > /var/tmp/scwrl_1765428289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1765428289.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 159 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1691956178.pdb -s /var/tmp/to_scwrl_1691956178.seq -o /var/tmp/from_scwrl_1691956178.pdb > /var/tmp/scwrl_1691956178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1691956178.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 114 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1919548764.pdb -s /var/tmp/to_scwrl_1919548764.seq -o /var/tmp/from_scwrl_1919548764.pdb > /var/tmp/scwrl_1919548764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919548764.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1376861039.pdb -s /var/tmp/to_scwrl_1376861039.seq -o /var/tmp/from_scwrl_1376861039.pdb > /var/tmp/scwrl_1376861039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376861039.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 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_170984682.pdb -s /var/tmp/to_scwrl_170984682.seq -o /var/tmp/from_scwrl_170984682.pdb > /var/tmp/scwrl_170984682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170984682.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 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_139499638.pdb -s /var/tmp/to_scwrl_139499638.seq -o /var/tmp/from_scwrl_139499638.pdb > /var/tmp/scwrl_139499638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_139499638.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 77 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_257436982.pdb -s /var/tmp/to_scwrl_257436982.seq -o /var/tmp/from_scwrl_257436982.pdb > /var/tmp/scwrl_257436982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257436982.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 66 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_785785841.pdb -s /var/tmp/to_scwrl_785785841.seq -o /var/tmp/from_scwrl_785785841.pdb > /var/tmp/scwrl_785785841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_785785841.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_886257009.pdb -s /var/tmp/to_scwrl_886257009.seq -o /var/tmp/from_scwrl_886257009.pdb > /var/tmp/scwrl_886257009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_886257009.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 T0308 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2019218795.pdb -s /var/tmp/to_scwrl_2019218795.seq -o /var/tmp/from_scwrl_2019218795.pdb > /var/tmp/scwrl_2019218795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019218795.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 T0308 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_490291229.pdb -s /var/tmp/to_scwrl_490291229.seq -o /var/tmp/from_scwrl_490291229.pdb > /var/tmp/scwrl_490291229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490291229.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 T0308 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1793081849.pdb -s /var/tmp/to_scwrl_1793081849.seq -o /var/tmp/from_scwrl_1793081849.pdb > /var/tmp/scwrl_1793081849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793081849.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 T0308 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_631090163.pdb -s /var/tmp/to_scwrl_631090163.seq -o /var/tmp/from_scwrl_631090163.pdb > /var/tmp/scwrl_631090163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_631090163.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 146 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_864470814.pdb -s /var/tmp/to_scwrl_864470814.seq -o /var/tmp/from_scwrl_864470814.pdb > /var/tmp/scwrl_864470814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_864470814.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 158 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_803280870.pdb -s /var/tmp/to_scwrl_803280870.seq -o /var/tmp/from_scwrl_803280870.pdb > /var/tmp/scwrl_803280870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803280870.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 146 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2088833127.pdb -s /var/tmp/to_scwrl_2088833127.seq -o /var/tmp/from_scwrl_2088833127.pdb > /var/tmp/scwrl_2088833127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088833127.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 157 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1193089745.pdb -s /var/tmp/to_scwrl_1193089745.seq -o /var/tmp/from_scwrl_1193089745.pdb > /var/tmp/scwrl_1193089745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193089745.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 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1870904010.pdb -s /var/tmp/to_scwrl_1870904010.seq -o /var/tmp/from_scwrl_1870904010.pdb > /var/tmp/scwrl_1870904010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1870904010.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2080568329.pdb -s /var/tmp/to_scwrl_2080568329.seq -o /var/tmp/from_scwrl_2080568329.pdb > /var/tmp/scwrl_2080568329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2080568329.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 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_589789488.pdb -s /var/tmp/to_scwrl_589789488.seq -o /var/tmp/from_scwrl_589789488.pdb > /var/tmp/scwrl_589789488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589789488.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 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_652384485.pdb -s /var/tmp/to_scwrl_652384485.seq -o /var/tmp/from_scwrl_652384485.pdb > /var/tmp/scwrl_652384485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652384485.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 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_851699789.pdb -s /var/tmp/to_scwrl_851699789.seq -o /var/tmp/from_scwrl_851699789.pdb > /var/tmp/scwrl_851699789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851699789.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 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1986343250.pdb -s /var/tmp/to_scwrl_1986343250.seq -o /var/tmp/from_scwrl_1986343250.pdb > /var/tmp/scwrl_1986343250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986343250.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 57 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_103247791.pdb -s /var/tmp/to_scwrl_103247791.seq -o /var/tmp/from_scwrl_103247791.pdb > /var/tmp/scwrl_103247791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103247791.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 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1212807225.pdb -s /var/tmp/to_scwrl_1212807225.seq -o /var/tmp/from_scwrl_1212807225.pdb > /var/tmp/scwrl_1212807225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212807225.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 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_745645758.pdb -s /var/tmp/to_scwrl_745645758.seq -o /var/tmp/from_scwrl_745645758.pdb > /var/tmp/scwrl_745645758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745645758.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_765913545.pdb -s /var/tmp/to_scwrl_765913545.seq -o /var/tmp/from_scwrl_765913545.pdb > /var/tmp/scwrl_765913545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765913545.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1414864778.pdb -s /var/tmp/to_scwrl_1414864778.seq -o /var/tmp/from_scwrl_1414864778.pdb > /var/tmp/scwrl_1414864778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414864778.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_808522716.pdb -s /var/tmp/to_scwrl_808522716.seq -o /var/tmp/from_scwrl_808522716.pdb > /var/tmp/scwrl_808522716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_808522716.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 T0308 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1478953067.pdb -s /var/tmp/to_scwrl_1478953067.seq -o /var/tmp/from_scwrl_1478953067.pdb > /var/tmp/scwrl_1478953067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478953067.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_986367895.pdb -s /var/tmp/to_scwrl_986367895.seq -o /var/tmp/from_scwrl_986367895.pdb > /var/tmp/scwrl_986367895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986367895.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_426467358.pdb -s /var/tmp/to_scwrl_426467358.seq -o /var/tmp/from_scwrl_426467358.pdb > /var/tmp/scwrl_426467358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_426467358.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 # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1023425599.pdb -s /var/tmp/to_scwrl_1023425599.seq -o /var/tmp/from_scwrl_1023425599.pdb > /var/tmp/scwrl_1023425599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023425599.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 # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_758433013.pdb -s /var/tmp/to_scwrl_758433013.seq -o /var/tmp/from_scwrl_758433013.pdb > /var/tmp/scwrl_758433013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758433013.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 # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1803328397.pdb -s /var/tmp/to_scwrl_1803328397.seq -o /var/tmp/from_scwrl_1803328397.pdb > /var/tmp/scwrl_1803328397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803328397.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1194410280.pdb -s /var/tmp/to_scwrl_1194410280.seq -o /var/tmp/from_scwrl_1194410280.pdb > /var/tmp/scwrl_1194410280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194410280.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_897932651.pdb -s /var/tmp/to_scwrl_897932651.seq -o /var/tmp/from_scwrl_897932651.pdb > /var/tmp/scwrl_897932651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897932651.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 10 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2060765380.pdb -s /var/tmp/to_scwrl_2060765380.seq -o /var/tmp/from_scwrl_2060765380.pdb > /var/tmp/scwrl_2060765380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2060765380.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 103 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1980196122.pdb -s /var/tmp/to_scwrl_1980196122.seq -o /var/tmp/from_scwrl_1980196122.pdb > /var/tmp/scwrl_1980196122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980196122.