make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0370' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0370.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/T0370.} ;\ 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/T0370/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2iabA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183568450 # 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= 9.280 sec, elapsed time= 18.984 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= 9.397 sec, elapsed time= 19.303 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0370 numbered 1 through 154 Created new target T0370 from T0370.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2iabA expands to /projects/compbio/data/pdb/2iab.pdb.gz 2iabA:Skipped atom 61, because occupancy 0.5 <= existing 0.500 in 2iabA Skipped atom 63, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 65, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 67, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 69, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 71, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 73, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 75, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 77, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 631, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 635, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 637, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 639, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 641, because occupancy 0.500 <= existing 0.500 in 2iabA Skipped atom 643, because occupancy 0.500 <= existing 0.500 in 2iabA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 153 residues and 1166 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0370 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= 16.703 sec, elapsed time= 34.532 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 149 # 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 = -60.197 # GDT_score(maxd=8.000,maxw=2.900)= -62.604 # GDT_score(maxd=8.000,maxw=3.200)= -59.650 # GDT_score(maxd=8.000,maxw=3.500)= -56.592 # GDT_score(maxd=10.000,maxw=3.800)= -59.356 # GDT_score(maxd=10.000,maxw=4.000)= -57.317 # GDT_score(maxd=10.000,maxw=4.200)= -55.339 # GDT_score(maxd=12.000,maxw=4.300)= -58.918 # GDT_score(maxd=12.000,maxw=4.500)= -56.990 # GDT_score(maxd=12.000,maxw=4.700)= -55.164 # GDT_score(maxd=14.000,maxw=5.200)= -54.404 # GDT_score(maxd=14.000,maxw=5.500)= -51.957 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0370.model1-real.pdb for output Error: Couldn't open file T0370.model1-real.pdb for output superimposing iter= 0 total_weight= 1768.000 rmsd (weighted)= 8.111 (unweighted)= 18.161 superimposing iter= 1 total_weight= 4649.700 rmsd (weighted)= 3.290 (unweighted)= 18.427 superimposing iter= 2 total_weight= 2560.483 rmsd (weighted)= 2.094 (unweighted)= 18.603 superimposing iter= 3 total_weight= 1616.402 rmsd (weighted)= 1.731 (unweighted)= 18.698 superimposing iter= 4 total_weight= 1468.604 rmsd (weighted)= 1.514 (unweighted)= 18.750 superimposing iter= 5 total_weight= 1399.239 rmsd (weighted)= 1.363 (unweighted)= 18.781 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 16.584 13.318 82.350 1.00 0.00 ATOM 2 CA MET A 1 16.005 13.103 83.671 1.00 0.00 ATOM 3 CB MET A 1 16.284 14.289 84.564 1.00 0.00 ATOM 4 CG MET A 1 15.546 14.219 85.880 1.00 0.00 ATOM 5 SD MET A 1 16.133 15.462 87.020 1.00 0.00 ATOM 6 CE MET A 1 17.737 14.790 87.427 1.00 0.00 ATOM 7 O MET A 1 13.988 13.859 82.645 1.00 0.00 ATOM 8 C MET A 1 14.492 13.243 83.605 1.00 0.00 ATOM 9 N THR A 2 13.791 12.655 84.597 1.00 0.00 ATOM 10 CA THR A 2 12.321 12.639 84.608 1.00 0.00 ATOM 11 CB THR A 2 11.759 11.282 85.027 1.00 0.00 ATOM 12 CG2 THR A 2 12.264 10.126 84.210 1.00 0.00 ATOM 13 OG1 THR A 2 12.029 11.127 86.407 1.00 0.00 ATOM 14 O THR A 2 10.497 13.848 85.542 1.00 0.00 ATOM 15 C THR A 2 11.724 13.731 85.452 1.00 0.00 ATOM 16 N THR A 3 12.565 14.505 86.125 1.00 0.00 ATOM 17 CA THR A 3 12.127 15.716 86.827 1.00 0.00 ATOM 18 CB THR A 3 12.107 15.509 88.352 1.00 0.00 ATOM 19 CG2 THR A 3 11.317 14.252 88.700 1.00 0.00 ATOM 20 OG1 THR A 3 13.416 15.350 88.916 1.00 0.00 ATOM 21 O THR A 3 14.105 16.559 85.785 1.00 0.00 ATOM 22 C THR A 3 13.058 16.833 86.369 1.00 0.00 ATOM 23 N PRO A 4 12.695 18.083 86.613 1.00 0.00 ATOM 24 CA PRO A 4 13.546 19.196 86.200 1.00 0.00 ATOM 25 CB PRO A 4 12.717 20.409 86.513 1.00 0.00 ATOM 26 CG PRO A 4 11.842 19.965 87.644 1.00 0.00 ATOM 27 CD PRO A 4 11.397 18.586 87.192 1.00 0.00 ATOM 28 O PRO A 4 14.750 18.621 88.170 1.00 0.00 ATOM 29 C PRO A 4 14.724 19.315 87.145 1.00 0.00 ATOM 30 N PRO A 5 15.726 20.105 86.781 1.00 0.00 ATOM 31 CA PRO A 5 16.892 20.263 87.646 1.00 0.00 ATOM 32 CB PRO A 5 17.679 21.376 86.955 1.00 0.00 ATOM 33 CG PRO A 5 17.342 21.188 85.524 1.00 0.00 ATOM 34 CD PRO A 5 15.863 20.892 85.541 1.00 0.00 ATOM 35 O PRO A 5 15.529 21.479 89.181 1.00 0.00 ATOM 36 C PRO A 5 16.429 20.651 89.037 1.00 0.00 ATOM 37 N ALA A 6 17.050 20.067 90.054 1.00 0.00 ATOM 38 CA ALA A 6 16.673 20.364 91.423 1.00 0.00 ATOM 39 CB ALA A 6 17.428 19.469 92.386 1.00 0.00 ATOM 40 O ALA A 6 17.904 22.399 91.166 1.00 0.00 ATOM 41 C ALA A 6 16.956 21.831 91.705 1.00 0.00 ATOM 42 N ARG A 7 16.157 22.428 92.574 1.00 0.00 ATOM 43 CA ARG A 7 16.362 23.819 92.968 1.00 0.00 ATOM 44 CB ARG A 7 15.266 24.256 93.952 1.00 0.00 ATOM 45 CG ARG A 7 15.272 25.754 94.278 1.00 0.00 ATOM 46 CD ARG A 7 14.244 26.097 95.363 1.00 0.00 ATOM 47 NE ARG A 7 12.880 25.717 94.976 1.00 0.00 ATOM 48 CZ ARG A 7 12.137 26.366 94.084 1.00 0.00 ATOM 49 NH1 ARG A 7 12.609 27.448 93.480 1.00 0.00 ATOM 50 NH2 ARG A 7 10.922 25.930 93.780 1.00 0.00 ATOM 51 O ARG A 7 18.513 24.854 93.225 1.00 0.00 ATOM 52 C ARG A 7 17.745 23.970 93.601 1.00 0.00 ATOM 53 N THR A 8 18.073 23.102 94.552 1.00 0.00 ATOM 54 CA THR A 8 19.367 23.158 95.211 1.00 0.00 ATOM 55 CB THR A 8 19.433 22.137 96.374 1.00 0.00 ATOM 56 CG2 THR A 8 20.809 22.156 96.994 1.00 0.00 ATOM 57 OG1 THR A 8 18.459 22.508 97.350 1.00 0.00 ATOM 58 O THR A 8 21.547 23.567 94.273 1.00 0.00 ATOM 59 C THR A 8 20.494 22.921 94.206 1.00 0.00 ATOM 60 N ALA A 9 20.296 21.955 93.316 1.00 0.00 ATOM 61 CA ALA A 9 21.304 21.631 92.310 1.00 0.00 ATOM 62 CB ALA A 9 20.792 20.449 91.476 1.00 0.00 ATOM 63 O ALA A 9 22.702 23.156 91.107 1.00 0.00 ATOM 64 C ALA A 9 21.557 22.839 91.415 1.00 0.00 ATOM 65 N LYS A 10 20.486 23.517 91.014 1.00 0.00 ATOM 66 CA LYS A 10 20.618 24.687 90.149 1.00 0.00 ATOM 67 CB LYS A 10 19.259 25.240 89.764 1.00 0.00 ATOM 68 CG LYS A 10 18.490 24.350 88.779 1.00 0.00 ATOM 69 CD LYS A 10 17.152 25.000 88.472 1.00 0.00 ATOM 70 CE LYS A 10 16.300 24.150 87.532 1.00 0.00 ATOM 71 NZ LYS A 10 14.854 24.419 87.774 1.00 0.00 ATOM 72 O LYS A 10 22.268 26.422 90.258 1.00 0.00 ATOM 73 C LYS A 10 21.405 25.785 90.858 1.00 0.00 ATOM 74 N GLN A 11 21.097 26.005 92.134 1.00 0.00 ATOM 75 CA GLN A 11 21.794 27.020 92.921 1.00 0.00 ATOM 76 CB GLN A 11 21.096 27.185 94.269 1.00 0.00 ATOM 77 CG GLN A 11 19.771 27.943 94.168 1.00 0.00 ATOM 78 CD GLN A 11 19.095 27.865 95.526 1.00 0.00 ATOM 79 OE1 GLN A 11 18.040 27.244 95.708 1.00 0.00 ATOM 80 NE2 GLN A 11 19.765 28.482 96.493 1.00 0.00 ATOM 81 O GLN A 11 24.141 27.479 92.941 1.00 0.00 ATOM 82 C GLN A 11 23.264 26.636 93.076 1.00 0.00 ATOM 83 N ARG A 12 23.529 25.365 93.326 1.00 0.00 ATOM 84 CA ARG A 12 24.895 24.885 93.501 1.00 0.00 ATOM 85 CB ARG A 12 24.809 23.222 93.381 1.00 0.00 ATOM 86 CG ARG A 12 25.962 22.335 93.920 1.00 0.00 ATOM 87 CD ARG A 12 26.004 20.941 93.282 1.00 0.00 ATOM 