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 21 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1784189659.pdb -s /var/tmp/to_scwrl_1784189659.seq -o /var/tmp/from_scwrl_1784189659.pdb > /var/tmp/scwrl_1784189659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784189659.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 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1932500528.pdb -s /var/tmp/to_scwrl_1932500528.seq -o /var/tmp/from_scwrl_1932500528.pdb > /var/tmp/scwrl_1932500528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932500528.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 143 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_323003704.pdb -s /var/tmp/to_scwrl_323003704.seq -o /var/tmp/from_scwrl_323003704.pdb > /var/tmp/scwrl_323003704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323003704.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1429787861.pdb -s /var/tmp/to_scwrl_1429787861.seq -o /var/tmp/from_scwrl_1429787861.pdb > /var/tmp/scwrl_1429787861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429787861.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-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 149 ; scwrl3 -i /var/tmp/to_scwrl_416107045.pdb -s /var/tmp/to_scwrl_416107045.seq -o /var/tmp/from_scwrl_416107045.pdb > /var/tmp/scwrl_416107045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_416107045.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 149 ; scwrl3 -i /var/tmp/to_scwrl_1187474517.pdb -s /var/tmp/to_scwrl_1187474517.seq -o /var/tmp/from_scwrl_1187474517.pdb > /var/tmp/scwrl_1187474517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187474517.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 149 ; scwrl3 -i /var/tmp/to_scwrl_85585085.pdb -s /var/tmp/to_scwrl_85585085.seq -o /var/tmp/from_scwrl_85585085.pdb > /var/tmp/scwrl_85585085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85585085.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 149 ; scwrl3 -i /var/tmp/to_scwrl_357456525.pdb -s /var/tmp/to_scwrl_357456525.seq -o /var/tmp/from_scwrl_357456525.pdb > /var/tmp/scwrl_357456525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357456525.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 149 ; scwrl3 -i /var/tmp/to_scwrl_233080616.pdb -s /var/tmp/to_scwrl_233080616.seq -o /var/tmp/from_scwrl_233080616.pdb > /var/tmp/scwrl_233080616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233080616.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 107 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1956489095.pdb -s /var/tmp/to_scwrl_1956489095.seq -o /var/tmp/from_scwrl_1956489095.pdb > /var/tmp/scwrl_1956489095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956489095.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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_290541207.pdb -s /var/tmp/to_scwrl_290541207.seq -o /var/tmp/from_scwrl_290541207.pdb > /var/tmp/scwrl_290541207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_290541207.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 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_822870105.pdb -s /var/tmp/to_scwrl_822870105.seq -o /var/tmp/from_scwrl_822870105.pdb > /var/tmp/scwrl_822870105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822870105.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 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_461389934.pdb -s /var/tmp/to_scwrl_461389934.seq -o /var/tmp/from_scwrl_461389934.pdb > /var/tmp/scwrl_461389934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461389934.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1142240995.pdb -s /var/tmp/to_scwrl_1142240995.seq -o /var/tmp/from_scwrl_1142240995.pdb > /var/tmp/scwrl_1142240995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142240995.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 135 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_661729708.pdb -s /var/tmp/to_scwrl_661729708.seq -o /var/tmp/from_scwrl_661729708.pdb > /var/tmp/scwrl_661729708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661729708.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 135 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_564637725.pdb -s /var/tmp/to_scwrl_564637725.seq -o /var/tmp/from_scwrl_564637725.pdb > /var/tmp/scwrl_564637725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564637725.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 135 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_207564575.pdb -s /var/tmp/to_scwrl_207564575.seq -o /var/tmp/from_scwrl_207564575.pdb > /var/tmp/scwrl_207564575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207564575.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 135 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1407375465.pdb -s /var/tmp/to_scwrl_1407375465.seq -o /var/tmp/from_scwrl_1407375465.pdb > /var/tmp/scwrl_1407375465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1407375465.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 137 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1330551269.pdb -s /var/tmp/to_scwrl_1330551269.seq -o /var/tmp/from_scwrl_1330551269.pdb > /var/tmp/scwrl_1330551269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330551269.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1622429353.pdb -s /var/tmp/to_scwrl_1622429353.seq -o /var/tmp/from_scwrl_1622429353.pdb > /var/tmp/scwrl_1622429353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1622429353.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 98 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_68414534.pdb -s /var/tmp/to_scwrl_68414534.seq -o /var/tmp/from_scwrl_68414534.pdb > /var/tmp/scwrl_68414534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68414534.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 98 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_662020690.pdb -s /var/tmp/to_scwrl_662020690.seq -o /var/tmp/from_scwrl_662020690.pdb > /var/tmp/scwrl_662020690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662020690.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 98 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_461313602.pdb -s /var/tmp/to_scwrl_461313602.seq -o /var/tmp/from_scwrl_461313602.pdb > /var/tmp/scwrl_461313602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461313602.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 98 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_494881893.pdb -s /var/tmp/to_scwrl_494881893.seq -o /var/tmp/from_scwrl_494881893.pdb > /var/tmp/scwrl_494881893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494881893.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 98 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1685446288.pdb -s /var/tmp/to_scwrl_1685446288.seq -o /var/tmp/from_scwrl_1685446288.pdb > /var/tmp/scwrl_1685446288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685446288.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 135 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1219746614.pdb -s /var/tmp/to_scwrl_1219746614.seq -o /var/tmp/from_scwrl_1219746614.pdb > /var/tmp/scwrl_1219746614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219746614.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 135 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_150726643.pdb -s /var/tmp/to_scwrl_150726643.seq -o /var/tmp/from_scwrl_150726643.pdb > /var/tmp/scwrl_150726643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150726643.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 135 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_732372922.pdb -s /var/tmp/to_scwrl_732372922.seq -o /var/tmp/from_scwrl_732372922.pdb > /var/tmp/scwrl_732372922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732372922.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 135 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2117679265.pdb -s /var/tmp/to_scwrl_2117679265.seq -o /var/tmp/from_scwrl_2117679265.pdb > /var/tmp/scwrl_2117679265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117679265.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 135 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_64008376.pdb -s /var/tmp/to_scwrl_64008376.seq -o /var/tmp/from_scwrl_64008376.pdb > /var/tmp/scwrl_64008376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_64008376.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 105 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_565085397.pdb -s /var/tmp/to_scwrl_565085397.seq -o /var/tmp/from_scwrl_565085397.pdb > /var/tmp/scwrl_565085397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565085397.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 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1754385278.pdb -s /var/tmp/to_scwrl_1754385278.seq -o /var/tmp/from_scwrl_1754385278.pdb > /var/tmp/scwrl_1754385278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1754385278.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 149 ; scwrl3 -i /var/tmp/to_scwrl_1996508905.pdb -s /var/tmp/to_scwrl_1996508905.seq -o /var/tmp/from_scwrl_1996508905.pdb > /var/tmp/scwrl_1996508905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996508905.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 22 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_888089102.pdb -s /var/tmp/to_scwrl_888089102.seq -o /var/tmp/from_scwrl_888089102.pdb > /var/tmp/scwrl_888089102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888089102.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 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1036689493.pdb -s /var/tmp/to_scwrl_1036689493.seq -o /var/tmp/from_scwrl_1036689493.pdb > /var/tmp/scwrl_1036689493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036689493.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 # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_265132303.pdb -s /var/tmp/to_scwrl_265132303.seq -o /var/tmp/from_scwrl_265132303.pdb > /var/tmp/scwrl_265132303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265132303.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 # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2075563619.pdb -s /var/tmp/to_scwrl_2075563619.seq -o /var/tmp/from_scwrl_2075563619.pdb > /var/tmp/scwrl_2075563619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2075563619.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 162 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1122274577.pdb -s /var/tmp/to_scwrl_1122274577.seq -o /var/tmp/from_scwrl_1122274577.pdb > /var/tmp/scwrl_1122274577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122274577.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 107 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_622588828.pdb -s /var/tmp/to_scwrl_622588828.seq -o /var/tmp/from_scwrl_622588828.pdb > /var/tmp/scwrl_622588828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_622588828.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 107 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_161160589.pdb -s /var/tmp/to_scwrl_161160589.seq -o /var/tmp/from_scwrl_161160589.pdb > /var/tmp/scwrl_161160589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161160589.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 105 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_931280027.pdb -s /var/tmp/to_scwrl_931280027.seq -o /var/tmp/from_scwrl_931280027.pdb > /var/tmp/scwrl_931280027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_931280027.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 104 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_913130035.pdb -s /var/tmp/to_scwrl_913130035.seq -o /var/tmp/from_scwrl_913130035.pdb > /var/tmp/scwrl_913130035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913130035.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 104 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_984030694.pdb -s /var/tmp/to_scwrl_984030694.seq -o /var/tmp/from_scwrl_984030694.pdb > /var/tmp/scwrl_984030694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_984030694.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 104 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1392669960.pdb -s /var/tmp/to_scwrl_1392669960.seq -o /var/tmp/from_scwrl_1392669960.pdb > /var/tmp/scwrl_1392669960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392669960.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 103 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2055371030.pdb -s /var/tmp/to_scwrl_2055371030.seq -o /var/tmp/from_scwrl_2055371030.pdb > /var/tmp/scwrl_2055371030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055371030.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 104 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1645760401.pdb -s /var/tmp/to_scwrl_1645760401.seq -o /var/tmp/from_scwrl_1645760401.pdb > /var/tmp/scwrl_1645760401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645760401.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 101 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1957307685.pdb -s /var/tmp/to_scwrl_1957307685.seq -o /var/tmp/from_scwrl_1957307685.pdb > /var/tmp/scwrl_1957307685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957307685.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 107 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_115451958.pdb -s /var/tmp/to_scwrl_115451958.seq -o /var/tmp/from_scwrl_115451958.pdb > /var/tmp/scwrl_115451958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115451958.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 107 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_905652220.pdb -s /var/tmp/to_scwrl_905652220.seq -o /var/tmp/from_scwrl_905652220.pdb > /var/tmp/scwrl_905652220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905652220.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 104 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1140375307.pdb -s /var/tmp/to_scwrl_1140375307.seq -o /var/tmp/from_scwrl_1140375307.pdb > /var/tmp/scwrl_1140375307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140375307.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 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1737881312.pdb -s /var/tmp/to_scwrl_1737881312.seq -o /var/tmp/from_scwrl_1737881312.pdb > /var/tmp/scwrl_1737881312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737881312.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 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_974066755.pdb -s /var/tmp/to_scwrl_974066755.seq -o /var/tmp/from_scwrl_974066755.pdb > /var/tmp/scwrl_974066755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974066755.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 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1802395997.pdb -s /var/tmp/to_scwrl_1802395997.seq -o /var/tmp/from_scwrl_1802395997.pdb > /var/tmp/scwrl_1802395997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1802395997.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 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_51711267.pdb -s /var/tmp/to_scwrl_51711267.seq -o /var/tmp/from_scwrl_51711267.pdb > /var/tmp/scwrl_51711267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_51711267.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 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1468948647.pdb -s /var/tmp/to_scwrl_1468948647.seq -o /var/tmp/from_scwrl_1468948647.pdb > /var/tmp/scwrl_1468948647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468948647.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1340358638.pdb -s /var/tmp/to_scwrl_1340358638.seq -o /var/tmp/from_scwrl_1340358638.pdb > /var/tmp/scwrl_1340358638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340358638.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1271457881.pdb -s /var/tmp/to_scwrl_1271457881.seq -o /var/tmp/from_scwrl_1271457881.pdb > /var/tmp/scwrl_1271457881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1271457881.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 T0308 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1619675290.pdb -s /var/tmp/to_scwrl_1619675290.seq -o /var/tmp/from_scwrl_1619675290.pdb > /var/tmp/scwrl_1619675290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619675290.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 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 82, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 134, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 136, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 143, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 145, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 149, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 151, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 432, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2072731560.pdb -s /var/tmp/to_scwrl_2072731560.seq -o /var/tmp/from_scwrl_2072731560.pdb > /var/tmp/scwrl_2072731560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072731560.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1241653499.pdb -s /var/tmp/to_scwrl_1241653499.seq -o /var/tmp/from_scwrl_1241653499.pdb > /var/tmp/scwrl_1241653499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1241653499.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1683683667.pdb -s /var/tmp/to_scwrl_1683683667.seq -o /var/tmp/from_scwrl_1683683667.pdb > /var/tmp/scwrl_1683683667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683683667.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 T0308 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_490333311.pdb -s /var/tmp/to_scwrl_490333311.seq -o /var/tmp/from_scwrl_490333311.pdb > /var/tmp/scwrl_490333311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490333311.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_848555131.pdb -s /var/tmp/to_scwrl_848555131.seq -o /var/tmp/from_scwrl_848555131.pdb > /var/tmp/scwrl_848555131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848555131.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1532708925.pdb -s /var/tmp/to_scwrl_1532708925.seq -o /var/tmp/from_scwrl_1532708925.pdb > /var/tmp/scwrl_1532708925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532708925.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1378422412.pdb -s /var/tmp/to_scwrl_1378422412.seq -o /var/tmp/from_scwrl_1378422412.pdb > /var/tmp/scwrl_1378422412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1378422412.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1885244624.pdb -s /var/tmp/to_scwrl_1885244624.seq -o /var/tmp/from_scwrl_1885244624.pdb > /var/tmp/scwrl_1885244624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885244624.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 T0308 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1797841228.pdb -s /var/tmp/to_scwrl_1797841228.seq -o /var/tmp/from_scwrl_1797841228.pdb > /var/tmp/scwrl_1797841228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797841228.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 T0308 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1306502384.pdb -s /var/tmp/to_scwrl_1306502384.seq -o /var/tmp/from_scwrl_1306502384.pdb > /var/tmp/scwrl_1306502384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306502384.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 T0308 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_860035555.pdb -s /var/tmp/to_scwrl_860035555.seq -o /var/tmp/from_scwrl_860035555.pdb > /var/tmp/scwrl_860035555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860035555.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 T0308 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_272946409.pdb -s /var/tmp/to_scwrl_272946409.seq -o /var/tmp/from_scwrl_272946409.pdb > /var/tmp/scwrl_272946409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272946409.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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1467662973.pdb -s /var/tmp/to_scwrl_1467662973.seq -o /var/tmp/from_scwrl_1467662973.pdb > /var/tmp/scwrl_1467662973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467662973.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 105 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1791315581.pdb -s /var/tmp/to_scwrl_1791315581.seq -o /var/tmp/from_scwrl_1791315581.pdb > /var/tmp/scwrl_1791315581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1791315581.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 104 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1186076443.pdb -s /var/tmp/to_scwrl_1186076443.seq -o /var/tmp/from_scwrl_1186076443.pdb > /var/tmp/scwrl_1186076443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186076443.