88 NE ARG A 12 24.771 20.187 93.519 1.00 0.00 ATOM 89 CZ ARG A 12 24.487 19.516 94.646 1.00 0.00 ATOM 90 NH1 ARG A 12 25.343 19.502 95.663 1.00 0.00 ATOM 91 NH2 ARG A 12 23.337 18.866 94.766 1.00 0.00 ATOM 92 O ARG A 12 26.851 25.444 92.229 1.00 0.00 ATOM 93 C ARG A 12 25.696 25.013 92.214 1.00 0.00 ATOM 94 N ILE A 13 25.067 24.639 91.105 1.00 0.00 ATOM 95 CA ILE A 13 25.690 24.720 89.791 1.00 0.00 ATOM 96 CB ILE A 13 24.783 24.106 88.699 1.00 0.00 ATOM 97 CG1 ILE A 13 24.496 22.637 89.017 1.00 0.00 ATOM 98 CG2 ILE A 13 25.442 24.264 87.325 1.00 0.00 ATOM 99 CD1 ILE A 13 25.719 21.786 89.123 1.00 0.00 ATOM 100 O ILE A 13 27.015 26.487 88.848 1.00 0.00 ATOM 101 C ILE A 13 25.981 26.180 89.438 1.00 0.00 ATOM 102 N GLN A 14 25.077 27.084 89.803 1.00 0.00 ATOM 103 CA GLN A 14 25.296 28.498 89.514 1.00 0.00 ATOM 104 CB GLN A 14 24.083 29.321 89.946 1.00 0.00 ATOM 105 CG GLN A 14 22.890 29.105 89.004 1.00 0.00 ATOM 106 CD GLN A 14 21.634 29.675 89.633 1.00 0.00 ATOM 107 OE1 GLN A 14 21.651 30.463 90.595 1.00 0.00 ATOM 108 NE2 GLN A 14 20.476 29.297 89.065 1.00 0.00 ATOM 109 O GLN A 14 27.364 29.711 89.662 1.00 0.00 ATOM 110 C GLN A 14 26.547 28.987 90.238 1.00 0.00 ATOM 111 N ASP A 15 26.678 28.612 91.508 1.00 0.00 ATOM 112 CA ASP A 15 27.835 29.013 92.302 1.00 0.00 ATOM 113 CB ASP A 15 27.698 28.588 93.742 1.00 0.00 ATOM 114 CG ASP A 15 28.872 29.028 94.587 1.00 0.00 ATOM 115 OD1 ASP A 15 29.012 30.247 94.831 1.00 0.00 ATOM 116 OD2 ASP A 15 29.673 28.158 95.002 1.00 0.00 ATOM 117 O ASP A 15 30.087 29.109 91.477 1.00 0.00 ATOM 118 C ASP A 15 29.088 28.418 91.671 1.00 0.00 ATOM 119 N THR A 16 29.029 27.117 91.300 1.00 0.00 ATOM 120 CA THR A 16 30.171 26.454 90.688 1.00 0.00 ATOM 121 CB THR A 16 29.904 24.943 90.553 1.00 0.00 ATOM 122 CG2 THR A 16 31.098 24.244 89.918 1.00 0.00 ATOM 123 OG1 THR A 16 29.670 24.378 91.847 1.00 0.00 ATOM 124 O THR A 16 31.583 27.208 88.901 1.00 0.00 ATOM 125 C THR A 16 30.437 27.016 89.295 1.00 0.00 ATOM 126 N LEU A 17 29.369 27.262 88.566 1.00 0.00 ATOM 127 CA LEU A 17 29.519 27.828 87.237 1.00 0.00 ATOM 128 CB LEU A 17 28.139 27.739 86.505 1.00 0.00 ATOM 129 CG LEU A 17 28.081 28.329 85.115 1.00 0.00 ATOM 130 CD1 LEU A 17 29.107 27.687 84.157 1.00 0.00 ATOM 131 CD2 LEU A 17 26.654 28.164 84.565 1.00 0.00 ATOM 132 O LEU A 17 30.892 29.574 86.328 1.00 0.00 ATOM 133 C LEU A 17 30.155 29.219 87.250 1.00 0.00 ATOM 134 N ASN A 18 29.872 29.993 88.290 1.00 0.00 ATOM 135 CA ASN A 18 30.424 31.341 88.413 1.00 0.00 ATOM 136 CB ASN A 18 29.953 32.048 89.660 1.00 0.00 ATOM 137 CG ASN A 18 30.555 33.434 89.803 1.00 0.00 ATOM 138 ND2 ASN A 18 30.100 34.365 88.974 1.00 0.00 ATOM 139 OD1 ASN A 18 31.431 33.659 90.638 1.00 0.00 ATOM 140 O ASN A 18 32.569 31.964 87.507 1.00 0.00 ATOM 141 C ASN A 18 31.949 31.280 88.321 1.00 0.00 ATOM 142 N ARG A 19 32.551 30.394 89.090 1.00 0.00 ATOM 143 CA ARG A 19 33.999 30.241 89.098 1.00 0.00 ATOM 144 CB ARG A 19 34.313 28.945 90.151 1.00 0.00 ATOM 145 CG ARG A 19 35.603 28.899 90.961 1.00 0.00 ATOM 146 CD ARG A 19 36.738 28.373 90.132 1.00 0.00 ATOM 147 NE ARG A 19 37.945 28.078 90.891 1.00 0.00 ATOM 148 CZ ARG A 19 39.084 27.701 90.342 1.00 0.00 ATOM 149 NH1 ARG A 19 39.226 27.559 89.037 1.00 0.00 ATOM 150 NH2 ARG A 19 40.118 27.443 91.137 1.00 0.00 ATOM 151 O ARG A 19 35.576 30.066 87.293 1.00 0.00 ATOM 152 C ARG A 19 34.558 29.617 87.815 1.00 0.00 ATOM 153 N LEU A 20 33.860 28.640 87.276 1.00 0.00 ATOM 154 CA LEU A 20 34.311 27.973 86.065 1.00 0.00 ATOM 155 CB LEU A 20 33.369 26.749 85.775 1.00 0.00 ATOM 156 CG LEU A 20 33.736 25.528 86.663 1.00 0.00 ATOM 157 CD1 LEU A 20 32.623 24.484 86.521 1.00 0.00 ATOM 158 CD2 LEU A 20 35.079 24.982 86.245 1.00 0.00 ATOM 159 O LEU A 20 34.996 28.376 83.802 1.00 0.00 ATOM 160 C LEU A 20 34.332 28.785 84.769 1.00 0.00 ATOM 161 N GLU A 21 33.563 29.853 84.720 1.00 0.00 ATOM 162 CA GLU A 21 33.380 30.637 83.500 1.00 0.00 ATOM 163 CB GLU A 21 32.405 31.773 83.825 1.00 0.00 ATOM 164 CG GLU A 21 30.945 31.304 84.101 1.00 0.00 ATOM 165 CD GLU A 21 30.100 32.399 84.622 1.00 0.00 ATOM 166 OE1 GLU A 21 30.577 33.422 85.226 1.00 0.00 ATOM 167 OE2 GLU A 21 28.835 32.271 84.509 1.00 0.00 ATOM 168 O GLU A 21 34.836 31.287 81.740 1.00 0.00 ATOM 169 C GLU A 21 34.659 31.225 82.959 1.00 0.00 ATOM 170 N LEU A 22 35.570 31.558 83.854 1.00 0.00 ATOM 171 CA LEU A 22 36.886 32.054 83.454 1.00 0.00 ATOM 172 CB LEU A 22 37.636 32.634 84.662 1.00 0.00 ATOM 173 CG LEU A 22 36.978 33.856 85.330 1.00 0.00 ATOM 174 CD1 LEU A 22 37.766 34.302 86.562 1.00 0.00 ATOM 175 CD2 LEU A 22 36.866 34.994 84.332 1.00 0.00 ATOM 176 O LEU A 22 38.394 31.232 81.767 1.00 0.00 ATOM 177 C LEU A 22 37.712 30.961 82.763 1.00 0.00 ATOM 178 N ASP A 23 37.602 29.709 83.228 1.00 0.00 ATOM 179 CA ASP A 23 38.293 28.608 82.629 1.00 0.00 ATOM 180 CB ASP A 23 39.281 28.070 83.821 1.00 0.00 ATOM 181 CG ASP A 23 40.138 26.901 83.392 1.00 0.00 ATOM 182 OD1 ASP A 23 41.125 27.120 82.660 1.00 0.00 ATOM 183 OD2 ASP A 23 39.807 25.759 83.776 1.00 0.00 ATOM 184 O ASP A 23 37.944 26.898 80.985 1.00 0.00 ATOM 185 C ASP A 23 37.428 27.630 81.834 1.00 0.00 ATOM 186 N VAL A 24 36.011 27.533 81.895 1.00 0.00 ATOM 187 CA VAL A 24 35.168 26.717 81.004 1.00 0.00 ATOM 188 CB VAL A 24 35.089 25.270 81.498 1.00 0.00 ATOM 189 CG1 VAL A 24 36.495 24.682 81.600 1.00 0.00 ATOM 190 CG2 VAL A 24 34.383 25.195 82.852 1.00 0.00 ATOM 191 O VAL A 24 33.447 28.172 81.840 1.00 0.00 ATOM 192 C VAL A 24 33.733 27.193 81.119 1.00 0.00 ATOM 193 N ASP A 25 32.842 26.475 80.476 1.00 0.00 ATOM 194 CA ASP A 25 31.401 26.777 80.497 1.00 0.00 ATOM 195 CB ASP A 25 30.981 27.154 79.089 1.00 0.00 ATOM 196 CG ASP A 25 29.581 27.746 79.009 1.00 0.00 ATOM 197 OD1 ASP A 25 28.798 27.596 79.987 1.00 0.00 ATOM 198 OD2 ASP A 25 29.228 28.400 77.999 1.00 0.00 ATOM 199 O ASP A 25 30.510 24.556 80.381 1.00 0.00 ATOM 200 C ASP A 25 30.676 25.535 81.121 1.00 0.00 ATOM 201 N ALA A 26 30.379 25.595 82.374 1.00 0.00 ATOM 202 CA ALA A 26 29.803 24.469 83.101 1.00 0.00 ATOM 203 CB ALA A 26 30.246 24.496 84.570 1.00 0.00 ATOM 204 O ALA A 26 27.607 25.464 83.021 1.00 0.00 ATOM 205 C ALA A 26 28.284 24.420 83.018 1.00 0.00 ATOM 206 N TRP A 27 27.643 23.163 82.935 1.00 0.00 ATOM 207 CA TRP A 27 26.193 22.943 82.860 1.00 0.00 ATOM 208 CB TRP A 27 25.776 22.928 81.384 1.00 0.00 ATOM 209 CG TRP A 27 26.551 21.957 80.547 1.00 0.00 ATOM 210 CD1 TRP A 27 27.733 22.195 79.908 1.00 0.00 ATOM 211 CD2 TRP A 27 26.226 20.582 80.298 1.00 0.00 ATOM 212 CE2 TRP A 27 27.262 20.049 79.497 1.00 0.00 ATOM 213 CE3 TRP A 27 25.167 19.751 80.674 1.00 0.00 ATOM 214 NE1 TRP A 27 28.165 21.054 79.276 1.00 0.00 ATOM 215 CZ2 TRP A 27 27.263 18.715 79.065 1.00 0.00 ATOM 216 CZ3 TRP A 27 25.169 18.422 80.245 1.00 0.00 ATOM 217 CH2 TRP A 27 26.211 17.922 79.449 1.00 0.00 ATOM 218 O TRP A 27 26.501 20.699 83.663 1.00 0.00 ATOM 219 C TRP A 27 25.793 21.709 83.666 1.00 0.00 ATOM 220 N VAL A 28 24.566 21.805 84.357 1.00 0.00 ATOM 221 CA VAL A 28 24.108 20.666 85.140 1.00 0.00 ATOM 222 CB VAL A 28 23.322 21.185 86.413 1.00 0.00 ATOM 223 CG1 VAL A 28 22.018 21.847 86.001 1.00 0.00 ATOM 224 CG2 VAL A 28 22.991 20.111 87.375 1.00 0.00 ATOM 225 O VAL A 28 22.432 20.138 83.515 1.00 0.00 ATOM 226 C VAL A 28 23.351 19.717 84.211 1.00 0.00 ATOM 227 N SER A 29 23.802 18.475 84.197 1.00 0.00 ATOM 228 CA SER A 29 23.206 17.474 83.307 1.00 0.00 ATOM 229 CB SER A 29 24.296 16.597 82.732 1.00 0.00 ATOM 230 OG SER A 29 23.710 15.598 81.917 1.00 0.00 ATOM 231 O SER A 29 22.846 16.011 85.170 1.00 0.00 ATOM 232 C SER A 29 22.357 16.566 84.185 1.00 0.00 ATOM 233 N THR A 30 21.111 16.442 83.825 1.00 0.00 ATOM 