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 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_304210020.pdb -s /var/tmp/to_scwrl_304210020.seq -o /var/tmp/from_scwrl_304210020.pdb > /var/tmp/scwrl_304210020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304210020.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 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1036501895.pdb -s /var/tmp/to_scwrl_1036501895.seq -o /var/tmp/from_scwrl_1036501895.pdb > /var/tmp/scwrl_1036501895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036501895.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 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1093963826.pdb -s /var/tmp/to_scwrl_1093963826.seq -o /var/tmp/from_scwrl_1093963826.pdb > /var/tmp/scwrl_1093963826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093963826.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 105 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1949970421.pdb -s /var/tmp/to_scwrl_1949970421.seq -o /var/tmp/from_scwrl_1949970421.pdb > /var/tmp/scwrl_1949970421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1949970421.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 104 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_846325933.pdb -s /var/tmp/to_scwrl_846325933.seq -o /var/tmp/from_scwrl_846325933.pdb > /var/tmp/scwrl_846325933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846325933.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 54 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1209415785.pdb -s /var/tmp/to_scwrl_1209415785.seq -o /var/tmp/from_scwrl_1209415785.pdb > /var/tmp/scwrl_1209415785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209415785.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 41 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_708138995.pdb -s /var/tmp/to_scwrl_708138995.seq -o /var/tmp/from_scwrl_708138995.pdb > /var/tmp/scwrl_708138995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708138995.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 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1986701240.pdb -s /var/tmp/to_scwrl_1986701240.seq -o /var/tmp/from_scwrl_1986701240.pdb > /var/tmp/scwrl_1986701240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986701240.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 105 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_799813451.pdb -s /var/tmp/to_scwrl_799813451.seq -o /var/tmp/from_scwrl_799813451.pdb > /var/tmp/scwrl_799813451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799813451.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 104 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1682205749.pdb -s /var/tmp/to_scwrl_1682205749.seq -o /var/tmp/from_scwrl_1682205749.pdb > /var/tmp/scwrl_1682205749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682205749.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 102 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1641613590.pdb -s /var/tmp/to_scwrl_1641613590.seq -o /var/tmp/from_scwrl_1641613590.pdb > /var/tmp/scwrl_1641613590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641613590.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 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_851524718.pdb -s /var/tmp/to_scwrl_851524718.seq -o /var/tmp/from_scwrl_851524718.pdb > /var/tmp/scwrl_851524718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851524718.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1003670750.pdb -s /var/tmp/to_scwrl_1003670750.seq -o /var/tmp/from_scwrl_1003670750.pdb > /var/tmp/scwrl_1003670750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003670750.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_834488582.pdb -s /var/tmp/to_scwrl_834488582.seq -o /var/tmp/from_scwrl_834488582.pdb > /var/tmp/scwrl_834488582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834488582.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2122982599.pdb -s /var/tmp/to_scwrl_2122982599.seq -o /var/tmp/from_scwrl_2122982599.pdb > /var/tmp/scwrl_2122982599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122982599.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_475862393.pdb -s /var/tmp/to_scwrl_475862393.seq -o /var/tmp/from_scwrl_475862393.pdb > /var/tmp/scwrl_475862393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_475862393.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_759736496.pdb -s /var/tmp/to_scwrl_759736496.seq -o /var/tmp/from_scwrl_759736496.pdb > /var/tmp/scwrl_759736496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759736496.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1217152451.pdb -s /var/tmp/to_scwrl_1217152451.seq -o /var/tmp/from_scwrl_1217152451.pdb > /var/tmp/scwrl_1217152451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1217152451.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_12062413.pdb -s /var/tmp/to_scwrl_12062413.seq -o /var/tmp/from_scwrl_12062413.pdb > /var/tmp/scwrl_12062413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12062413.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1250069806.pdb -s /var/tmp/to_scwrl_1250069806.seq -o /var/tmp/from_scwrl_1250069806.pdb > /var/tmp/scwrl_1250069806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250069806.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2065707583.pdb -s /var/tmp/to_scwrl_2065707583.seq -o /var/tmp/from_scwrl_2065707583.pdb > /var/tmp/scwrl_2065707583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065707583.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 T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1544771338.pdb -s /var/tmp/to_scwrl_1544771338.seq -o /var/tmp/from_scwrl_1544771338.pdb > /var/tmp/scwrl_1544771338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544771338.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_481008572.pdb -s /var/tmp/to_scwrl_481008572.seq -o /var/tmp/from_scwrl_481008572.pdb > /var/tmp/scwrl_481008572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481008572.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1803468560.pdb -s /var/tmp/to_scwrl_1803468560.seq -o /var/tmp/from_scwrl_1803468560.pdb > /var/tmp/scwrl_1803468560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803468560.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 113 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1195128919.pdb -s /var/tmp/to_scwrl_1195128919.seq -o /var/tmp/from_scwrl_1195128919.pdb > /var/tmp/scwrl_1195128919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195128919.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 105 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1787510956.pdb -s /var/tmp/to_scwrl_1787510956.seq -o /var/tmp/from_scwrl_1787510956.pdb > /var/tmp/scwrl_1787510956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787510956.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 103 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_516020468.pdb -s /var/tmp/to_scwrl_516020468.seq -o /var/tmp/from_scwrl_516020468.pdb > /var/tmp/scwrl_516020468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516020468.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 139 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1468075328.pdb -s /var/tmp/to_scwrl_1468075328.seq -o /var/tmp/from_scwrl_1468075328.pdb > /var/tmp/scwrl_1468075328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468075328.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 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1107690283.pdb -s /var/tmp/to_scwrl_1107690283.seq -o /var/tmp/from_scwrl_1107690283.pdb > /var/tmp/scwrl_1107690283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107690283.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 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_159852403.pdb -s /var/tmp/to_scwrl_159852403.seq -o /var/tmp/from_scwrl_159852403.pdb > /var/tmp/scwrl_159852403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159852403.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 T0308 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_506668125.pdb -s /var/tmp/to_scwrl_506668125.seq -o /var/tmp/from_scwrl_506668125.pdb > /var/tmp/scwrl_506668125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_506668125.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 T0308 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1411900303.pdb -s /var/tmp/to_scwrl_1411900303.seq -o /var/tmp/from_scwrl_1411900303.pdb > /var/tmp/scwrl_1411900303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411900303.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 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 23, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 25, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 29, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 134, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 279, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 281, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 283, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 285, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1196354297.pdb -s /var/tmp/to_scwrl_1196354297.seq -o /var/tmp/from_scwrl_1196354297.pdb > /var/tmp/scwrl_1196354297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1196354297.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 T0308 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1600631952.pdb -s /var/tmp/to_scwrl_1600631952.seq -o /var/tmp/from_scwrl_1600631952.pdb > /var/tmp/scwrl_1600631952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1600631952.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 T0308 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1214387078.pdb -s /var/tmp/to_scwrl_1214387078.seq -o /var/tmp/from_scwrl_1214387078.pdb > /var/tmp/scwrl_1214387078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214387078.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 T0308 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2042680231.pdb -s /var/tmp/to_scwrl_2042680231.seq -o /var/tmp/from_scwrl_2042680231.pdb > /var/tmp/scwrl_2042680231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042680231.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 Skipped atom 639, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_662564091.pdb -s /var/tmp/to_scwrl_662564091.seq -o /var/tmp/from_scwrl_662564091.pdb > /var/tmp/scwrl_662564091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662564091.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 T0308 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1922526073.pdb -s /var/tmp/to_scwrl_1922526073.seq -o /var/tmp/from_scwrl_1922526073.pdb > /var/tmp/scwrl_1922526073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922526073.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1881897824.pdb -s /var/tmp/to_scwrl_1881897824.seq -o /var/tmp/from_scwrl_1881897824.pdb > /var/tmp/scwrl_1881897824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1881897824.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1462377541.pdb -s /var/tmp/to_scwrl_1462377541.seq -o /var/tmp/from_scwrl_1462377541.pdb > /var/tmp/scwrl_1462377541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462377541.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1457248175.pdb -s /var/tmp/to_scwrl_1457248175.seq -o /var/tmp/from_scwrl_1457248175.pdb > /var/tmp/scwrl_1457248175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457248175.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 103 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1376027768.pdb -s /var/tmp/to_scwrl_1376027768.seq -o /var/tmp/from_scwrl_1376027768.pdb > /var/tmp/scwrl_1376027768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376027768.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 102 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_166418612.pdb -s /var/tmp/to_scwrl_166418612.seq -o /var/tmp/from_scwrl_166418612.pdb > /var/tmp/scwrl_166418612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166418612.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 103 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_313435278.pdb -s /var/tmp/to_scwrl_313435278.seq -o /var/tmp/from_scwrl_313435278.pdb > /var/tmp/scwrl_313435278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_313435278.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 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_63032703.pdb -s /var/tmp/to_scwrl_63032703.seq -o /var/tmp/from_scwrl_63032703.pdb > /var/tmp/scwrl_63032703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63032703.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_141917564.pdb -s /var/tmp/to_scwrl_141917564.seq -o /var/tmp/from_scwrl_141917564.pdb > /var/tmp/scwrl_141917564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_141917564.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_789297671.pdb -s /var/tmp/to_scwrl_789297671.seq -o /var/tmp/from_scwrl_789297671.pdb > /var/tmp/scwrl_789297671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789297671.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_822769199.pdb -s /var/tmp/to_scwrl_822769199.seq -o /var/tmp/from_scwrl_822769199.pdb > /var/tmp/scwrl_822769199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822769199.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1359070015.pdb -s /var/tmp/to_scwrl_1359070015.seq -o /var/tmp/from_scwrl_1359070015.pdb > /var/tmp/scwrl_1359070015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1359070015.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_801360085.pdb -s /var/tmp/to_scwrl_801360085.seq -o /var/tmp/from_scwrl_801360085.pdb > /var/tmp/scwrl_801360085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801360085.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 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_2072839005.pdb -s /var/tmp/to_scwrl_2072839005.seq -o /var/tmp/from_scwrl_2072839005.pdb > /var/tmp/scwrl_2072839005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072839005.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 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1277293951.pdb -s /var/tmp/to_scwrl_1277293951.seq -o /var/tmp/from_scwrl_1277293951.pdb > /var/tmp/scwrl_1277293951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277293951.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 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_198647776.pdb -s /var/tmp/to_scwrl_198647776.seq -o /var/tmp/from_scwrl_198647776.pdb > /var/tmp/scwrl_198647776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198647776.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 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_406363930.pdb -s /var/tmp/to_scwrl_406363930.seq -o /var/tmp/from_scwrl_406363930.pdb > /var/tmp/scwrl_406363930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406363930.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_933278865.pdb -s /var/tmp/to_scwrl_933278865.seq -o /var/tmp/from_scwrl_933278865.pdb > /var/tmp/scwrl_933278865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933278865.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: incomplete conformation T0308 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1393776696.pdb -s /var/tmp/to_scwrl_1393776696.seq -o /var/tmp/from_scwrl_1393776696.pdb > /var/tmp/scwrl_1393776696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393776696.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: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_46391240.pdb -s /var/tmp/to_scwrl_46391240.seq -o /var/tmp/from_scwrl_46391240.pdb > /var/tmp/scwrl_46391240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_46391240.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: incomplete conformation T0308 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1449299333.pdb -s /var/tmp/to_scwrl_1449299333.seq -o /var/tmp/from_scwrl_1449299333.pdb > /var/tmp/scwrl_1449299333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1449299333.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 T0308 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_714368378.pdb -s /var/tmp/to_scwrl_714368378.seq -o /var/tmp/from_scwrl_714368378.pdb > /var/tmp/scwrl_714368378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714368378.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 T0308 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1154081523.pdb -s /var/tmp/to_scwrl_1154081523.seq -o /var/tmp/from_scwrl_1154081523.pdb > /var/tmp/scwrl_1154081523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154081523.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 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1609151736.pdb -s /var/tmp/to_scwrl_1609151736.seq -o /var/tmp/from_scwrl_1609151736.pdb > /var/tmp/scwrl_1609151736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609151736.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 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 149 ; scwrl3 -i /var/tmp/to_scwrl_1221036503.pdb -s /var/tmp/to_scwrl_1221036503.seq -o /var/tmp/from_scwrl_1221036503.pdb > /var/tmp/scwrl_1221036503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1221036503.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 50.326 sec, elapsed time= 421.791 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 49.324 real_cost = -119.694 shub_TS1 costs 49.324 real_cost = -108.563 panther2_TS1-scwrl costs 59.287 real_cost = -110.329 panther2_TS1 costs 59.287 real_cost = -103.392 nFOLD_TS5-scwrl costs 64.327 real_cost = 5.220 nFOLD_TS5 costs 64.812 real_cost = 80.547 nFOLD_TS4-scwrl costs 57.920 real_cost = 12.095 nFOLD_TS4 costs 57.895 real_cost = 102.428 nFOLD_TS3-scwrl costs 58.794 real_cost = 30.552 nFOLD_TS3 costs 58.802 real_cost = 121.214 nFOLD_TS2-scwrl costs 58.422 real_cost = -4.764 nFOLD_TS2 costs 58.390 real_cost = 89.206 nFOLD_TS1-scwrl costs 55.257 real_cost = -48.311 nFOLD_TS1 costs 55.257 real_cost = 39.726 mGen-3D_TS1-scwrl costs 59.776 real_cost = -15.216 mGen-3D_TS1 costs 59.793 real_cost = 78.038 karypis.srv_TS5-scwrl costs 42.347 real_cost = -153.854 karypis.srv_TS5 costs 42.347 real_cost = -153.854 karypis.srv_TS4-scwrl costs 44.185 real_cost = -147.870 karypis.srv_TS4 costs 44.185 real_cost = -148.592 karypis.srv_TS3-scwrl costs 48.384 real_cost = -136.185 karypis.srv_TS3 costs 48.384 real_cost = -136.185 karypis.srv_TS2-scwrl costs 45.312 real_cost = -136.983 karypis.srv_TS2 costs 45.312 real_cost = -136.983 karypis.srv_TS1-scwrl costs 40.179 real_cost = -150.912 karypis.srv_TS1 costs 40.179 real_cost = -151.149 karypis.srv.4_TS5-scwrl costs 142.041 real_cost = 330.589 karypis.srv.4_TS5 costs 142.041 real_cost = 330.272 karypis.srv.4_TS3-scwrl costs 144.563 real_cost = 263.480 karypis.srv.4_TS3 costs 144.563 real_cost = 261.644 karypis.srv.4_TS2-scwrl costs 136.945 real_cost = 297.509 karypis.srv.4_TS2 costs 136.945 real_cost = 297.509 karypis.srv.4_TS1-scwrl costs 111.966 real_cost = 249.400 karypis.srv.4_TS1 costs 111.966 real_cost = 249.400 karypis.srv.2_TS5-scwrl costs 44.034 real_cost = -281.729 karypis.srv.2_TS5 costs 44.034 real_cost = -281.729 karypis.srv.2_TS4-scwrl costs 44.536 real_cost = -276.484 karypis.srv.2_TS4 costs 44.536 real_cost = -276.484 karypis.srv.2_TS3-scwrl costs 48.384 real_cost = -268.681 karypis.srv.2_TS3 costs 48.384 real_cost = -268.681 karypis.srv.2_TS2-scwrl costs 43.469 real_cost = -263.507 karypis.srv.2_TS2 costs 43.469 real_cost = -263.507 karypis.srv.2_TS1-scwrl costs 46.954 real_cost = -269.042 karypis.srv.2_TS1 costs 46.954 real_cost = -269.042 gtg_AL5-scwrl costs 69.368 real_cost = 27.167 gtg_AL5 costs 69.362 real_cost = 122.846 gtg_AL4-scwrl costs 64.237 real_cost = -5.185 gtg_AL4 costs 64.232 real_cost = 117.425 gtg_AL3-scwrl costs 55.694 real_cost = -20.063 gtg_AL3 costs 55.711 real_cost = 91.590 gtg_AL2-scwrl costs 58.895 real_cost = -30.129 gtg_AL2 costs 58.889 real_cost = 81.793 gtg_AL1-scwrl costs 54.354 real_cost = -11.812 gtg_AL1 costs 54.348 real_cost = 105.004 forecast-s_AL5-scwrl costs 66.478 real_cost = 34.611 forecast-s_AL5 costs 66.542 real_cost = 130.170 forecast-s_AL4-scwrl costs 57.749 real_cost = -25.104 forecast-s_AL4 costs 57.753 real_cost = 95.049 forecast-s_AL3-scwrl costs 53.237 real_cost = -66.593 forecast-s_AL3 costs 53.237 real_cost = 53.544 forecast-s_AL2-scwrl costs 63.261 real_cost = -16.694 forecast-s_AL2 costs 63.177 real_cost = 86.455 forecast-s_AL1-scwrl costs 58.043 real_cost = -32.451 forecast-s_AL1 costs 58.056 real_cost = 90.610 beautshotbase_TS1-scwrl costs 49.043 real_cost = -143.842 beautshotbase_TS1 costs 49.043 real_cost = -135.004 beautshot_TS1-scwrl costs 53.938 real_cost = -146.130 beautshot_TS1 costs 53.938 real_cost = -136.634 Zhang-Server_TS5-scwrl costs 72.682 real_cost = -28.345 Zhang-Server_TS5 costs 72.682 real_cost = -18.160 Zhang-Server_TS4-scwrl costs 64.882 real_cost = -134.771 Zhang-Server_TS4 costs 64.882 