234 CA THR A 30 20.211 15.594 84.586 1.00 0.00 ATOM 235 CB THR A 30 19.006 16.380 85.179 1.00 0.00 ATOM 236 CG2 THR A 30 19.483 17.578 86.007 1.00 0.00 ATOM 237 OG1 THR A 30 18.194 16.837 84.090 1.00 0.00 ATOM 238 O THR A 30 19.445 14.534 82.572 1.00 0.00 ATOM 239 C THR A 30 19.863 14.388 83.730 1.00 0.00 ATOM 240 N ALA A 31 20.005 13.207 84.320 1.00 0.00 ATOM 241 CA ALA A 31 19.670 11.949 83.662 1.00 0.00 ATOM 242 CB ALA A 31 20.935 11.130 83.459 1.00 0.00 ATOM 243 O ALA A 31 18.430 11.726 85.724 1.00 0.00 ATOM 244 C ALA A 31 18.675 11.250 84.603 1.00 0.00 ATOM 245 N GLY A 32 18.124 10.123 84.169 1.00 0.00 ATOM 246 CA GLY A 32 17.132 9.388 84.948 1.00 0.00 ATOM 247 O GLY A 32 17.786 7.287 83.980 1.00 0.00 ATOM 248 C GLY A 32 17.465 7.897 85.009 1.00 0.00 ATOM 249 N ALA A 33 17.459 7.314 86.205 1.00 0.00 ATOM 250 CA ALA A 33 17.780 5.894 86.291 1.00 0.00 ATOM 251 CB ALA A 33 18.209 5.522 87.658 1.00 0.00 ATOM 252 O ALA A 33 15.549 5.549 85.512 1.00 0.00 ATOM 253 C ALA A 33 16.578 5.025 85.921 1.00 0.00 ATOM 254 N ASP A 34 16.721 3.705 86.029 1.00 0.00 ATOM 255 CA ASP A 34 15.649 2.764 85.674 1.00 0.00 ATOM 256 CB ASP A 34 16.103 1.289 85.882 1.00 0.00 ATOM 257 CG ASP A 34 16.112 0.852 87.351 1.00 0.00 ATOM 258 OD1 ASP A 34 15.917 1.678 88.271 1.00 0.00 ATOM 259 OD2 ASP A 34 16.326 -0.354 87.583 1.00 0.00 ATOM 260 O ASP A 34 13.326 2.429 86.177 1.00 0.00 ATOM 261 C ASP A 34 14.416 2.843 86.573 1.00 0.00 ATOM 262 N GLY A 35 14.541 3.401 87.780 1.00 0.00 ATOM 263 CA GLY A 35 13.424 3.527 88.696 1.00 0.00 ATOM 264 O GLY A 35 11.828 5.168 89.387 1.00 0.00 ATOM 265 C GLY A 35 12.724 4.869 88.597 1.00 0.00 ATOM 266 N GLY A 36 13.071 5.686 87.611 1.00 0.00 ATOM 267 CA GLY A 36 12.456 6.987 87.426 1.00 0.00 ATOM 268 O GLY A 36 12.639 9.122 88.427 1.00 0.00 ATOM 269 C GLY A 36 13.152 8.014 88.311 1.00 0.00 ATOM 270 N ALA A 37 14.357 7.657 88.918 1.00 0.00 ATOM 271 CA ALA A 37 15.057 8.587 89.820 1.00 0.00 ATOM 272 CB ALA A 37 15.942 7.726 90.709 1.00 0.00 ATOM 273 O ALA A 37 16.863 9.175 88.347 1.00 0.00 ATOM 274 C ALA A 37 15.973 9.572 89.075 1.00 0.00 ATOM 275 N PRO A 38 15.746 10.873 89.229 1.00 0.00 ATOM 276 CA PRO A 38 16.652 11.780 88.506 1.00 0.00 ATOM 277 CB PRO A 38 16.152 13.066 89.133 1.00 0.00 ATOM 278 CG PRO A 38 15.108 12.813 90.158 1.00 0.00 ATOM 279 CD PRO A 38 14.464 11.505 89.783 1.00 0.00 ATOM 280 O PRO A 38 18.082 11.663 90.466 1.00 0.00 ATOM 281 C PRO A 38 18.002 11.836 89.227 1.00 0.00 ATOM 282 N TYR A 39 19.068 12.096 88.441 1.00 0.00 ATOM 283 CA TYR A 39 20.432 12.305 88.927 1.00 0.00 ATOM 284 CB TYR A 39 21.324 11.138 88.623 1.00 0.00 ATOM 285 CG TYR A 39 20.911 9.821 89.173 1.00 0.00 ATOM 286 CD1 TYR A 39 19.788 9.151 88.725 1.00 0.00 ATOM 287 CD2 TYR A 39 21.571 9.308 90.269 1.00 0.00 ATOM 288 CE1 TYR A 39 19.402 7.962 89.289 1.00 0.00 ATOM 289 CE2 TYR A 39 21.182 8.127 90.855 1.00 0.00 ATOM 290 CZ TYR A 39 20.123 7.447 90.352 1.00 0.00 ATOM 291 OH TYR A 39 19.765 6.277 90.986 1.00 0.00 ATOM 292 O TYR A 39 20.736 13.832 87.106 1.00 0.00 ATOM 293 C TYR A 39 21.029 13.549 88.277 1.00 0.00 ATOM 294 N LEU A 40 21.905 14.250 88.999 1.00 0.00 ATOM 295 CA LEU A 40 22.525 15.460 88.462 1.00 0.00 ATOM 296 CB LEU A 40 21.438 16.610 88.527 1.00 0.00 ATOM 297 CG LEU A 40 21.108 17.157 89.919 1.00 0.00 ATOM 298 CD1 LEU A 40 22.156 18.160 90.362 1.00 0.00 ATOM 299 CD2 LEU A 40 19.723 17.817 89.888 1.00 0.00 ATOM 300 O LEU A 40 24.394 15.567 89.991 1.00 0.00 ATOM 301 C LEU A 40 23.982 15.714 88.812 1.00 0.00 ATOM 302 N VAL A 41 24.740 16.000 87.672 1.00 0.00 ATOM 303 CA VAL A 41 26.130 16.365 87.902 1.00 0.00 ATOM 304 CB VAL A 41 27.079 15.066 87.740 1.00 0.00 ATOM 305 CG1 VAL A 41 26.617 13.986 88.704 1.00 0.00 ATOM 306 CG2 VAL A 41 27.029 14.457 86.346 1.00 0.00 ATOM 307 O VAL A 41 25.889 17.518 85.827 1.00 0.00 ATOM 308 C VAL A 41 26.498 17.423 86.894 1.00 0.00 ATOM 309 N PRO A 42 27.504 18.220 87.234 1.00 0.00 ATOM 310 CA PRO A 42 27.958 19.249 86.316 1.00 0.00 ATOM 311 CB PRO A 42 28.825 20.136 87.185 1.00 0.00 ATOM 312 CG PRO A 42 29.202 19.289 88.352 1.00 0.00 ATOM 313 CD PRO A 42 28.005 18.421 88.617 1.00 0.00 ATOM 314 O PRO A 42 29.838 17.894 85.639 1.00 0.00 ATOM 315 C PRO A 42 28.965 18.712 85.298 1.00 0.00 ATOM 316 N LEU A 43 28.873 19.237 84.071 1.00 0.00 ATOM 317 CA LEU A 43 29.846 18.911 83.042 1.00 0.00 ATOM 318 CB LEU A 43 29.291 17.855 82.083 1.00 0.00 ATOM 319 CG LEU A 43 28.936 16.499 82.694 1.00 0.00 ATOM 320 CD1 LEU A 43 28.133 15.659 81.717 1.00 0.00 ATOM 321 CD2 LEU A 43 30.199 15.732 83.058 1.00 0.00 ATOM 322 O LEU A 43 29.524 21.184 82.400 1.00 0.00 ATOM 323 C LEU A 43 30.183 20.157 82.255 1.00 0.00 ATOM 324 N SER A 44 31.220 20.093 81.460 1.00 0.00 ATOM 325 CA SER A 44 31.606 21.229 80.642 1.00 0.00 ATOM 326 CB SER A 44 32.839 21.920 81.185 1.00 0.00 ATOM 327 OG SER A 44 33.983 21.084 81.109 1.00 0.00 ATOM 328 O SER A 44 31.988 19.417 79.127 1.00 0.00 ATOM 329 C SER A 44 31.802 20.638 79.250 1.00 0.00 ATOM 330 N TYR A 45 31.715 21.532 78.229 1.00 0.00 ATOM 331 CA TYR A 45 31.835 21.114 76.845 1.00 0.00 ATOM 332 CB TYR A 45 30.616 21.566 76.223 1.00 0.00 ATOM 333 CG TYR A 45 29.810 22.812 76.538 1.00 0.00 ATOM 334 CD1 TYR A 45 30.313 23.847 77.338 1.00 0.00 ATOM 335 CD2 TYR A 45 28.527 22.945 76.008 1.00 0.00 ATOM 336 CE1 TYR A 45 29.534 24.993 77.592 1.00 0.00 ATOM 337 CE2 TYR A 45 27.746 24.071 76.252 1.00 0.00 ATOM 338 CZ TYR A 45 28.254 25.091 77.042 1.00 0.00 ATOM 339 OH TYR A 45 27.488 26.212 77.244 1.00 0.00 ATOM 340 O TYR A 45 32.748 23.052 75.818 1.00 0.00 ATOM 341 C TYR A 45 32.332 21.906 75.643 1.00 0.00 ATOM 342 N LEU A 46 31.967 21.314 74.249 1.00 0.00 ATOM 343 CA LEU A 46 32.025 22.029 72.984 1.00 0.00 ATOM 344 CB LEU A 46 32.589 21.148 71.915 1.00 0.00 ATOM 345 CG LEU A 46 32.932 21.981 70.687 1.00 0.00 ATOM 346 CD1 LEU A 46 34.106 22.892 71.016 1.00 0.00 ATOM 347 CD2 LEU A 46 33.256 21.065 69.518 1.00 0.00 ATOM 348 O LEU A 46 29.819 21.100 73.064 1.00 0.00 ATOM 349 C LEU A 46 30.587 21.887 72.513 1.00 0.00 ATOM 350 N TRP A 47 30.231 22.720 71.502 1.00 0.00 ATOM 351 CA TRP A 47 28.887 22.645 70.970 1.00 0.00 ATOM 352 CB TRP A 47 27.851 23.327 71.868 1.00 0.00 ATOM 353 CG TRP A 47 27.947 24.814 71.983 1.00 0.00 ATOM 354 CD1 TRP A 47 27.213 25.749 71.315 1.00 0.00 ATOM 355 CD2 TRP A 47 28.821 25.548 72.850 1.00 0.00 ATOM 356 CE2 TRP A 47 28.568 26.914 72.647 1.00 0.00 ATOM 357 CE3 TRP A 47 29.791 25.169 73.789 1.00 0.00 ATOM 358 NE1 TRP A 47 27.585 27.018 71.701 1.00 0.00 ATOM 359 CZ2 TRP A 47 29.264 27.900 73.334 1.00 0.00 ATOM 360 CZ3 TRP A 47 30.483 26.158 74.468 1.00 0.00 ATOM 361 CH2 TRP A 47 30.201 27.504 74.239 1.00 0.00 ATOM 362 O TRP A 47 29.509 24.140 69.201 1.00 0.00 ATOM 363 C TRP A 47 28.811 23.187 69.546 1.00 0.00 ATOM 364 N ASP A 48 27.771 22.562 68.813 1.00 0.00 ATOM 365 CA ASP A 48 27.485 23.085 67.478 1.00 0.00 ATOM 366 CB ASP A 48 28.552 22.622 66.483 1.00 0.00 ATOM 367 CG ASP A 48 28.552 21.118 66.290 1.00 0.00 ATOM 368 OD1 ASP A 48 27.574 20.463 66.710 1.00 0.00 ATOM 369 OD2 ASP A 48 29.529 20.593 65.715 1.00 0.00 ATOM 370 O ASP A 48 25.356 22.128 68.041 1.00 0.00 ATOM 371 C ASP A 48 26.075 22.612 67.160 1.00 0.00 ATOM 372 N GLY A 49 25.705 22.711 65.835 1.00 0.00 ATOM 373 CA GLY A 49 24.368 22.315 65.432 1.00 0.00 ATOM 374 O GLY A 49 23.001 20.530 66.193 1.00 0.00 ATOM 375 C GLY A 49 24.120 20.858 65.781 1.00 0.00 ATOM 376 N GLU A 50 25.099 19.963 65.646 1.00 0.00 ATOM 377 CA GLU A 50 24.913 18.569 65.907 1.00 0.00 ATOM 378 CB GLU A 50 26.073 17.841 65.086 1.00 0.00 ATOM 379 CG GLU A 50 25.759 17.497 63.624 1.00 0.00 ATOM 380 CD GLU A 50 25.728 18.705 62.701 