real_cost = -128.823 Zhang-Server_TS3-scwrl costs 42.856 real_cost = -232.907 Zhang-Server_TS3 costs 42.856 real_cost = -238.183 Zhang-Server_TS2-scwrl costs 45.280 real_cost = -235.271 Zhang-Server_TS2 costs 45.280 real_cost = -228.893 Zhang-Server_TS1-scwrl costs 46.278 real_cost = -240.133 Zhang-Server_TS1 costs 46.278 real_cost = -229.189 UNI-EID_sfst_AL5-scwrl costs 54.615 real_cost = -123.347 UNI-EID_sfst_AL5 costs 54.615 real_cost = 1.381 UNI-EID_sfst_AL4-scwrl costs 50.695 real_cost = -219.246 UNI-EID_sfst_AL4 costs 50.695 real_cost = -101.238 UNI-EID_sfst_AL3-scwrl costs 50.619 real_cost = -131.409 UNI-EID_sfst_AL3 costs 50.619 real_cost = -0.684 UNI-EID_sfst_AL2-scwrl costs 55.193 real_cost = -212.871 UNI-EID_sfst_AL2 costs 55.193 real_cost = -100.610 UNI-EID_sfst_AL1-scwrl costs 53.214 real_cost = -277.763 UNI-EID_sfst_AL1 costs 53.214 real_cost = -163.360 UNI-EID_expm_TS1-scwrl costs 86.715 real_cost = -142.925 UNI-EID_expm_TS1 costs 86.715 real_cost = -150.317 UNI-EID_bnmx_TS5-scwrl costs 54.615 real_cost = -123.347 UNI-EID_bnmx_TS5 costs 54.615 real_cost = 1.381 UNI-EID_bnmx_TS4-scwrl costs 50.695 real_cost = -219.246 UNI-EID_bnmx_TS4 costs 50.695 real_cost = -101.238 UNI-EID_bnmx_TS3-scwrl costs 50.619 real_cost = -131.409 UNI-EID_bnmx_TS3 costs 50.619 real_cost = -0.684 UNI-EID_bnmx_TS2-scwrl costs 55.193 real_cost = -212.871 UNI-EID_bnmx_TS2 costs 55.193 real_cost = -100.610 UNI-EID_bnmx_TS1-scwrl costs 53.214 real_cost = -277.763 UNI-EID_bnmx_TS1 costs 53.214 real_cost = -163.360 SPARKS2_TS5-scwrl costs 52.801 real_cost = -118.770 SPARKS2_TS5 costs 52.801 real_cost = -106.593 SPARKS2_TS4-scwrl costs 50.369 real_cost = -131.606 SPARKS2_TS4 costs 50.369 real_cost = -122.156 SPARKS2_TS3-scwrl costs 47.950 real_cost = -138.388 SPARKS2_TS3 costs 47.950 real_cost = -125.972 SPARKS2_TS2-scwrl costs 42.624 real_cost = -140.716 SPARKS2_TS2 costs 42.624 real_cost = -138.219 SPARKS2_TS1-scwrl costs 43.122 real_cost = -226.687 SPARKS2_TS1 costs 43.122 real_cost = -216.888 SP4_TS5-scwrl costs 53.463 real_cost = -96.328 SP4_TS5 costs 53.463 real_cost = -89.002 SP4_TS4-scwrl costs 52.210 real_cost = -121.771 SP4_TS4 costs 52.210 real_cost = -113.425 SP4_TS3-scwrl costs 49.508 real_cost = -132.521 SP4_TS3 costs 49.508 real_cost = -121.440 SP4_TS2-scwrl costs 42.624 real_cost = -140.716 SP4_TS2 costs 42.624 real_cost = -138.219 SP4_TS1-scwrl costs 43.122 real_cost = -226.687 SP4_TS1 costs 43.122 real_cost = -216.888 SP3_TS5-scwrl costs 51.462 real_cost = -118.649 SP3_TS5 costs 51.462 real_cost = -121.099 SP3_TS4-scwrl costs 52.505 real_cost = -120.234 SP3_TS4 costs 52.505 real_cost = -110.882 SP3_TS3-scwrl costs 47.950 real_cost = -138.388 SP3_TS3 costs 47.950 real_cost = -125.972 SP3_TS2-scwrl costs 42.624 real_cost = -140.716 SP3_TS2 costs 42.624 real_cost = -138.219 SP3_TS1-scwrl costs 43.122 real_cost = -226.687 SP3_TS1 costs 43.122 real_cost = -216.888 SAM_T06_server_TS5-scwrl costs 58.198 real_cost = -90.082 SAM_T06_server_TS5 costs 58.126 real_cost = -95.048 SAM_T06_server_TS4-scwrl costs 62.489 real_cost = 34.814 SAM_T06_server_TS4 costs 62.163 real_cost = 16.093 SAM_T06_server_TS3-scwrl costs 72.000 real_cost = 59.349 SAM_T06_server_TS3 costs 71.617 real_cost = -4.561 SAM_T06_server_TS2-scwrl costs 63.942 real_cost = -175.023 SAM_T06_server_TS2 costs 63.902 real_cost = -210.716 SAM_T06_server_TS1-scwrl costs 70.399 real_cost = -264.868 SAM_T06_server_TS1 costs 70.399 real_cost = -265.642 SAM-T99_AL5-scwrl costs 50.598 real_cost = -138.559 SAM-T99_AL5 costs 50.598 real_cost = -15.635 SAM-T99_AL4-scwrl costs 46.561 real_cost = -141.223 SAM-T99_AL4 costs 46.561 real_cost = -14.092 SAM-T99_AL3-scwrl costs 58.465 real_cost = -103.521 SAM-T99_AL3 costs 58.465 real_cost = 22.336 SAM-T99_AL2-scwrl costs 59.734 real_cost = -34.397 SAM-T99_AL2 costs 59.724 real_cost = 83.309 SAM-T99_AL1-scwrl costs 63.493 real_cost = 29.986 SAM-T99_AL1 costs 63.753 real_cost = 121.634 SAM-T02_AL5-scwrl costs 49.122 real_cost = -268.984 SAM-T02_AL5 costs 49.122 real_cost = -149.102 SAM-T02_AL4-scwrl costs 52.919 real_cost = -129.013 SAM-T02_AL4 costs 52.919 real_cost = 2.679 SAM-T02_AL3-scwrl costs 57.292 real_cost = -85.248 SAM-T02_AL3 costs 57.333 real_cost = 25.293 SAM-T02_AL2-scwrl costs 43.224 real_cost = -133.162 SAM-T02_AL2 costs 43.224 real_cost = -3.636 SAM-T02_AL1-scwrl costs 48.888 real_cost = -277.456 SAM-T02_AL1 costs 48.888 real_cost = -161.786 ROKKY_TS5-scwrl costs 49.853 real_cost = -127.407 ROKKY_TS5 costs 49.853 real_cost = -118.741 ROKKY_TS4-scwrl costs 44.513 real_cost = -281.908 ROKKY_TS4 costs 44.513 real_cost = -271.616 ROKKY_TS3-scwrl costs 55.050 real_cost = -26.944 ROKKY_TS3 costs 55.050 real_cost = -11.032 ROKKY_TS2-scwrl costs 40.170 real_cost = -159.755 ROKKY_TS2 costs 40.170 real_cost = -160.136 ROKKY_TS1-scwrl costs 52.196 real_cost = -129.952 ROKKY_TS1 costs 52.196 real_cost = -119.112 ROBETTA_TS5-scwrl costs 51.530 real_cost = -135.367 ROBETTA_TS5 costs 51.530 real_cost = -128.166 ROBETTA_TS4-scwrl costs 51.741 real_cost = -137.660 ROBETTA_TS4 costs 51.741 real_cost = -129.170 ROBETTA_TS3-scwrl costs 55.397 real_cost = -129.080 ROBETTA_TS3 costs 55.397 real_cost = -124.059 ROBETTA_TS2-scwrl costs 49.623 real_cost = -136.888 ROBETTA_TS2 costs 49.623 real_cost = -130.812 ROBETTA_TS1-scwrl costs 52.254 real_cost = -143.675 ROBETTA_TS1 costs 52.254 real_cost = -140.454 RAPTOR_TS5-scwrl costs 49.255 real_cost = -129.435 RAPTOR_TS5 costs 49.255 real_cost = -121.723 RAPTOR_TS4-scwrl costs 48.266 real_cost = -124.961 RAPTOR_TS4 costs 48.266 real_cost = -119.097 RAPTOR_TS3-scwrl costs 49.160 real_cost = -156.029 RAPTOR_TS3 costs 49.160 real_cost = -149.157 RAPTOR_TS2-scwrl costs 49.146 real_cost = -130.779 RAPTOR_TS2 costs 49.146 real_cost = -126.586 RAPTOR_TS1-scwrl costs 42.442 real_cost = -142.699 RAPTOR_TS1 costs 42.442 real_cost = -139.880 RAPTORESS_TS5-scwrl costs 57.061 real_cost = -116.221 RAPTORESS_TS5 costs 57.061 real_cost = -113.008 RAPTORESS_TS4-scwrl costs 54.806 real_cost = -116.417 RAPTORESS_TS4 costs 54.806 real_cost = -107.218 RAPTORESS_TS3-scwrl costs 55.584 real_cost = -137.535 RAPTORESS_TS3 costs 55.584 real_cost = -129.602 RAPTORESS_TS2-scwrl costs 59.392 real_cost = -113.997 RAPTORESS_TS2 costs 59.392 real_cost = -108.174 RAPTORESS_TS1-scwrl costs 51.434 real_cost = -138.966 RAPTORESS_TS1 costs 51.434 real_cost = -132.373 RAPTOR-ACE_TS5-scwrl costs 45.672 real_cost = -267.161 RAPTOR-ACE_TS5 costs 45.672 real_cost = -259.629 RAPTOR-ACE_TS4-scwrl costs 43.568 real_cost = -143.748 RAPTOR-ACE_TS4 costs 43.568 real_cost = -138.782 RAPTOR-ACE_TS3-scwrl costs 48.250 real_cost = -133.068 RAPTOR-ACE_TS3 costs 48.250 real_cost = -120.788 RAPTOR-ACE_TS2-scwrl costs 42.624 real_cost = -140.716 RAPTOR-ACE_TS2 costs 42.624 real_cost = -138.219 RAPTOR-ACE_TS1-scwrl costs 40.827 real_cost = -145.539 RAPTOR-ACE_TS1 costs 40.827 real_cost = -139.461 Pmodeller6_TS5-scwrl costs 40.045 real_cost = -205.400 Pmodeller6_TS5 costs 40.045 real_cost = -205.243 Pmodeller6_TS4-scwrl costs 44.516 real_cost = -103.338 Pmodeller6_TS4 costs 44.516 real_cost = -91.161 Pmodeller6_TS3-scwrl costs 44.516 real_cost = -103.338 Pmodeller6_TS3 costs 44.516 real_cost = -91.161 Pmodeller6_TS2-scwrl costs 46.901 real_cost = -208.343 Pmodeller6_TS2 costs 46.901 real_cost = -204.600 Pmodeller6_TS1-scwrl costs 45.130 real_cost = -101.271 Pmodeller6_TS1 costs 45.130 real_cost = -89.111 Phyre-2_TS5-scwrl costs 46.759 real_cost = -140.287 Phyre-2_TS5 costs 46.759 real_cost = -140.595 Phyre-2_TS4-scwrl costs 46.759 real_cost = -140.287 Phyre-2_TS4 costs 46.759 real_cost = -140.595 Phyre-2_TS3-scwrl costs 46.759 real_cost = -140.287 Phyre-2_TS3 costs 46.759 real_cost = -140.595 Phyre-2_TS2-scwrl costs 46.759 real_cost = -140.287 Phyre-2_TS2 costs 46.759 real_cost = -140.595 Phyre-2_TS1-scwrl costs 48.643 real_cost = -132.053 Phyre-2_TS1 costs 48.643 real_cost = -130.523 Phyre-1_TS1-scwrl costs 42.661 real_cost = -144.321 Phyre-1_TS1 costs 42.661 real_cost = -144.233 Pcons6_TS5-scwrl costs 42.959 real_cost = -182.261 Pcons6_TS5 costs 42.959 real_cost = -182.676 Pcons6_TS4-scwrl costs 42.290 real_cost = -208.422 Pcons6_TS4 costs 42.290 real_cost = -203.054 Pcons6_TS3-scwrl costs 43.205 real_cost = -179.675 Pcons6_TS3 costs 43.205 real_cost = -179.732 Pcons6_TS2-scwrl costs 40.045 real_cost = -205.400 Pcons6_TS2 costs 40.045 real_cost = -205.243 Pcons6_TS1-scwrl costs 46.901 real_cost = -208.343 Pcons6_TS1 costs 46.901 real_cost = -204.600 PROTINFO_TS5-scwrl costs 51.474 real_cost = -276.377 PROTINFO_TS5 costs 51.474 real_cost = -278.888 PROTINFO_TS4-scwrl costs 51.051 real_cost = -268.259 PROTINFO_TS4 costs 51.051 real_cost = -275.057 PROTINFO_TS3-scwrl costs 51.793 real_cost = -249.418 PROTINFO_TS3 costs 51.793 real_cost = -256.231 PROTINFO_TS2-scwrl costs 51.954 real_cost = -266.388 PROTINFO_TS2 costs 51.954 real_cost = -260.851 PROTINFO_TS1-scwrl costs 50.356 real_cost = -278.502 PROTINFO_TS1 costs 50.356 real_cost = -268.579 PROTINFO-AB_TS5-scwrl costs 54.517 real_cost = -255.960 PROTINFO-AB_TS5 costs 54.517 real_cost = -257.651 PROTINFO-AB_TS4-scwrl costs 50.148 real_cost = -261.435 PROTINFO-AB_TS4 costs 50.148 real_cost = -258.354 PROTINFO-AB_TS3-scwrl costs 51.723 real_cost = -261.760 PROTINFO-AB_TS3 costs 51.723 real_cost = -262.107 PROTINFO-AB_TS2-scwrl costs 53.054 real_cost = -260.419 PROTINFO-AB_TS2 costs 53.054 real_cost = -260.180 PROTINFO-AB_TS1-scwrl costs 51.954 real_cost = -266.388 PROTINFO-AB_TS1 costs 51.954 real_cost = -260.851 NN_PUT_lab_TS1-scwrl costs 43.122 real_cost = -226.687 NN_PUT_lab_TS1 costs 43.122 real_cost = -216.888 MetaTasser_TS1-scwrl costs 61.279 real_cost = -138.132 MetaTasser_TS1 costs 61.279 real_cost = -126.359 Ma-OPUS-server_TS5-scwrl costs 48.831 real_cost = -73.140 Ma-OPUS-server_TS5 costs 48.831 real_cost = -66.511 Ma-OPUS-server_TS4-scwrl costs 52.908 real_cost = -169.849 Ma-OPUS-server_TS4 costs 52.908 real_cost = -161.234 Ma-OPUS-server_TS3-scwrl costs 50.451 real_cost = -116.854 Ma-OPUS-server_TS3 costs 50.451 real_cost = -99.504 Ma-OPUS-server_TS2-scwrl costs 40.660 real_cost = -145.276 Ma-OPUS-server_TS2 costs 40.660 real_cost = -141.320 Ma-OPUS-server_TS1-scwrl costs 43.821 real_cost = -226.610 Ma-OPUS-server_TS1 costs 43.821 real_cost = -217.015 LOOPP_TS5-scwrl costs 56.290 real_cost = -101.894 LOOPP_TS5 costs 56.290 real_cost = -98.074 LOOPP_TS4-scwrl costs 60.893 real_cost = -236.286 LOOPP_TS4 costs 