1.00 0.00 ATOM 381 OE1 GLU A 50 25.477 18.508 61.491 1.00 0.00 ATOM 382 OE2 GLU A 50 25.957 19.840 63.170 1.00 0.00 ATOM 383 O GLU A 50 24.325 17.006 67.644 1.00 0.00 ATOM 384 C GLU A 50 24.642 18.157 67.334 1.00 0.00 ATOM 385 N THR A 51 24.778 19.168 68.307 1.00 0.00 ATOM 386 CA THR A 51 24.610 18.924 69.709 1.00 0.00 ATOM 387 CB THR A 51 24.932 17.446 70.098 1.00 0.00 ATOM 388 CG2 THR A 51 23.927 16.501 69.446 1.00 0.00 ATOM 389 OG1 THR A 51 26.210 17.136 69.542 1.00 0.00 ATOM 390 O THR A 51 26.464 20.338 70.264 1.00 0.00 ATOM 391 C THR A 51 25.617 19.533 70.663 1.00 0.00 ATOM 392 N PHE A 52 25.465 19.200 71.946 1.00 0.00 ATOM 393 CA PHE A 52 26.347 19.694 73.004 1.00 0.00 ATOM 394 CB PHE A 52 25.553 20.503 74.043 1.00 0.00 ATOM 395 CG PHE A 52 24.642 21.526 73.442 1.00 0.00 ATOM 396 CD1 PHE A 52 23.441 21.147 72.852 1.00 0.00 ATOM 397 CD2 PHE A 52 25.003 22.866 73.421 1.00 0.00 ATOM 398 CE1 PHE A 52 22.614 22.086 72.239 1.00 0.00 ATOM 399 CE2 PHE A 52 24.182 23.814 72.811 1.00 0.00 ATOM 400 CZ PHE A 52 22.989 23.419 72.219 1.00 0.00 ATOM 401 O PHE A 52 26.526 17.478 73.921 1.00 0.00 ATOM 402 C PHE A 52 27.116 18.505 73.565 1.00 0.00 ATOM 403 N LEU A 53 28.430 18.679 73.693 1.00 0.00 ATOM 404 CA LEU A 53 29.317 17.603 74.125 1.00 0.00 ATOM 405 CB LEU A 53 30.558 17.505 73.204 1.00 0.00 ATOM 406 CG LEU A 53 31.646 16.507 73.660 1.00 0.00 ATOM 407 CD1 LEU A 53 31.107 15.066 73.673 1.00 0.00 ATOM 408 CD2 LEU A 53 32.869 16.607 72.768 1.00 0.00 ATOM 409 O LEU A 53 30.355 18.765 75.963 1.00 0.00 ATOM 410 C LEU A 53 29.867 17.717 75.552 1.00 0.00 ATOM 411 N VAL A 54 29.873 16.539 76.218 1.00 0.00 ATOM 412 CA VAL A 54 30.467 16.443 77.543 1.00 0.00 ATOM 413 CB VAL A 54 29.407 16.217 78.624 1.00 0.00 ATOM 414 CG1 VAL A 54 28.577 14.952 78.364 1.00 0.00 ATOM 415 CG2 VAL A 54 30.090 16.175 79.976 1.00 0.00 ATOM 416 O VAL A 54 31.009 14.213 76.844 1.00 0.00 ATOM 417 C VAL A 54 31.265 15.139 77.613 1.00 0.00 ATOM 418 N ALA A 55 32.228 15.072 78.531 1.00 0.00 ATOM 419 CA ALA A 55 33.045 13.869 78.681 1.00 0.00 ATOM 420 CB ALA A 55 34.491 14.261 78.835 1.00 0.00 ATOM 421 O ALA A 55 32.482 14.033 81.000 1.00 0.00 ATOM 422 C ALA A 55 32.822 13.297 80.072 1.00 0.00 ATOM 423 N THR A 56 33.038 11.994 80.220 1.00 0.00 ATOM 424 CA THR A 56 32.800 11.348 81.506 1.00 0.00 ATOM 425 CB THR A 56 31.295 11.186 81.795 1.00 0.00 ATOM 426 CG2 THR A 56 30.688 10.128 80.884 1.00 0.00 ATOM 427 OG1 THR A 56 31.108 10.785 83.159 1.00 0.00 ATOM 428 O THR A 56 33.632 9.393 80.416 1.00 0.00 ATOM 429 C THR A 56 33.410 9.948 81.496 1.00 0.00 ATOM 430 N PRO A 57 33.535 9.459 82.807 1.00 0.00 ATOM 431 CA PRO A 57 33.859 8.034 82.954 1.00 0.00 ATOM 432 CB PRO A 57 33.857 7.915 84.407 1.00 0.00 ATOM 433 CG PRO A 57 33.885 9.233 85.081 1.00 0.00 ATOM 434 CD PRO A 57 34.231 10.287 84.067 1.00 0.00 ATOM 435 O PRO A 57 31.535 7.363 83.062 1.00 0.00 ATOM 436 C PRO A 57 32.661 7.135 82.607 1.00 0.00 ATOM 437 N ALA A 58 32.910 6.108 81.744 1.00 0.00 ATOM 438 CA ALA A 58 31.852 5.200 81.313 1.00 0.00 ATOM 439 CB ALA A 58 32.459 4.176 80.304 1.00 0.00 ATOM 440 O ALA A 58 30.058 3.952 82.307 1.00 0.00 ATOM 441 C ALA A 58 31.198 4.384 82.451 1.00 0.00 ATOM 442 N ALA A 59 31.956 4.183 83.505 1.00 0.00 ATOM 443 CA ALA A 59 31.425 3.424 84.648 1.00 0.00 ATOM 444 CB ALA A 59 32.579 2.743 85.370 1.00 0.00 ATOM 445 O ALA A 59 30.097 3.768 86.604 1.00 0.00 ATOM 446 C ALA A 59 30.640 4.291 85.592 1.00 0.00 ATOM 447 N SER A 60 30.519 5.592 85.348 1.00 0.00 ATOM 448 CA SER A 60 29.854 6.483 86.310 1.00 0.00 ATOM 449 CB SER A 60 30.078 7.933 85.874 1.00 0.00 ATOM 450 OG SER A 60 29.440 8.196 84.635 1.00 0.00 ATOM 451 O SER A 60 27.748 5.666 85.445 1.00 0.00 ATOM 452 C SER A 60 28.339 6.306 86.327 1.00 0.00 ATOM 453 N PRO A 61 27.712 6.854 87.363 1.00 0.00 ATOM 454 CA PRO A 61 26.269 6.750 87.498 1.00 0.00 ATOM 455 CB PRO A 61 25.985 7.352 88.874 1.00 0.00 ATOM 456 CG PRO A 61 27.259 7.209 89.626 1.00 0.00 ATOM 457 CD PRO A 61 28.362 7.288 88.618 1.00 0.00 ATOM 458 O PRO A 61 24.416 7.051 85.996 1.00 0.00 ATOM 459 C PRO A 61 25.501 7.476 86.397 1.00 0.00 ATOM 460 N THR A 62 26.016 8.623 85.893 1.00 0.00 ATOM 461 CA THR A 62 25.352 9.375 84.837 1.00 0.00 ATOM 462 CB THR A 62 26.001 10.729 84.493 1.00 0.00 ATOM 463 CG2 THR A 62 25.251 11.403 83.355 1.00 0.00 ATOM 464 OG1 THR A 62 25.965 11.581 85.643 1.00 0.00 ATOM 465 O THR A 62 24.336 8.472 82.849 1.00 0.00 ATOM 466 C THR A 62 25.329 8.512 83.577 1.00 0.00 ATOM 467 N GLY A 63 26.431 7.791 83.282 1.00 0.00 ATOM 468 CA GLY A 63 26.503 6.926 82.120 1.00 0.00 ATOM 469 O GLY A 63 24.828 5.406 81.316 1.00 0.00 ATOM 470 C GLY A 63 25.545 5.743 82.254 1.00 0.00 ATOM 471 N ARG A 64 25.540 5.099 83.418 1.00 0.00 ATOM 472 CA ARG A 64 24.632 3.976 83.642 1.00 0.00 ATOM 473 CB ARG A 64 24.839 3.392 85.043 1.00 0.00 ATOM 474 CG ARG A 64 26.149 2.638 85.212 1.00 0.00 ATOM 475 CD ARG A 64 26.323 2.150 86.641 1.00 0.00 ATOM 476 NE ARG A 64 27.591 1.449 86.830 1.00 0.00 ATOM 477 CZ ARG A 64 28.024 0.986 87.997 1.00 0.00 ATOM 478 NH1 ARG A 64 29.191 0.362 88.073 1.00 0.00 ATOM 479 NH2 ARG A 64 27.286 1.149 89.088 1.00 0.00 ATOM 480 O ARG A 64 22.331 3.773 82.910 1.00 0.00 ATOM 481 C ARG A 64 23.183 4.454 83.498 1.00 0.00 ATOM 482 N ASN A 65 22.892 5.638 84.026 1.00 0.00 ATOM 483 CA ASN A 65 21.531 6.144 83.953 1.00 0.00 ATOM 484 CB ASN A 65 21.384 7.398 84.816 1.00 0.00 ATOM 485 CG ASN A 65 21.361 7.110 86.284 1.00 0.00 ATOM 486 ND2 ASN A 65 21.945 7.914 87.128 1.00 0.00 ATOM 487 OD1 ASN A 65 20.742 6.092 86.705 1.00 0.00 ATOM 488 O ASN A 65 19.999 6.165 82.117 1.00 0.00 ATOM 489 C ASN A 65 21.125 6.449 82.520 1.00 0.00 ATOM 490 N LEU A 66 22.040 7.024 81.747 1.00 0.00 ATOM 491 CA LEU A 66 21.757 7.343 80.353 1.00 0.00 ATOM 492 CB LEU A 66 22.883 8.068 79.686 1.00 0.00 ATOM 493 CG LEU A 66 23.343 9.345 80.401 1.00 0.00 ATOM 494 CD1 LEU A 66 24.350 10.078 79.525 1.00 0.00 ATOM 495 CD2 LEU A 66 22.150 10.244 80.702 1.00 0.00 ATOM 496 O LEU A 66 20.626 5.982 78.709 1.00 0.00 ATOM 497 C LEU A 66 21.492 6.042 79.581 1.00 0.00 ATOM 498 N SER A 67 22.254 4.973 79.897 1.00 0.00 ATOM 499 CA SER A 67 22.106 3.703 79.196 1.00 0.00 ATOM 500 CB SER A 67 23.075 2.645 79.720 1.00 0.00 ATOM 501 OG SER A 67 24.420 3.008 79.456 1.00 0.00 ATOM 502 O SER A 67 20.083 2.712 78.360 1.00 0.00 ATOM 503 C SER A 67 20.663 3.221 79.327 1.00 0.00 ATOM 504 N GLU A 68 20.072 3.390 80.509 1.00 0.00 ATOM 505 CA GLU A 68 18.684 2.980 80.741 1.00 0.00 ATOM 506 CB GLU A 68 18.455 2.779 82.241 1.00 0.00 ATOM 507 CG GLU A 68 19.276 1.654 82.851 1.00 0.00 ATOM 508 CD GLU A 68 18.970 0.306 82.228 1.00 0.00 ATOM 509 OE1 GLU A 68 17.779 -0.067 82.177 1.00 0.00 ATOM 510 OE2 GLU A 68 19.920 -0.377 81.793 1.00 0.00 ATOM 511 O GLU A 68 16.724 3.562 79.543 1.00 0.00 ATOM 512 C GLU A 68 17.704 3.988 80.144 1.00 0.00 ATOM 513 N THR A 69 17.964 5.265 80.337 1.00 0.00 ATOM 514 CA THR A 69 17.083 6.287 79.755 1.00 0.00 ATOM 515 CB THR A 69 16.251 6.839 80.927 1.00 0.00 ATOM 516 CG2 THR A 69 15.279 7.902 80.440 1.00 0.00 ATOM 517 OG1 THR A 69 15.507 5.774 81.531 1.00 0.00 ATOM 518 O THR A 69 18.647 8.102 79.910 1.00 0.00 ATOM 519 C THR A 69 17.975 7.380 79.174 1.00 0.00 ATOM 520 N GLY A 70 17.984 7.517 77.835 1.00 0.00 ATOM 521 CA GLY A 70 18.804 8.511 77.139 1.00 0.00 ATOM 522 O GLY A 70 19.128 10.865 76.913 1.00 0.00 ATOM 523 C GLY A 70 18.363 9.971 77.264 1.00 0.00 ATOM 524 N ARG A 71 17.146 10.200 77.762 1.00 0.00 ATOM 525 CA ARG A 71 16.614 11.556 77.918 1.00 0.00 ATOM 526 CB ARG A 71 15.090 11.527 78.207 1.00 0.00 ATOM 527 CG ARG A 71 14.272 10.907 77.088 1.00 0.00 ATOM 528 CD ARG A 71 12.775 