60.893 real_cost = -229.272 LOOPP_TS3-scwrl costs 62.585 real_cost = -93.467 LOOPP_TS3 costs 62.585 real_cost = -87.473 LOOPP_TS2-scwrl costs 52.086 real_cost = -247.625 LOOPP_TS2 costs 52.086 real_cost = -240.433 LOOPP_TS1-scwrl costs 57.902 real_cost = -63.363 LOOPP_TS1 costs 57.902 real_cost = -52.625 Huber-Torda-Server_TS5-scwrl costs 48.815 real_cost = -135.810 Huber-Torda-Server_TS5 costs 48.815 real_cost = -37.795 Huber-Torda-Server_TS4-scwrl costs 55.387 real_cost = -123.102 Huber-Torda-Server_TS4 costs 55.465 real_cost = -37.529 Huber-Torda-Server_TS3-scwrl costs 54.370 real_cost = -235.199 Huber-Torda-Server_TS3 costs 54.370 real_cost = -138.023 Huber-Torda-Server_TS2-scwrl costs 53.563 real_cost = -115.042 Huber-Torda-Server_TS2 costs 53.563 real_cost = -19.608 Huber-Torda-Server_TS1-scwrl costs 50.824 real_cost = -127.697 Huber-Torda-Server_TS1 costs 50.824 real_cost = -24.316 HHpred3_TS1-scwrl costs 40.253 real_cost = -265.923 HHpred3_TS1 costs 40.253 real_cost = -263.550 HHpred2_TS1-scwrl costs 42.944 real_cost = -260.439 HHpred2_TS1 costs 42.944 real_cost = -251.816 HHpred1_TS1-scwrl costs 43.580 real_cost = -128.838 HHpred1_TS1 costs 43.580 real_cost = -124.668 GeneSilicoMetaServer_TS5-scwrl costs 47.620 real_cost = -137.882 GeneSilicoMetaServer_TS5 costs 47.620 real_cost = -131.521 GeneSilicoMetaServer_TS4-scwrl costs 45.164 real_cost = -290.201 GeneSilicoMetaServer_TS4 costs 45.164 real_cost = -283.530 GeneSilicoMetaServer_TS3-scwrl costs 47.377 real_cost = -248.858 GeneSilicoMetaServer_TS3 costs 47.377 real_cost = -239.764 GeneSilicoMetaServer_TS2-scwrl costs 47.520 real_cost = -243.023 GeneSilicoMetaServer_TS2 costs 47.520 real_cost = -232.616 GeneSilicoMetaServer_TS1-scwrl costs 43.462 real_cost = -273.035 GeneSilicoMetaServer_TS1 costs 43.462 real_cost = -270.199 FUNCTION_TS5-scwrl costs 55.991 real_cost = -127.797 FUNCTION_TS5 costs 55.991 real_cost = -125.521 FUNCTION_TS4-scwrl costs 54.301 real_cost = -124.549 FUNCTION_TS4 costs 54.301 real_cost = -118.130 FUNCTION_TS3-scwrl costs 57.493 real_cost = -125.519 FUNCTION_TS3 costs 57.493 real_cost = -118.531 FUNCTION_TS2-scwrl costs 57.776 real_cost = -126.195 FUNCTION_TS2 costs 57.776 real_cost = -112.853 FUNCTION_TS1-scwrl costs 56.786 real_cost = -115.843 FUNCTION_TS1 costs 56.786 real_cost = -112.340 FUGUE_AL5-scwrl costs 91.323 real_cost = 214.918 FUGUE_AL5 costs 91.331 real_cost = 302.428 FUGUE_AL4-scwrl costs 81.852 real_cost = 116.844 FUGUE_AL4 costs 81.820 real_cost = 210.551 FUGUE_AL3-scwrl costs 75.211 real_cost = 43.948 FUGUE_AL3 costs 75.139 real_cost = 154.810 FUGUE_AL2-scwrl costs 76.184 real_cost = 56.208 FUGUE_AL2 costs 76.212 real_cost = 185.372 FUGUE_AL1-scwrl costs 54.968 real_cost = -221.287 FUGUE_AL1 costs 54.968 real_cost = -110.457 FUGMOD_TS5-scwrl costs 84.254 real_cost = 143.273 FUGMOD_TS5 costs 84.254 real_cost = 141.875 FUGMOD_TS4-scwrl costs 59.092 real_cost = -15.807 FUGMOD_TS4 costs 59.092 real_cost = -8.552 FUGMOD_TS3-scwrl costs 69.110 real_cost = 30.457 FUGMOD_TS3 costs 69.110 real_cost = 31.999 FUGMOD_TS2-scwrl costs 77.849 real_cost = 46.805 FUGMOD_TS2 costs 77.849 real_cost = 47.633 FUGMOD_TS1-scwrl costs 48.149 real_cost = -217.409 FUGMOD_TS1 costs 48.149 real_cost = -218.147 FPSOLVER-SERVER_TS5-scwrl costs 150.770 real_cost = 326.033 FPSOLVER-SERVER_TS5 costs 150.770 real_cost = 331.248 FPSOLVER-SERVER_TS4-scwrl costs 145.669 real_cost = 345.806 FPSOLVER-SERVER_TS4 costs 145.669 real_cost = 348.411 FPSOLVER-SERVER_TS3-scwrl costs 155.078 real_cost = 348.082 FPSOLVER-SERVER_TS3 costs 155.078 real_cost = 349.444 FPSOLVER-SERVER_TS2-scwrl costs 139.748 real_cost = 357.600 FPSOLVER-SERVER_TS2 costs 139.748 real_cost = 358.748 FPSOLVER-SERVER_TS1-scwrl costs 142.666 real_cost = 305.738 FPSOLVER-SERVER_TS1 costs 142.666 real_cost = 310.424 FORTE2_AL5-scwrl costs 69.353 real_cost = 97.808 FORTE2_AL5 costs 69.317 real_cost = 225.264 FORTE2_AL4-scwrl costs 93.408 real_cost = 255.789 FORTE2_AL4 costs 93.456 real_cost = 379.436 FORTE2_AL3-scwrl costs 68.324 real_cost = -3.325 FORTE2_AL3 costs 68.586 real_cost = 100.537 FORTE2_AL2-scwrl costs 47.171 real_cost = -128.721 FORTE2_AL2 costs 47.171 real_cost = -6.974 FORTE2_AL1-scwrl costs 54.633 real_cost = 1.811 FORTE2_AL1 costs 54.669 real_cost = 122.042 FORTE1_AL5-scwrl costs 65.344 real_cost = -22.668 FORTE1_AL5 costs 65.606 real_cost = 82.070 FORTE1_AL4-scwrl costs 52.769 real_cost = -3.496 FORTE1_AL4 costs 52.764 real_cost = 120.497 FORTE1_AL3-scwrl costs 57.242 real_cost = -8.886 FORTE1_AL3 costs 57.238 real_cost = 112.907 FORTE1_AL2-scwrl costs 55.391 real_cost = -1.772 FORTE1_AL2 costs 55.382 real_cost = 117.706 FORTE1_AL1-scwrl costs 47.352 real_cost = -131.782 FORTE1_AL1 costs 47.352 real_cost = -10.272 FOLDpro_TS5-scwrl costs 84.811 real_cost = 76.073 FOLDpro_TS5 costs 84.811 real_cost = 83.723 FOLDpro_TS4-scwrl costs 108.766 real_cost = 193.690 FOLDpro_TS4 costs 108.766 real_cost = 199.125 FOLDpro_TS3-scwrl costs 83.153 real_cost = 82.096 FOLDpro_TS3 costs 83.153 real_cost = 89.524 FOLDpro_TS2-scwrl costs 61.199 real_cost = -96.292 FOLDpro_TS2 costs 61.199 real_cost = -89.053 FOLDpro_TS1-scwrl costs 42.195 real_cost = -294.553 FOLDpro_TS1 costs 42.195 real_cost = -288.946 FAMS_TS5-scwrl costs 50.406 real_cost = -126.059 FAMS_TS5 costs 50.406 real_cost = -121.444 FAMS_TS4-scwrl costs 54.301 real_cost = -124.549 FAMS_TS4 costs 54.301 real_cost = -118.130 FAMS_TS3-scwrl costs 60.930 real_cost = -126.934 FAMS_TS3 costs 60.930 real_cost = -125.639 FAMS_TS2-scwrl costs 55.991 real_cost = -127.797 FAMS_TS2 costs 55.991 real_cost = -125.521 FAMS_TS1-scwrl costs 54.033 real_cost = -135.004 FAMS_TS1 costs 54.033 real_cost = -130.640 FAMSD_TS5-scwrl costs 47.730 real_cost = -126.545 FAMSD_TS5 costs 47.730 real_cost = -122.494 FAMSD_TS4-scwrl costs 48.830 real_cost = -107.595 FAMSD_TS4 costs 48.830 real_cost = -99.416 FAMSD_TS3-scwrl costs 52.073 real_cost = -128.837 FAMSD_TS3 costs 52.073 real_cost = -117.247 FAMSD_TS2-scwrl costs 50.406 real_cost = -126.059 FAMSD_TS2 costs 50.406 real_cost = -121.444 FAMSD_TS1-scwrl costs 50.189 real_cost = -130.050 FAMSD_TS1 costs 50.189 real_cost = -127.384 Distill_TS5-scwrl costs 234.677 real_cost = 220.426 Distill_TS4-scwrl costs 231.542 real_cost = 210.417 Distill_TS3-scwrl costs 229.590 real_cost = 220.536 Distill_TS2-scwrl costs 234.956 real_cost = 213.825 Distill_TS1-scwrl costs 230.353 real_cost = 216.399 CaspIta-FOX_TS5-scwrl costs 44.041 real_cost = -135.158 CaspIta-FOX_TS5 costs 44.041 real_cost = -137.295 CaspIta-FOX_TS4-scwrl costs 45.226 real_cost = -139.581 CaspIta-FOX_TS4 costs 45.226 real_cost = -136.042 CaspIta-FOX_TS3-scwrl costs 49.831 real_cost = -255.716 CaspIta-FOX_TS3 costs 49.831 real_cost = -254.079 CaspIta-FOX_TS2-scwrl costs 50.128 real_cost = -132.976 CaspIta-FOX_TS2 costs 50.128 real_cost = -134.369 CaspIta-FOX_TS1-scwrl costs 48.141 real_cost = -136.692 CaspIta-FOX_TS1 costs 48.141 real_cost = -131.200 CPHmodels_TS1-scwrl costs 60.736 real_cost = -122.264 CPHmodels_TS1 costs 60.736 real_cost = -118.469 CIRCLE_TS5-scwrl costs 60.930 real_cost = -126.934 CIRCLE_TS5 costs 60.930 real_cost = -125.639 CIRCLE_TS4-scwrl costs 52.073 real_cost = -128.837 CIRCLE_TS4 costs 52.073 real_cost = -117.247 CIRCLE_TS3-scwrl costs 51.457 real_cost = -124.221 CIRCLE_TS3 costs 51.457 real_cost = -119.149 CIRCLE_TS2-scwrl costs 55.991 real_cost = -127.797 CIRCLE_TS2 costs 55.991 real_cost = -125.521 CIRCLE_TS1-scwrl costs 53.117 real_cost = -125.027 CIRCLE_TS1 costs 53.117 real_cost = -115.447 Bilab-ENABLE_TS5-scwrl costs 46.232 real_cost = -91.391 Bilab-ENABLE_TS5 costs 46.232 real_cost = -91.702 Bilab-ENABLE_TS4-scwrl costs 50.372 real_cost = -74.860 Bilab-ENABLE_TS4 costs 50.372 real_cost = -74.879 Bilab-ENABLE_TS3-scwrl costs 70.314 real_cost = 25.336 Bilab-ENABLE_TS3 costs 70.314 real_cost = 24.740 Bilab-ENABLE_TS2-scwrl costs 45.802 real_cost = -52.932 Bilab-ENABLE_TS2 costs 45.802 real_cost = -52.932 Bilab-ENABLE_TS1-scwrl costs 48.357 real_cost = -225.725 Bilab-ENABLE_TS1 costs 48.357 real_cost = -225.725 BayesHH_TS1-scwrl costs 42.045 real_cost = -267.727 BayesHH_TS1 costs 42.045 real_cost = -266.221 ABIpro_TS5-scwrl costs 63.917 real_cost = 256.813 ABIpro_TS5 costs 63.917 real_cost = 256.983 ABIpro_TS4-scwrl costs 74.356 real_cost = 224.306 ABIpro_TS4 costs 74.356 real_cost = 224.306 ABIpro_TS3-scwrl costs 71.378 real_cost = 183.841 ABIpro_TS3 costs 71.378 real_cost = 183.841 ABIpro_TS2-scwrl costs 63.034 real_cost = 226.504 ABIpro_TS2 costs 63.034 real_cost = 226.511 ABIpro_TS1-scwrl costs 77.532 real_cost = 231.371 ABIpro_TS1 costs 77.532 real_cost = 233.141 3Dpro_TS5-scwrl costs 67.593 real_cost = -2.181 3Dpro_TS5 costs 67.593 real_cost = -9.608 3Dpro_TS4-scwrl costs 90.311 real_cost = 218.799 3Dpro_TS4 costs 90.311 real_cost = 224.040 3Dpro_TS3-scwrl costs 87.864 real_cost = 157.351 3Dpro_TS3 costs 87.864 real_cost = 168.676 3Dpro_TS2-scwrl costs 72.974 real_cost = 14.818 3Dpro_TS2 costs 72.974 real_cost = 28.532 3Dpro_TS1-scwrl costs 43.791 real_cost = -177.434 3Dpro_TS1 costs 43.791 real_cost = -166.937 3D-JIGSAW_TS5-scwrl costs 58.002 real_cost = -94.754 3D-JIGSAW_TS5 costs 58.002 real_cost = -79.029 3D-JIGSAW_TS4-scwrl costs 55.213 real_cost = -124.462 3D-JIGSAW_TS4 costs 55.213 real_cost = -107.013 3D-JIGSAW_TS3-scwrl costs 53.845 real_cost = -144.531 3D-JIGSAW_TS3 costs 53.845 real_cost = -131.279 3D-JIGSAW_TS2-scwrl costs 48.101 real_cost = -131.439 3D-JIGSAW_TS2 costs 48.101 real_cost = -127.586 3D-JIGSAW_TS1-scwrl costs 52.188 real_cost = -113.607 3D-JIGSAW_TS1 costs 52.188 real_cost = -99.766 3D-JIGSAW_RECOM_TS5-scwrl costs 52.489 real_cost = -121.535 3D-JIGSAW_RECOM_TS5 costs 52.489 real_cost = -108.774 3D-JIGSAW_RECOM_TS4-scwrl costs 54.175 real_cost = -137.560 3D-JIGSAW_RECOM_TS4 costs 54.175 real_cost = -132.675 3D-JIGSAW_RECOM_TS3-scwrl costs 54.001 real_cost = -125.371 3D-JIGSAW_RECOM_TS3 costs 54.001 real_cost = -126.355 3D-JIGSAW_RECOM_TS2-scwrl costs 51.117 real_cost = -134.533 3D-JIGSAW_RECOM_TS2 costs 51.117 real_cost = -130.585 3D-JIGSAW_RECOM_TS1-scwrl costs 56.360 real_cost = -123.981 3D-JIGSAW_RECOM_TS1 costs 56.360 real_cost = -120.673 3D-JIGSAW_POPULUS_TS5-scwrl costs 50.760 real_cost = -113.969 3D-JIGSAW_POPULUS_TS5 costs 50.760 real_cost = -113.970 3D-JIGSAW_POPULUS_TS4-scwrl costs 48.949 real_cost = -113.638 3D-JIGSAW_POPULUS_TS4 costs 48.949 real_cost = -113.638 3D-JIGSAW_POPULUS_TS3-scwrl costs 51.880 