10.933 77.353 1.00 0.00 ATOM 529 NE ARG A 71 12.477 10.172 78.577 1.00 0.00 ATOM 530 CZ ARG A 71 12.281 8.857 78.628 1.00 0.00 ATOM 531 NH1 ARG A 71 12.338 8.119 77.521 1.00 0.00 ATOM 532 NH2 ARG A 71 12.015 8.254 79.797 1.00 0.00 ATOM 533 O ARG A 71 17.410 11.939 80.159 1.00 0.00 ATOM 534 C ARG A 71 17.345 12.355 78.993 1.00 0.00 ATOM 535 N VAL A 72 17.886 13.505 78.606 1.00 0.00 ATOM 536 CA VAL A 72 18.601 14.334 79.569 1.00 0.00 ATOM 537 CB VAL A 72 20.153 14.297 79.320 1.00 0.00 ATOM 538 CG1 VAL A 72 20.669 12.868 79.347 1.00 0.00 ATOM 539 CG2 VAL A 72 20.469 14.948 77.993 1.00 0.00 ATOM 540 O VAL A 72 17.650 16.243 78.450 1.00 0.00 ATOM 541 C VAL A 72 18.241 15.804 79.445 1.00 0.00 ATOM 542 N ARG A 73 18.587 16.563 80.477 1.00 0.00 ATOM 543 CA ARG A 73 18.361 17.998 80.486 1.00 0.00 ATOM 544 CB ARG A 73 17.340 18.362 81.556 1.00 0.00 ATOM 545 CG ARG A 73 15.962 17.809 81.139 1.00 0.00 ATOM 546 CD ARG A 73 14.860 18.341 82.051 1.00 0.00 ATOM 547 NE ARG A 73 13.570 17.989 81.487 1.00 0.00 ATOM 548 CZ ARG A 73 12.397 18.557 81.806 1.00 0.00 ATOM 549 NH1 ARG A 73 12.301 19.461 82.793 1.00 0.00 ATOM 550 NH2 ARG A 73 11.306 18.228 81.110 1.00 0.00 ATOM 551 O ARG A 73 20.277 18.227 81.891 1.00 0.00 ATOM 552 C ARG A 73 19.634 18.664 80.947 1.00 0.00 ATOM 553 N LEU A 74 20.028 19.724 80.236 1.00 0.00 ATOM 554 CA LEU A 74 21.231 20.479 80.525 1.00 0.00 ATOM 555 CB LEU A 74 22.391 20.159 79.513 1.00 0.00 ATOM 556 CG LEU A 74 22.107 20.631 78.097 1.00 0.00 ATOM 557 CD1 LEU A 74 22.679 22.059 77.833 1.00 0.00 ATOM 558 CD2 LEU A 74 22.708 19.685 77.055 1.00 0.00 ATOM 559 O LEU A 74 20.454 22.669 79.957 1.00 0.00 ATOM 560 C LEU A 74 20.944 21.939 80.819 1.00 0.00 ATOM 561 N GLY A 75 21.271 22.393 82.043 1.00 0.00 ATOM 562 CA GLY A 75 21.045 23.772 82.422 1.00 0.00 ATOM 563 O GLY A 75 23.139 24.126 83.546 1.00 0.00 ATOM 564 C GLY A 75 22.302 24.562 82.745 1.00 0.00 ATOM 565 N ILE A 76 22.349 25.811 82.247 1.00 0.00 ATOM 566 CA ILE A 76 23.423 26.749 82.541 1.00 0.00 ATOM 567 CB ILE A 76 23.962 27.393 81.260 1.00 0.00 ATOM 568 CG1 ILE A 76 24.593 26.305 80.385 1.00 0.00 ATOM 569 CG2 ILE A 76 24.998 28.455 81.618 1.00 0.00 ATOM 570 CD1 ILE A 76 25.032 26.783 79.019 1.00 0.00 ATOM 571 O ILE A 76 21.732 28.368 83.022 1.00 0.00 ATOM 572 C ILE A 76 22.758 27.812 83.415 1.00 0.00 ATOM 573 N GLY A 77 23.593 27.588 84.676 1.00 0.00 ATOM 574 CA GLY A 77 23.173 28.348 85.839 1.00 0.00 ATOM 575 O GLY A 77 24.725 29.951 86.684 1.00 0.00 ATOM 576 C GLY A 77 23.829 29.720 85.888 1.00 0.00 ATOM 577 N PRO A 78 23.409 30.610 84.993 1.00 0.00 ATOM 578 CA PRO A 78 23.988 31.945 84.931 1.00 0.00 ATOM 579 CB PRO A 78 24.075 32.210 83.418 1.00 0.00 ATOM 580 CG PRO A 78 22.934 31.432 82.879 1.00 0.00 ATOM 581 CD PRO A 78 22.962 30.148 83.678 1.00 0.00 ATOM 582 O PRO A 78 23.882 34.083 86.028 1.00 0.00 ATOM 583 C PRO A 78 23.413 32.951 85.921 1.00 0.00 ATOM 584 N THR A 79 22.335 32.699 86.543 1.00 0.00 ATOM 585 CA THR A 79 21.713 33.538 87.560 1.00 0.00 ATOM 586 CB THR A 79 22.572 34.446 88.456 1.00 0.00 ATOM 587 CG2 THR A 79 23.443 33.614 89.383 1.00 0.00 ATOM 588 OG1 THR A 79 23.417 35.270 87.643 1.00 0.00 ATOM 589 O THR A 79 19.508 34.207 86.956 1.00 0.00 ATOM 590 C THR A 79 20.698 34.505 86.958 1.00 0.00 ATOM 591 N ARG A 80 21.052 35.689 86.488 1.00 0.00 ATOM 592 CA ARG A 80 20.122 36.660 85.916 1.00 0.00 ATOM 593 CB ARG A 80 20.853 37.948 85.531 1.00 0.00 ATOM 594 CG ARG A 80 21.772 37.805 84.331 1.00 0.00 ATOM 595 CD ARG A 80 22.492 39.110 84.029 1.00 0.00 ATOM 596 NE ARG A 80 23.391 38.989 82.882 1.00 0.00 ATOM 597 CZ ARG A 80 24.570 38.375 82.923 1.00 0.00 ATOM 598 NH1 ARG A 80 25.319 38.314 81.827 1.00 0.00 ATOM 599 NH2 ARG A 80 24.997 37.830 84.050 1.00 0.00 ATOM 600 O ARG A 80 18.530 36.623 84.092 1.00 0.00 ATOM 601 C ARG A 80 19.478 36.070 84.644 1.00 0.00 ATOM 602 N ASP A 81 20.260 34.992 84.187 1.00 0.00 ATOM 603 CA ASP A 81 19.816 34.266 82.999 1.00 0.00 ATOM 604 CB ASP A 81 20.677 34.586 81.806 1.00 0.00 ATOM 605 CG ASP A 81 20.440 35.977 81.270 1.00 0.00 ATOM 606 OD1 ASP A 81 19.409 36.620 81.595 1.00 0.00 ATOM 607 OD2 ASP A 81 21.313 36.402 80.491 1.00 0.00 ATOM 608 O ASP A 81 20.731 32.368 84.122 1.00 0.00 ATOM 609 C ASP A 81 19.953 32.779 83.271 1.00 0.00 ATOM 610 N LEU A 82 19.154 31.991 82.564 1.00 0.00 ATOM 611 CA LEU A 82 19.240 30.538 82.627 1.00 0.00 ATOM 612 CB LEU A 82 18.170 30.019 83.565 1.00 0.00 ATOM 613 CG LEU A 82 18.073 28.493 83.680 1.00 0.00 ATOM 614 CD1 LEU A 82 19.291 27.944 84.407 1.00 0.00 ATOM 615 CD2 LEU A 82 16.799 28.118 84.439 1.00 0.00 ATOM 616 O LEU A 82 18.178 30.629 80.518 1.00 0.00 ATOM 617 C LEU A 82 18.978 29.996 81.231 1.00 0.00 ATOM 618 N VAL A 83 19.694 29.015 80.839 1.00 0.00 ATOM 619 CA VAL A 83 19.421 28.365 79.538 1.00 0.00 ATOM 620 CB VAL A 83 20.626 28.576 78.604 1.00 0.00 ATOM 621 CG1 VAL A 83 20.380 27.910 77.260 1.00 0.00 ATOM 622 CG2 VAL A 83 20.864 30.059 78.366 1.00 0.00 ATOM 623 O VAL A 83 20.169 26.260 80.427 1.00 0.00 ATOM 624 C VAL A 83 19.284 26.871 79.814 1.00 0.00 ATOM 625 N LEU A 84 18.169 26.278 79.383 1.00 0.00 ATOM 626 CA LEU A 84 17.916 24.859 79.589 1.00 0.00 ATOM 627 CB LEU A 84 16.660 24.679 80.422 1.00 0.00 ATOM 628 CG LEU A 84 16.648 25.394 81.773 1.00 0.00 ATOM 629 CD1 LEU A 84 15.335 25.125 82.483 1.00 0.00 ATOM 630 CD2 LEU A 84 17.827 24.926 82.609 1.00 0.00 ATOM 631 O LEU A 84 16.842 24.465 77.477 1.00 0.00 ATOM 632 C LEU A 84 17.704 24.094 78.290 1.00 0.00 ATOM 633 N VAL A 85 18.456 23.016 78.110 1.00 0.00 ATOM 634 CA VAL A 85 18.346 22.210 76.905 1.00 0.00 ATOM 635 CB VAL A 85 19.752 22.060 76.293 1.00 0.00 ATOM 636 CG1 VAL A 85 19.697 21.205 75.036 1.00 0.00 ATOM 637 CG2 VAL A 85 20.322 23.420 75.925 1.00 0.00 ATOM 638 O VAL A 85 18.081 20.251 78.262 1.00 0.00 ATOM 639 C VAL A 85 17.785 20.824 77.214 1.00 0.00 ATOM 640 N GLU A 86 16.878 20.354 76.360 1.00 0.00 ATOM 641 CA GLU A 86 16.271 19.029 76.502 1.00 0.00 ATOM 642 CB GLU A 86 14.750 19.142 76.611 1.00 0.00 ATOM 643 CG GLU A 86 14.039 17.804 76.762 1.00 0.00 ATOM 644 CD GLU A 86 12.538 17.955 76.902 1.00 0.00 ATOM 645 OE1 GLU A 86 12.045 19.099 76.822 1.00 0.00 ATOM 646 OE2 GLU A 86 11.852 16.929 77.094 1.00 0.00 ATOM 647 O GLU A 86 16.492 18.734 74.139 1.00 0.00 ATOM 648 C GLU A 86 16.654 18.238 75.257 1.00 0.00 ATOM 649 N GLY A 87 17.167 17.025 75.448 1.00 0.00 ATOM 650 CA GLY A 87 17.541 16.198 74.311 1.00 0.00 ATOM 651 O GLY A 87 17.563 14.347 75.826 1.00 0.00 ATOM 652 C GLY A 87 17.914 14.786 74.722 1.00 0.00 ATOM 653 N THR A 88 18.425 14.039 73.740 1.00 0.00 ATOM 654 CA THR A 88 18.823 12.635 74.009 1.00 0.00 ATOM 655 CB THR A 88 18.172 11.652 73.015 1.00 0.00 ATOM 656 CG2 THR A 88 16.613 11.635 73.193 1.00 0.00 ATOM 657 OG1 THR A 88 18.533 12.002 71.668 1.00 0.00 ATOM 658 O THR A 88 21.067 13.241 73.268 1.00 0.00 ATOM 659 C THR A 88 20.357 12.518 73.984 1.00 0.00 ATOM 660 N ALA A 89 20.886 11.641 74.835 1.00 0.00 ATOM 661 CA ALA A 89 22.333 11.465 74.935 1.00 0.00 ATOM 662 CB ALA A 89 22.841 11.271 76.450 1.00 0.00 ATOM 663 O ALA A 89 22.391 9.172 74.253 1.00 0.00 ATOM 664 C ALA A 89 22.811 10.317 74.062 1.00 0.00 ATOM 665 N LEU A 90 23.748 10.622 73.162 1.00 0.00 ATOM 666 CA LEU A 90 24.333 9.615 72.279 1.00 0.00 ATOM 667 CB LEU A 90 24.134 10.098 70.837 1.00 0.00 ATOM 668 CG LEU A 90 22.673 9.999 70.315 1.00 0.00 ATOM 669 CD1 LEU A 90 22.593 10.731 68.929 1.00 0.00 ATOM 670 CD2 LEU A 90 22.212 8.584 70.212 1.00 0.00 ATOM 671 O LEU A 90 26.486 10.505 72.839 1.00 0.00 ATOM 672 C LEU A 90 25.828 9.508 72.534 1.00 0.00 ATOM 673 N PRO A 91 26.379 8.307 72.393 1.00 0.00 ATOM 674 CA PRO A 91 27.793 8.094 72.611 1.00 0.00 ATOM 675 CB PRO A 91 27.929 6.581 72.545 1.00 0.00 ATOM 676 CG PRO A 91 26.826 6.114 71.728 1.00 0.00 ATOM 677 CD PRO A 91 25.727 7.057 72.003 1.00 0.00 ATOM 678 O PRO A 91 28.333 8.805 70.396 1.00 0.00 ATOM 679 C PRO A 91 28.681 8.730 71.567 1.00 0.00 ATOM 680 N LEU A 92 29.852 9.184 72.009 1.00 0.00 ATOM 681 CA LEU A 92 30.848 9.722 71.094 1.00 0.00 ATOM 682 CB LEU A 92 32.114 10.040 71.861 1.00 0.00 ATOM 683 CG LEU A 92 33.167 10.818 71.079 1.00 0.00 ATOM 684 CD1 LEU A 92 32.672 12.235 70.936 1.00 0.00 ATOM 685 CD2 LEU A 92 34.516 10.777 71.791 1.00 0.00 ATOM 686 O LEU A 92 31.474 7.484 70.497 1.00 0.00 ATOM 687 C LEU A 92 31.274 8.638 70.113 1.00 0.00 ATOM 688 N GLU A 93 31.437 9.015 68.854 1.00 0.00 ATOM 689 CA GLU A 93 31.838 8.074 67.818 1.00 0.00 ATOM 690 CB GLU A 93 30.645 7.752 66.923 1.00 0.00 ATOM 691 CG GLU A 93 29.467 7.117 67.638 1.00 0.00 ATOM 692 CD GLU A 93 29.842 5.825 68.332 1.00 0.00 ATOM 693 OE1 GLU A 93 30.650 5.065 67.763 1.00 0.00 ATOM 694 OE2 GLU A 93 29.312 5.563 69.432 1.00 0.00 ATOM 695 O GLU A 93 33.006 9.942 66.873 1.00 0.00 ATOM 696 C GLU A 93 32.793 8.730 66.833 1.00 0.00 ATOM 697 N PRO A 94 33.407 7.936 65.948 1.00 0.00 ATOM 698 CA PRO A 94 34.352 8.450 64.945 1.00 0.00 ATOM 699 CB PRO A 94 34.725 7.196 64.147 1.00 0.00 ATOM 700 CG PRO A 94 34.514 6.076 65.116 1.00 0.00 ATOM 701 CD PRO A 94 33.286 6.472 65.886 1.00 0.00 ATOM 702 O PRO A 94 34.481 10.509 63.743 1.00 0.00 ATOM 703 C PRO A 94 33.791 9.549 64.044 1.00 0.00 ATOM 704 N ALA A 95 32.536 9.457 63.641 1.00 0.00 ATOM 705 CA ALA A 95 31.946 10.465 62.769 1.00 0.00 ATOM 706 CB ALA A 95 30.482 10.138 62.500 1.00 0.00 ATOM 707 O ALA A 95 32.367 12.812 62.517 1.00 0.00 ATOM 708 C ALA A 95 32.057 11.899 63.280 1.00 0.00 ATOM 709 N GLY A 96 31.820 12.083 64.573 1.00 0.00 ATOM 710 CA GLY A 96 31.895 13.407 65.164 1.00 0.00 ATOM 711 O GLY A 96 33.398 15.144 64.506 1.00 0.00 ATOM 712 C GLY A 96 33.273 14.016 64.978 1.00 0.00 ATOM 713 N LEU A 97 34.303 13.284 65.365 1.00 0.00 ATOM 714 CA LEU A 97 35.684 13.743 65.231 1.00 0.00 ATOM 715 CB LEU A 97 36.690 12.758 65.775 1.00 0.00 ATOM 716 CG LEU A 97 36.667 12.557 67.293 1.00 0.00 ATOM 717 CD1 LEU A 97 37.580 11.391 67.665 1.00 0.00 ATOM 718 CD2 LEU A 97 37.113 13.840 67.988 1.00 0.00 ATOM 719 O LEU A 97 36.579 15.001 63.401 1.00 0.00 ATOM 720 C LEU A 97 36.058 13.949 63.768 1.00 0.00 ATOM 721 N PRO A 98 35.744 12.969 62.798 1.00 0.00 ATOM 722 CA PRO A 98 35.947 13.146 61.361 1.00 0.00 ATOM 723 CB PRO A 98 35.538 11.771 60.807 1.00 0.00 ATOM 724 CG PRO A 98 36.009 10.850 61.882 1.00 0.00 ATOM 725 CD PRO A 98 35.557 11.564 63.148 1.00 0.00 ATOM 726 O PRO A 98 35.770 15.040 59.892 1.00 0.00 ATOM 727 C PRO A 98 35.259 14.397 60.812 1.00 0.00 ATOM 728 N ASP A 99 34.133 14.773 61.411 1.00 0.00 ATOM 729 CA ASP A 99 33.394 15.950 60.958 1.00 0.00 ATOM 730 CB ASP A 99 31.902 15.791 61.241 1.00 0.00 ATOM 731 CG ASP A 99 31.221 14.708 60.384 1.00 0.00 ATOM 732 OD1 ASP A 99 31.695 14.454 59.240 1.00 0.00 ATOM 733 OD2 ASP A 99 30.268 14.066 60.867 1.00 0.00 ATOM 734 O ASP A 99 33.340 18.317 61.344 1.00 0.00 ATOM 735 C ASP A 99 33.957 17.263 61.497 1.00 0.00 ATOM 736 N GLY A 100 35.053 17.184 62.249 1.00 0.00 ATOM 737 CA GLY A 100 35.660 18.389 62.784 1.00 0.00 ATOM 738 O GLY A 100 35.635 19.880 64.618 1.00 0.00 ATOM 739 C GLY A 100 35.095 18.888 64.067 1.00 0.00 ATOM 740 N VAL A 101 34.143 18.150 64.703 1.00 0.00 ATOM 741 CA VAL A 101 33.572 18.611 65.942 1.00 0.00 ATOM 742 CB VAL A 101 32.309 17.768 66.254 1.00 0.00 ATOM 743 CG1 VAL A 101 31.864 17.993 67.695 1.00 0.00 ATOM 744 CG2 VAL A 101 31.195 18.152 65.286 1.00 0.00 ATOM 745 O VAL A 101 34.811 19.346 67.880 1.00 0.00 ATOM 746 C VAL A 101 34.623 18.457 67.043 1.00 0.00 ATOM 747 N GLY A 102 35.298 17.314 67.030 1.00 0.00 ATOM 748 CA GLY A 102 36.328 17.061 68.019 1.00 0.00 ATOM 749 O GLY A 102 38.037 18.482 68.902 1.00 0.00 ATOM 750 C GLY A 102 37.443 18.097 67.899 1.00 0.00 ATOM 751 N ASP A 103 37.779 18.492 66.669 1.00 0.00 ATOM 752 CA ASP A 103 38.816 19.501 66.452 1.00 0.00 ATOM 753 CB ASP A 103 39.011 19.758 64.958 1.00 0.00 ATOM 754 CG ASP A 103 39.581 18.548 64.248 1.00 0.00 ATOM 755 OD1 ASP A 103 40.023 17.600 64.938 1.00 0.00 ATOM 756 OD2 ASP A 103 39.599 18.562 62.998 1.00 0.00 ATOM 757 O ASP A 103 39.235 21.417 67.826 1.00 0.00 ATOM 758 C ASP A 103 38.411 20.769 67.187 1.00 0.00 ATOM 759 N THR A 104 37.145 21.071 67.070 1.00 0.00 ATOM 760 CA THR A 104 36.631 22.263 67.725 1.00 0.00 ATOM 761 CB THR A 104 35.222 22.578 67.166 1.00 0.00 ATOM 762 CG2 THR A 104 34.564 23.782 67.852 1.00 0.00 ATOM 763 OG1 THR A 104 35.362 22.899 65.745 1.00 0.00 ATOM 764 O THR A 104 36.953 23.036 69.974 1.00 0.00 ATOM 765 C THR A 104 36.659 22.095 69.244 1.00 0.00 ATOM 766 N PHE A 105 36.406 20.896 69.716 1.00 0.00 ATOM 767 CA PHE A 105 36.453 20.639 71.149 1.00 0.00 ATOM 768 CB PHE A 105 35.947 19.222 71.402 1.00 0.00 ATOM 769 CG PHE A 105 35.838 18.796 72.868 1.00 0.00 ATOM 770 CD1 PHE A 105 34.855 19.257 73.694 1.00 0.00 ATOM 771 CD2 PHE A 105 36.677 17.830 73.340 1.00 0.00 ATOM 772 CE1 PHE A 105 34.766 18.757 75.004 1.00 0.00 ATOM 773 CE2 PHE A 105 36.536 17.290 74.605 1.00 0.00 ATOM 774 CZ PHE A 105 35.587 17.798 75.442 1.00 0.00 ATOM 775 O PHE A 105 38.091 21.395 72.730 1.00 0.00 ATOM 776 C PHE A 105 37.875 20.823 71.659 1.00 0.00 ATOM 777 N ALA A 106 38.832 20.347 70.892 1.00 0.00 ATOM 778 CA ALA A 106 40.232 20.468 71.269 1.00 0.00 ATOM 779 CB ALA A 106 41.125 19.656 70.341 1.00 0.00 ATOM 780 O ALA A 106 41.300 22.395 72.230 1.00 0.00 ATOM 781 C ALA A 106 40.680 21.928 71.275 1.00 0.00 ATOM 782 N GLU A 107 40.364 22.638 70.216 1.00 0.00 ATOM 783 CA GLU A 107 40.735 24.043 70.098 1.00 0.00 ATOM 784 CB GLU A 107 40.533 24.576 68.676 1.00 0.00 ATOM 785 CG GLU A 107 41.180 25.940 68.453 1.00 0.00 ATOM 786 CD GLU A 107 41.245 26.362 66.991 1.00 0.00 ATOM 787 OE1 GLU A 107 41.967 27.344 66.693 1.00 0.00 ATOM 788 OE2 GLU A 107 40.588 25.728 66.139 1.00 0.00 ATOM 789 O GLU A 107 40.687 25.654 71.879 1.00 0.00 ATOM 790 C GLU A 107 40.025 24.910 71.141 1.00 0.00 ATOM 791 N LYS A 108 38.758 24.627 71.411 1.00 0.00 ATOM 792 CA LYS A 108 37.970 25.404 72.360 1.00 0.00 ATOM 793 CB LYS A 108 36.454 25.155 72.044 1.00 0.00 ATOM 794 CG LYS A 108 35.488 25.924 72.944 1.00 0.00 ATOM 795 CD LYS A 108 35.565 27.423 72.699 1.00 0.00 ATOM 796 CE LYS A 108 34.535 28.162 73.542 1.00 0.00 ATOM 797 NZ LYS A 108 34.530 29.635 73.277 1.00 0.00 ATOM 798 O LYS A 108 38.236 25.934 74.647 1.00 0.00 ATOM 799 C LYS A 108 38.267 25.044 73.811 1.00 0.00 ATOM 800 N THR A 109 38.532 23.774 74.125 1.00 0.00 ATOM 801 CA THR A 109 38.592 23.375 75.530 1.00 0.00 ATOM 802 CB THR A 109 37.221 22.721 76.026 1.00 0.00 ATOM 803 CG2 THR A 109 35.958 23.552 75.706 1.00 0.00 ATOM 804 OG1 THR A 109 37.075 21.432 75.436 1.00 0.00 ATOM 805 O THR A 109 40.249 22.776 77.119 1.00 0.00 ATOM 806 C THR A 109 39.876 22.688 75.957 1.00 0.00 ATOM 807 N GLY A 110 40.611 22.101 75.017 1.00 0.00 ATOM 808 CA GLY A 110 41.886 21.484 75.304 1.00 0.00 ATOM 809 O GLY A 110 42.801 19.330 75.635 1.00 0.00 ATOM 810 C GLY A 110 41.777 19.979 75.500 1.00 0.00 ATOM 811 N PHE A 111 40.582 19.466 75.537 1.00 0.00 ATOM 812 CA PHE A 111 40.394 18.026 75.735 1.00 0.00 ATOM 813 CB PHE A 111 39.039 17.648 76.169 1.00 0.00 ATOM 814 CG PHE A 111 38.643 18.187 77.511 1.00 0.00 ATOM 815 CD1 PHE A 111 37.574 19.068 77.629 1.00 0.00 ATOM 816 CD2 PHE A 111 39.306 17.774 78.663 1.00 0.00 ATOM 817 CE1 PHE A 111 37.163 19.525 78.873 1.00 0.00 ATOM 818 CE2 PHE A 111 38.904 18.229 79.919 1.00 0.00 ATOM 819 CZ PHE A 111 37.831 19.105 