real_cost = -101.377 3D-JIGSAW_POPULUS_TS3 costs 51.880 real_cost = -101.396 3D-JIGSAW_POPULUS_TS2-scwrl costs 51.671 real_cost = -97.681 3D-JIGSAW_POPULUS_TS2 costs 51.671 real_cost = -98.504 3D-JIGSAW_POPULUS_TS1-scwrl costs 51.269 real_cost = -99.825 3D-JIGSAW_POPULUS_TS1 costs 51.269 real_cost = -101.021 dimer//dimer-try1-1o3yA.repack-nonPC costs 64.362 real_cost = -260.668 dimer//dimer-try1-1o3yA costs 64.362 real_cost = -261.394 dimer//dimer-from-try5-opt2-1o3yA.repack-nonPC costs 71.071 real_cost = -261.819 dimer//dimer-from-try5-opt2-1o3yA costs 71.071 real_cost = -259.976 dimer//dimer-from-try4-opt2-1o3yA.repack-nonPC costs 52.730 real_cost = -283.120 dimer//dimer-from-try4-opt2-1o3yA costs 52.730 real_cost = -281.778 dimer//dimer-from-try3-opt2-1o3yA.repack-nonPC costs 71.687 real_cost = -259.669 dimer//dimer-from-try3-opt2-1o3yA costs 71.687 real_cost = -255.595 dimer//dimer-from-try1-opt1-1o3yA.repack-nonPC costs 60.824 real_cost = -260.817 dimer//dimer-from-try1-opt1-1o3yA costs 60.824 real_cost = -263.370 dimer//try9-opt2.gromacs0 costs 60.036 real_cost = -261.036 dimer//try10-opt2 costs 60.036 real_cost = -261.635 dimer//try10-opt2.gromacs0 costs 53.659 real_cost = -245.261 dimer//try10-opt1 costs 59.940 real_cost = -262.640 dimer//try10-opt1-scwrl costs 59.940 real_cost = -264.941 dimer//dimer-try9-opt2 costs 53.530 real_cost = -283.989 dimer//dimer-try9-opt1 costs 53.706 real_cost = -284.749 dimer//dimer-try9-opt1-scwrl costs 53.706 real_cost = -279.039 dimer//dimer-try8-opt2.repack-nonPC costs 67.359 real_cost = -262.449 dimer//dimer-try8-opt2 costs 67.359 real_cost = -257.535 dimer//dimer-try8-opt1 costs 67.882 real_cost = -257.623 dimer//dimer-try8-opt1-scwrl costs 67.882 real_cost = -264.809 dimer//dimer-try7-opt2.repack-nonPC costs 60.322 real_cost = -259.651 dimer//dimer-try7-opt2 costs 60.322 real_cost = -261.556 dimer//dimer-try7-opt1 costs 64.113 real_cost = -261.499 dimer//dimer-try7-opt1-scwrl costs 64.113 real_cost = -263.218 dimer//dimer-try6-opt2.repack-nonPC costs 59.342 real_cost = -259.009 dimer//dimer-try6-opt2 costs 59.342 real_cost = -266.603 dimer//dimer-try6-opt1 costs 58.099 real_cost = -262.185 dimer//dimer-try6-opt1-scwrl costs 58.099 real_cost = -263.658 dimer//dimer-try5-opt2.repack-nonPC costs 67.570 real_cost = -260.574 dimer//dimer-try5-opt2 costs 67.570 real_cost = -256.164 dimer//dimer-try5-opt1 costs 70.533 real_cost = -255.633 dimer//dimer-try5-opt1-scwrl costs 70.533 real_cost = -261.682 dimer//dimer-try4-opt2.repack-nonPC costs 53.706 real_cost = -280.368 dimer//dimer-try4-opt2 costs 53.706 real_cost = -283.259 dimer//dimer-try4-opt1 costs 52.730 real_cost = -282.581 dimer//dimer-try4-opt1-scwrl costs 52.730 real_cost = -277.920 dimer//dimer-try2-opt2.repack-nonPC costs 64.840 real_cost = -263.082 dimer//dimer-try2-opt2 costs 64.840 real_cost = -260.212 dimer//dimer-try2-opt1 costs 65.278 real_cost = -259.227 dimer//dimer-try2-opt1-scwrl costs 65.278 real_cost = -265.811 dimer//dimer-try1-opt1 costs 47.125 real_cost = -210.459 dimer//dimer-try1-opt1-scwrl costs 47.125 real_cost = -207.540 dimer//dimer-t5o2-try1-opt2.repack-nonPC costs 67.571 real_cost = -260.442 dimer//dimer-t5o2-try1-opt2 costs 67.571 real_cost = -257.321 dimer//dimer-t5o2-try1-opt1 costs 67.037 real_cost = -260.027 dimer//dimer-t5o2-try1-opt1-scwrl costs 67.037 real_cost = -263.889 3mer//try2-opt2.unpack costs 64.578 real_cost = -259.896 3mer//try2-opt2.reversed costs 64.578 real_cost = -259.896 3mer//try2-opt2.repack-nonPC costs 64.578 real_cost = -263.102 3mer//try2-opt2 costs 64.578 real_cost = -259.896 3mer//try2-opt2.gromacs0 costs 53.461 real_cost = -231.094 3mer//try2-opt2.CAB costs 64.578 real_cost = -259.896 3mer//try2-opt2.BAC costs 64.578 real_cost = -259.896 3mer//try2-opt1 costs 65.393 real_cost = -259.346 3mer//try2-opt1-scwrl costs 65.393 real_cost = -265.759 3mer//try1-opt2.unpack costs 65.438 real_cost = -259.581 3mer//try1-opt2.repack-nonPC costs 65.438 real_cost = -263.514 3mer//try1-opt2 costs 65.438 real_cost = -259.581 3mer//try1-opt2.gromacs0 costs 54.003 real_cost = -234.026 3mer//try1-opt1 costs 65.393 real_cost = -259.956 3mer//try1-opt1-scwrl costs 65.393 real_cost = -265.813 3mer//3mer-try1-model costs 71.230 real_cost = -259.933 tr308.pdb.gz costs 48.174 real_cost = -287.611 tr308-scwrl.pdb.gz costs 48.174 real_cost = -300.964 chimera-9-4.pdb.gz costs 62.602 real_cost = -289.289 T0308.try9-opt2.repack-nonPC.pdb.gz costs 66.358 real_cost = -301.548 T0308.try9-opt2.pdb.gz costs 66.358 real_cost = -306.875 T0308.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.497 real_cost = -305.256 T0308.try9-opt2.gromacs0.pdb.gz costs 46.497 real_cost = -308.020 T0308.try9-opt1.pdb.gz costs 66.369 real_cost = -304.367 T0308.try9-opt1-scwrl.pdb.gz costs 66.369 real_cost = -300.620 T0308.try8-opt2.repack-nonPC.pdb.gz costs 68.934 real_cost = -299.883 T0308.try8-opt2.pdb.gz costs 68.934 real_cost = -303.343 T0308.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.068 real_cost = -297.279 T0308.try8-opt2.gromacs0.pdb.gz costs 46.068 real_cost = -301.492 T0308.try8-opt1.pdb.gz costs 64.683 real_cost = -301.943 T0308.try8-opt1-scwrl.pdb.gz costs 64.683 real_cost = -308.372 T0308.try7-opt2.repack-nonPC.pdb.gz costs 66.369 real_cost = -305.580 T0308.try7-opt2.pdb.gz costs 66.369 real_cost = -305.657 T0308.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.785 real_cost = -308.071 T0308.try7-opt2.gromacs0.pdb.gz costs 46.785 real_cost = -307.672 T0308.try7-opt1.pdb.gz costs 64.067 real_cost = -305.391 T0308.try7-opt1-scwrl.pdb.gz costs 64.067 real_cost = -303.006 T0308.try6-opt2.repack-nonPC.pdb.gz costs 63.334 real_cost = -302.363 T0308.try6-opt2.pdb.gz costs 63.334 real_cost = -305.761 T0308.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.883 real_cost = -303.796 T0308.try6-opt2.gromacs0.pdb.gz costs 46.883 real_cost = -305.790 T0308.try6-opt1.pdb.gz costs 65.190 real_cost = -304.541 T0308.try6-opt1-scwrl.pdb.gz costs 65.190 real_cost = -303.893 T0308.try5-opt2.repack-nonPC.pdb.gz costs 71.230 real_cost = -262.401 T0308.try5-opt2.pdb.gz costs 71.230 real_cost = -260.134 T0308.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.947 real_cost = -260.095 T0308.try5-opt2.gromacs0.pdb.gz costs 50.947 real_cost = -259.028 T0308.try5-opt1.pdb.gz costs 71.188 real_cost = -260.337 T0308.try5-opt1-scwrl.pdb.gz costs 71.188 real_cost = -266.632 T0308.try4-opt2.repack-nonPC.pdb.gz costs 53.231 real_cost = -284.926 T0308.try4-opt2.pdb.gz costs 53.231 real_cost = -281.954 T0308.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.028 real_cost = -287.357 T0308.try4-opt2.gromacs0.pdb.gz costs 48.028 real_cost = -280.594 T0308.try4-opt1.pdb.gz costs 55.037 real_cost = -278.579 T0308.try4-opt1-scwrl.pdb.gz costs 55.037 real_cost = -278.856 T0308.try3-opt2.repack-nonPC.pdb.gz costs 71.687 real_cost = -256.936 T0308.try3-opt2.pdb.gz costs 71.687 real_cost = -255.609 T0308.try3-opt2.gromacs0.pdb.gz costs 51.269 real_cost = -254.065 T0308.try3-opt1.pdb.gz costs 71.242 real_cost = -257.720 T0308.try3-opt1-scwrl.pdb.gz costs 71.242 real_cost = -261.262 T0308.try2-chimera-opt2.pdb.gz costs 70.906 real_cost = -259.504 T0308.try2-chimera-opt1.pdb.gz costs 63.603 real_cost = -259.605 T0308.try2-chimera-opt1-scwrl.pdb.gz costs 63.603 real_cost = -262.468 T0308.try12-opt2.repack-nonPC.pdb.gz costs 58.823 real_cost = -292.211 T0308.try12-opt2.pdb.gz costs 58.823 real_cost = -298.140 T0308.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.043 real_cost = -297.430 T0308.try12-opt2.gromacs0.pdb.gz costs 47.043 real_cost = -296.158 T0308.try12-opt1.pdb.gz costs 60.558 real_cost = -295.480 T0308.try12-opt1-scwrl.pdb.gz costs 60.558 real_cost = -294.376 T0308.try11-opt2.repack-nonPC.pdb.gz costs 68.305 real_cost = -287.254 T0308.try11-opt2.pdb.gz costs 68.305 real_cost = -288.884 T0308.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.174 real_cost = -286.542 T0308.try11-opt2.gromacs0.pdb.gz costs 49.174 real_cost = -288.369 T0308.try11-opt1.pdb.gz costs 69.565 real_cost = -292.814 T0308.try11-opt1-scwrl.pdb.gz costs 69.565 real_cost = -294.036 T0308.try10-opt2.repack-nonPC.pdb.gz costs 74.221 real_cost = -293.992 T0308.try10-opt2.pdb.gz costs 74.221 real_cost = -294.388 T0308.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.773 real_cost = -295.970 T0308.try10-opt2.gromacs0.pdb.gz costs 47.773 real_cost = -292.327 T0308.try10-opt1.pdb.gz costs 69.497 real_cost = -292.564 T0308.try10-opt1-scwrl.pdb.gz costs 69.497 real_cost = -291.884 T0308.try1-opt2.repack-nonPC.pdb.gz costs 64.362 real_cost = -259.953 T0308.try1-opt2.pdb.gz costs 64.362 real_cost = -261.381 T0308.try1-opt2.gromacs0.pdb.gz costs 50.734 real_cost = -257.863 T0308.try1-opt2-chimera-D120-H142-mod16.pdb.gz costs 66.958 real_cost = -154.215 T0308.try1-opt1.pdb.gz costs 60.824 real_cost = -263.373 T0308.try1-opt1-scwrl.pdb.gz costs 60.824 real_cost = -263.472 ../refine.model5.ts-submitted costs 66.369 real_cost = -305.674 ../refine.model4.ts-submitted costs 47.043 real_cost = -297.641 ../refine.model3.ts-submitted costs 73.239 real_cost = -294.407 ../refine.model2.ts-submitted costs 46.883 real_cost = -303.780 ../refine.model1.ts-submitted costs 66.358 real_cost = -306.738 ../model5.ts-submitted costs 73.130 real_cost = -1.018 ../model4.ts-submitted costs 64.362 real_cost = -261.392 ../model3.ts-submitted costs 53.231 real_cost = -281.450 ../model2.ts-submitted costs 71.687 real_cost = -255.581 ../model1.ts-submitted costs 70.660 real_cost = -259.790 align5 costs 66.886 real_cost = -23.556 align4 costs 56.450 real_cost = -77.194 align3 costs 62.479 real_cost = -185.721 align2 costs 63.300 real_cost = -21.722 align1 costs 71.268 real_cost = -30.807 T0308.try1-opt2.pdb costs 64.362 real_cost = -261.381 model5-scwrl costs 73.516 real_cost = 68.186 model5.ts-submitted costs 73.130 real_cost = -1.018 model4-scwrl costs 64.362 real_cost = -264.741 model4.ts-submitted costs 64.362 real_cost = -261.392 model3-scwrl costs 53.231 real_cost = -278.490 model3.ts-submitted costs 53.231 real_cost = -281.450 model2-scwrl costs 71.687 real_cost = -260.704 model2.ts-submitted costs 71.687 real_cost = -255.581 model1-scwrl costs 71.230 real_cost = -263.751 model1.ts-submitted costs 70.660 real_cost = -259.790 2h57A costs 38.765 real_cost = -885.800 # command:CPU_time= 1054.654 sec, elapsed time= 1426.492 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/T0308'