80.021 1.00 0.00 ATOM 820 O PHE A 111 40.391 17.612 73.373 1.00 0.00 ATOM 821 C PHE A 111 40.852 17.287 74.475 1.00 0.00 ATOM 822 N ASP A 112 41.799 16.350 74.580 1.00 0.00 ATOM 823 CA ASP A 112 42.281 15.679 73.369 1.00 0.00 ATOM 824 CB ASP A 112 43.302 14.579 73.770 1.00 0.00 ATOM 825 CG ASP A 112 44.486 15.131 74.539 1.00 0.00 ATOM 826 OD1 ASP A 112 45.142 16.066 74.037 1.00 0.00 ATOM 827 OD2 ASP A 112 44.765 14.618 75.641 1.00 0.00 ATOM 828 O ASP A 112 40.314 14.352 73.164 1.00 0.00 ATOM 829 C ASP A 112 41.181 14.980 72.580 1.00 0.00 ATOM 830 N PRO A 113 41.241 15.085 71.271 1.00 0.00 ATOM 831 CA PRO A 113 40.260 14.373 70.435 1.00 0.00 ATOM 832 CB PRO A 113 40.807 14.558 69.022 1.00 0.00 ATOM 833 CG PRO A 113 41.536 15.831 69.121 1.00 0.00 ATOM 834 CD PRO A 113 42.148 15.937 70.475 1.00 0.00 ATOM 835 O PRO A 113 39.226 12.214 70.488 1.00 0.00 ATOM 836 C PRO A 113 40.248 12.863 70.683 1.00 0.00 ATOM 837 N ARG A 114 41.361 12.313 71.059 1.00 0.00 ATOM 838 CA ARG A 114 41.451 10.878 71.321 1.00 0.00 ATOM 839 CB ARG A 114 42.691 10.360 70.407 1.00 0.00 ATOM 840 CG ARG A 114 42.959 8.850 70.451 1.00 0.00 ATOM 841 CD ARG A 114 41.706 8.011 70.154 1.00 0.00 ATOM 842 NE ARG A 114 41.059 8.367 68.890 1.00 0.00 ATOM 843 CZ ARG A 114 41.410 7.858 67.703 1.00 0.00 ATOM 844 NH1 ARG A 114 42.381 6.952 67.608 1.00 0.00 ATOM 845 NH2 ARG A 114 40.775 8.249 66.603 1.00 0.00 ATOM 846 O ARG A 114 41.206 9.452 73.184 1.00 0.00 ATOM 847 C ARG A 114 40.833 10.491 72.648 1.00 0.00 ATOM 848 N ARG A 115 40.108 11.398 73.286 1.00 0.00 ATOM 849 CA ARG A 115 39.548 11.108 74.599 1.00 0.00 ATOM 850 CB ARG A 115 39.826 12.166 75.646 1.00 0.00 ATOM 851 CG ARG A 115 40.979 11.830 76.570 1.00 0.00 ATOM 852 CD ARG A 115 42.348 11.830 75.900 1.00 0.00 ATOM 853 NE ARG A 115 43.439 11.735 76.866 1.00 0.00 ATOM 854 CZ ARG A 115 43.805 12.717 77.688 1.00 0.00 ATOM 855 NH1 ARG A 115 44.816 12.531 78.534 1.00 0.00 ATOM 856 NH2 ARG A 115 43.162 13.882 77.680 1.00 0.00 ATOM 857 O ARG A 115 37.417 9.974 74.641 1.00 0.00 ATOM 858 C ARG A 115 38.639 9.893 74.421 1.00 0.00 ATOM 859 N LEU A 116 39.265 8.694 74.009 1.00 0.00 ATOM 860 CA LEU A 116 38.472 7.485 73.797 1.00 0.00 ATOM 861 CB LEU A 116 38.361 7.216 72.328 1.00 0.00 ATOM 862 CG LEU A 116 37.417 8.187 71.612 1.00 0.00 ATOM 863 CD1 LEU A 116 37.488 7.966 70.113 1.00 0.00 ATOM 864 CD2 LEU A 116 36.003 8.000 72.130 1.00 0.00 ATOM 865 O LEU A 116 39.107 5.192 74.084 1.00 0.00 ATOM 866 C LEU A 116 39.056 6.320 74.585 1.00 0.00 ATOM 867 N THR A 117 39.507 6.576 75.827 1.00 0.00 ATOM 868 CA THR A 117 40.075 5.506 76.652 1.00 0.00 ATOM 869 CB THR A 117 40.596 6.067 77.989 1.00 0.00 ATOM 870 CG2 THR A 117 41.285 4.974 78.794 1.00 0.00 ATOM 871 OG1 THR A 117 41.532 7.119 77.736 1.00 0.00 ATOM 872 O THR A 117 37.804 4.583 76.769 1.00 0.00 ATOM 873 C THR A 117 39.024 4.420 76.888 1.00 0.00 ATOM 874 N THR A 118 39.446 3.177 77.035 1.00 0.00 ATOM 875 CA THR A 118 38.487 2.106 77.302 1.00 0.00 ATOM 876 CB THR A 118 39.175 0.764 77.740 1.00 0.00 ATOM 877 CG2 THR A 118 40.017 0.174 76.605 1.00 0.00 ATOM 878 OG1 THR A 118 39.971 0.971 78.918 1.00 0.00 ATOM 879 O THR A 118 36.316 2.072 78.356 1.00 0.00 ATOM 880 C THR A 118 37.455 2.545 78.353 1.00 0.00 ATOM 881 N SER A 119 37.857 3.456 79.236 1.00 0.00 ATOM 882 CA SER A 119 36.963 3.929 80.285 1.00 0.00 ATOM 883 CB SER A 119 37.587 3.720 81.664 1.00 0.00 ATOM 884 OG SER A 119 38.771 4.487 81.808 1.00 0.00 ATOM 885 O SER A 119 35.667 5.856 80.887 1.00 0.00 ATOM 886 C SER A 119 36.567 5.407 80.178 1.00 0.00 ATOM 887 N TYR A 120 37.294 6.153 79.353 1.00 0.00 ATOM 888 CA TYR A 120 36.988 7.577 79.168 1.00 0.00 ATOM 889 CB TYR A 120 38.280 8.411 79.409 1.00 0.00 ATOM 890 CG TYR A 120 38.003 9.859 79.739 1.00 0.00 ATOM 891 CD1 TYR A 120 37.754 10.254 81.045 1.00 0.00 ATOM 892 CD2 TYR A 120 37.959 10.827 78.738 1.00 0.00 ATOM 893 CE1 TYR A 120 37.468 11.586 81.351 1.00 0.00 ATOM 894 CE2 TYR A 120 37.669 12.165 79.033 1.00 0.00 ATOM 895 CZ TYR A 120 37.418 12.528 80.336 1.00 0.00 ATOM 896 OH TYR A 120 37.130 13.843 80.630 1.00 0.00 ATOM 897 O TYR A 120 36.719 7.386 76.812 1.00 0.00 ATOM 898 C TYR A 120 36.214 7.787 77.881 1.00 0.00 ATOM 899 N LEU A 121 35.038 8.403 78.005 1.00 0.00 ATOM 900 CA LEU A 121 34.244 8.666 76.806 1.00 0.00 ATOM 901 CB LEU A 121 33.224 7.530 76.697 1.00 0.00 ATOM 902 CG LEU A 121 33.792 6.119 76.544 1.00 0.00 ATOM 903 CD1 LEU A 121 32.695 5.076 76.680 1.00 0.00 ATOM 904 CD2 LEU A 121 34.448 5.946 75.181 1.00 0.00 ATOM 905 O LEU A 121 33.751 10.801 77.816 1.00 0.00 ATOM 906 C LEU A 121 33.506 9.995 76.918 1.00 0.00 ATOM 907 N TYR A 122 32.587 10.106 75.864 1.00 0.00 ATOM 908 CA TYR A 122 31.769 11.307 75.854 1.00 0.00 ATOM 909 CB TYR A 122 32.210 12.267 74.749 1.00 0.00 ATOM 910 CG TYR A 122 33.602 12.819 74.959 1.00 0.00 ATOM 911 CD1 TYR A 122 34.722 12.084 74.588 1.00 0.00 ATOM 912 CD2 TYR A 122 33.796 14.059 75.562 1.00 0.00 ATOM 913 CE1 TYR A 122 36.013 12.564 74.810 1.00 0.00 ATOM 914 CE2 TYR A 122 35.084 14.556 75.796 1.00 0.00 ATOM 915 CZ TYR A 122 36.187 13.803 75.418 1.00 0.00 ATOM 916 OH TYR A 122 37.460 14.278 75.637 1.00 0.00 ATOM 917 O TYR A 122 30.048 10.061 74.722 1.00 0.00 ATOM 918 C TYR A 122 30.337 11.084 75.344 1.00 0.00 ATOM 919 N PHE A 123 29.555 12.090 75.589 1.00 0.00 ATOM 920 CA PHE A 123 28.164 12.088 75.105 1.00 0.00 ATOM 921 CB PHE A 123 27.184 11.914 76.270 1.00 0.00 ATOM 922 CG PHE A 123 27.443 10.644 77.041 1.00 0.00 ATOM 923 CD1 PHE A 123 26.973 9.430 76.552 1.00 0.00 ATOM 924 CD2 PHE A 123 28.237 10.673 78.174 1.00 0.00 ATOM 925 CE1 PHE A 123 27.229 8.252 77.230 1.00 0.00 ATOM 926 CE2 PHE A 123 28.493 9.488 78.853 1.00 0.00 ATOM 927 CZ PHE A 123 28.018 8.291 78.382 1.00 0.00 ATOM 928 O PHE A 123 28.246 14.449 74.824 1.00 0.00 ATOM 929 C PHE A 123 27.794 13.385 74.419 1.00 0.00 ATOM 930 N ARG A 124 27.002 13.266 73.356 1.00 0.00 ATOM 931 CA ARG A 124 26.487 14.424 72.641 1.00 0.00 ATOM 932 CB ARG A 124 27.207 14.536 71.282 1.00 0.00 ATOM 933 CG ARG A 124 26.901 13.398 70.355 1.00 0.00 ATOM 934 CD ARG A 124 27.433 13.713 68.966 1.00 0.00 ATOM 935 NE ARG A 124 27.562 12.493 68.196 1.00 0.00 ATOM 936 CZ ARG A 124 27.672 12.434 66.878 1.00 0.00 ATOM 937 NH1 ARG A 124 27.784 11.251 66.304 1.00 0.00 ATOM 938 NH2 ARG A 124 27.660 13.537 66.144 1.00 0.00 ATOM 939 O ARG A 124 24.318 13.434 72.735 1.00 0.00 ATOM 940 C ARG A 124 24.998 14.446 72.915 1.00 0.00 ATOM 941 N ILE A 125 24.504 15.558 73.444 1.00 0.00 ATOM 942 CA ILE A 125 23.077 15.702 73.753 1.00 0.00 ATOM 943 CB ILE A 125 22.837 16.446 75.075 1.00 0.00 ATOM 944 CG1 ILE A 125 23.513 15.699 76.225 1.00 0.00 ATOM 945 CG2 ILE A 125 21.336 16.532 75.355 1.00 0.00 ATOM 946 CD1 ILE A 125 23.415 16.423 77.545 1.00 0.00 ATOM 947 O ILE A 125 22.993 17.430 72.083 1.00 0.00 ATOM 948 C ILE A 125 22.471 16.413 72.547 1.00 0.00 ATOM 949 N SER A 126 21.379 15.850 72.007 1.00 0.00 ATOM 950 CA SER A 126 20.700 16.444 70.865 1.00 0.00 ATOM 951 CB SER A 126 19.742 15.445 70.212 1.00 0.00 ATOM 952 OG SER A 126 18.673 15.123 71.085 1.00 0.00 ATOM 953 O SER A 126 19.485 17.718 72.501 1.00 0.00 ATOM 954 C SER A 126 19.885 17.638 71.329 1.00 0.00 ATOM 955 N PRO A 127 19.590 18.538 70.393 1.00 0.00 ATOM 956 CA PRO A 127 18.831 19.745 70.700 1.00 0.00 ATOM 957 CB PRO A 127 19.512 20.828 69.860 1.00 0.00 ATOM 958 CG PRO A 127 20.058 20.095 68.677 1.00 0.00 ATOM 959 CD PRO A 127 20.449 18.730 69.177 1.00 0.00 ATOM 960 O PRO A 127 16.936 20.068 69.266 1.00 0.00 ATOM 961 C PRO A 127 17.354 19.629 70.339 1.00 0.00 ATOM 962 N ARG A 128 16.549 19.003 71.298 1.00 0.00 ATOM 963 CA ARG A 128 15.126 18.885 71.014 1.00 0.00 ATOM 964 CB ARG A 128 14.477 17.779 71.753 1.00 0.00 ATOM 965 CG ARG A 128 14.855 16.431 71.162 1.00 0.00 ATOM 966 CD ARG A 128 14.185 15.277 71.877 1.00 0.00 ATOM 967 NE ARG A 128 12.762 15.459 72.068 1.00 0.00 ATOM 968 CZ ARG A 128 11.841 15.105 71.172 1.00 0.00 ATOM 969 NH1 ARG A 128 12.222 14.547 70.040 1.00 0.00 ATOM 970 NH2 ARG A 128 10.550 15.275 71.423 1.00 0.00 ATOM 971 O ARG A 128 13.672 20.763 70.606 1.00 0.00 ATOM 972 C ARG A 128 14.432 20.189 71.396 1.00 0.00 ATOM 973 N ARG A 129 14.796 20.716 72.560 1.00 0.00 ATOM 974 CA ARG A 129 14.235 21.976 73.028 1.00 0.00 ATOM 975 CB ARG A 129 13.088 21.756 74.029 1.00 0.00 ATOM 976 CG ARG A 129 11.978 20.881 73.519 1.00 0.00 ATOM 977 CD ARG A 129 11.164 21.477 72.406 1.00 0.00 ATOM 978 NE ARG A 129 10.060 20.579 72.057 1.00 0.00 ATOM 979 CZ ARG A 129 9.237 20.747 71.026 1.00 0.00 ATOM 980 NH1 ARG A 129 9.379 21.772 70.191 1.00 0.00 ATOM 981 NH2 ARG A 129 8.269 19.872 70.820 1.00 0.00 ATOM 982 O ARG A 129 16.190 22.242 74.399 1.00 0.00 ATOM 983 C ARG A 129 15.315 22.787 73.727 1.00 0.00 ATOM 984 N VAL A 130 15.302 24.069 73.488 1.00 0.00 ATOM 985 CA VAL A 130 16.236 24.983 74.123 1.00 0.00 ATOM 986 CB VAL A 130 17.276 25.516 73.134 1.00 0.00 ATOM 987 CG1 VAL A 130 18.141 26.570 73.822 1.00 0.00 ATOM 988 CG2 VAL A 130 18.133 24.358 72.657 1.00 0.00 ATOM 989 O VAL A 130 14.747 26.842 73.883 1.00 0.00 ATOM 990 C VAL A 130 15.405 26.136 74.650 1.00 0.00 ATOM 991 N GLN A 131 15.451 26.335 75.962 1.00 0.00 ATOM 992 CA GLN A 131 14.682 27.383 76.607 1.00 0.00 ATOM 993 CB GLN A 131 13.727 26.725 77.608 1.00 0.00 ATOM 994 CG GLN A 131 13.070 27.656 78.590 1.00 0.00 ATOM 995 CD GLN A 131 12.004 26.966 79.410 1.00 0.00 ATOM 996 OE1 GLN A 131 12.254 25.935 80.050 1.00 0.00 ATOM 997 NE2 GLN A 131 10.796 27.531 79.398 1.00 0.00 ATOM 998 O GLN A 131 16.542 28.104 77.958 1.00 0.00 ATOM 999 C GLN A 131 15.591 28.428 77.235 1.00 0.00 ATOM 1000 N ALA A 132 15.248 29.693 77.007 1.00 0.00 ATOM 1001 CA ALA A 132 16.011 30.815 77.535 1.00 0.00 ATOM 1002 CB ALA A 132 16.600 31.629 76.384 1.00 0.00 ATOM 1003 O ALA A 132 14.182 32.273 78.086 1.00 0.00 ATOM 1004 C ALA A 132 15.235 31.746 78.461 1.00 0.00 ATOM 1005 N TRP A 133 15.788 31.960 79.649 1.00 0.00 ATOM 1006 CA TRP A 133 15.135 32.758 80.688 1.00 0.00 ATOM 1007 CB TRP A 133 14.982 31.906 81.950 1.00 0.00 ATOM 1008 CG TRP A 133 14.320 32.631 83.083 1.00 0.00 ATOM 1009 CD1 TRP A 133 12.981 32.779 83.291 1.00 0.00 ATOM 1010 CD2 TRP A 133 14.971 33.308 84.165 1.00 0.00 ATOM 1011 CE2 TRP A 133 13.963 33.842 84.989 1.00 0.00 ATOM 1012 CE3 TRP A 133 16.310 33.515 84.518 1.00 0.00 ATOM 1013 NE1 TRP A 133 12.753 33.505 84.435 1.00 0.00 ATOM 1014 CZ2 TRP A 133 14.248 34.569 86.145 1.00 0.00 ATOM 1015 CZ3 TRP A 133 16.589 34.237 85.661 1.00 0.00 ATOM 1016 CH2 TRP A 133 15.567 34.756 86.463 1.00 0.00 ATOM 1017 O TRP A 133 17.172 33.757 81.449 1.00 0.00 ATOM 1018 C TRP A 133 16.017 33.936 81.065 1.00 0.00 ATOM 1019 N ARG A 134 15.473 35.140 80.997 1.00 0.00 ATOM 1020 CA ARG A 134 16.217 36.339 81.347 1.00 0.00 ATOM 1021 CB ARG A 134 16.772 37.002 80.046 1.00 0.00 ATOM 1022 CG ARG A 134 17.478 36.048 79.095 1.00 0.00 ATOM 1023 CD ARG A 134 17.600 36.646 77.704 1.00 0.00 ATOM 1024 NE ARG A 134 18.366 35.806 76.776 1.00 0.00 ATOM 1025 CZ ARG A 134 17.859 34.850 75.994 1.00 0.00 ATOM 1026 NH1 ARG A 134 16.561 34.563 76.004 1.00 0.00 ATOM 1027 NH2 ARG A 134 18.662 34.212 75.154 1.00 0.00 ATOM 1028 O ARG A 134 14.391 37.771 81.912 1.00 0.00 ATOM 1029 C ARG A 134 15.453 37.281 82.276 1.00 0.00 ATOM 1030 N GLU A 135 16.010 37.665 83.378 1.00 0.00 ATOM 1031 CA GLU A 135 15.326 38.563 84.302 1.00 0.00 ATOM 1032 CB GLU A 135 16.078 38.544 85.635 1.00 0.00 ATOM 1033 CG GLU A 135 15.432 39.388 86.722 1.00 0.00 ATOM 1034 CD GLU A 135 16.203 39.343 88.028 1.00 0.00 ATOM 1035 OE1 GLU A 135 17.265 38.688 88.066 1.00 0.00 ATOM 1036 OE2 GLU A 135 15.744 39.964 89.008 1.00 0.00 ATOM 1037 O GLU A 135 16.280 40.510 83.242 1.00 0.00 ATOM 1038 C GLU A 135 15.287 40.010 83.793 1.00 0.00 ATOM 1039 N ALA A 136 14.041 40.612 83.945 1.00 0.00 ATOM 1040 CA ALA A 136 13.841 41.975 83.428 1.00 0.00 ATOM 1041 CB ALA A 136 13.302 41.934 82.004 1.00 0.00 ATOM 1042 O ALA A 136 11.624 42.762 84.011 1.00 0.00 ATOM 1043 C ALA A 136 12.823 42.715 84.301 1.00 0.00 ATOM 1044 N ASN A 137 13.344 43.364 85.381 1.00 0.00 ATOM 1045 CA ASN A 137 12.516 44.144 86.313 1.00 0.00 ATOM 1046 CB ASN A 137 12.039 45.490 85.761 1.00 0.00 ATOM 1047 CG ASN A 137 11.278 46.336 86.776 1.00 0.00 ATOM 1048 ND2 ASN A 137 10.596 47.437 86.363 1.00 0.00 ATOM 1049 OD1 ASN A 137 11.219 46.110 87.995 1.00 0.00 ATOM 1050 O ASN A 137 10.203 43.653 86.372 1.00 0.00 ATOM 1051 C ASN A 137 11.325 43.244 86.606 1.00 0.00 ATOM 1052 N GLU A 138 11.661 42.023 87.184 1.00 0.00 ATOM 1053 CA GLU A 138 10.604 41.138 87.677 1.00 0.00 ATOM 1054 CB GLU A 138 9.592 41.927 88.487 1.00 0.00 ATOM 1055 CG GLU A 138 10.199 42.414 89.801 1.00 0.00 ATOM 1056 CD GLU A 138 9.451 43.560 90.476 1.00 0.00 ATOM 1057 OE1 GLU A 138 8.342 43.970 90.020 1.00 0.00 ATOM 1058 OE2 GLU A 138 10.016 44.068 91.475 1.00 0.00 ATOM 1059 O GLU A 138 9.591 39.164 86.817 1.00 0.00 ATOM 1060 C GLU A 138 9.828 40.352 86.631 1.00 0.00 ATOM 1061 N LEU A 139 9.384 41.037 85.550 1.00 0.00 ATOM 1062 CA LEU A 139 8.606 40.367 84.513 1.00 0.00 ATOM 1063 CB LEU A 139 7.717 41.406 83.827 1.00 0.00 ATOM 1064 CG LEU A 139 6.745 42.166 84.727 1.00 0.00 ATOM 1065 CD1 LEU A 139 5.983 43.216 83.929 1.00 0.00 ATOM 1066 CD2 LEU A 139 5.732 41.217 85.351 1.00 0.00 ATOM 1067 O LEU A 139 9.983 40.369 82.548 1.00 0.00 ATOM 1068 C LEU A 139 9.616 39.761 83.549 1.00 0.00 ATOM 1069 N SER A 140 10.097 38.571 83.879 1.00 0.00 ATOM 1070 CA SER A 140 11.130 37.921 83.094 1.00 0.00 ATOM 1071 CB SER A 140 11.658 36.688 83.825 1.00 0.00 ATOM 1072 OG SER A 140 10.668 35.677 83.903 1.00 0.00 ATOM 1073 O SER A 140 9.577 37.326 81.387 1.00 0.00 ATOM 1074 C SER A 140 10.750 37.507 81.691 1.00 0.00 ATOM 1075 N GLY A 141 11.764 37.435 80.829 1.00 0.00 ATOM 1076 CA GLY A 141 11.569 37.054 79.437 1.00 0.00 ATOM 1077 O GLY A 141 13.084 35.225 79.516 1.00 0.00 ATOM 1078 C GLY A 141 11.937 35.598 79.266 1.00 0.00 ATOM 1079 N ARG A 142 10.990 34.761 78.795 1.00 0.00 ATOM 1080 CA ARG A 142 11.285 33.347 78.605 1.00 0.00 ATOM 1081 CB ARG A 142 10.468 32.525 79.605 1.00 0.00 ATOM 1082 CG ARG A 142 10.678 31.024 79.493 1.00 0.00 ATOM 1083 CD ARG A 142 9.873 30.274 80.540 1.00 0.00 ATOM 1084 NE ARG A 142 10.372 30.517 81.893 1.00 0.00 ATOM 1085 CZ ARG A 142 9.695 30.231 83.000 1.00 0.00 ATOM 1086 NH1 ARG A 142 10.227 30.487 84.187 1.00 0.00 ATOM 1087 NH2 ARG A 142 8.488 29.687 82.920 1.00 0.00 ATOM 1088 O ARG A 142 9.707 33.105 76.835 1.00 0.00 ATOM 1089 C ARG A 142 10.841 32.865 77.238 1.00 0.00 ATOM 1090 N GLU A 143 11.769 32.308 76.497 1.00 0.00 ATOM 1091 CA GLU A 143 11.455 31.845 75.152 1.00 0.00 ATOM 1092 CB GLU A 143 12.246 32.652 74.120 1.00 0.00 ATOM 1093 CG GLU A 143 11.869 34.122 74.059 1.00 0.00 ATOM 1094 CD GLU A 143 12.645 34.881 73.006 1.00 0.00 ATOM 1095 OE1 GLU A 143 13.468 34.251 72.304 1.00 0.00 ATOM 1096 OE2 GLU A 143 12.433 36.107 72.876 1.00 0.00 ATOM 1097 O GLU A 143 12.962 29.979 75.282 1.00 0.00 ATOM 1098 C GLU A 143 11.825 30.386 75.005 1.00 0.00 ATOM 1099 N LEU A 144 10.892 29.609 74.542 1.00 0.00 ATOM 1100 CA LEU A 144 11.055 28.186 74.321 1.00 0.00 ATOM 1101 CB LEU A 144 9.855 27.423 74.887 1.00 0.00 ATOM 1102 CG LEU A 144 9.860 25.905 74.689 1.00 0.00 ATOM 1103 CD1 LEU A 144 11.017 25.270 75.447 1.00 0.00 ATOM 1104 CD2 LEU A 144 8.564 25.290 75.195 1.00 0.00 ATOM 1105 O LEU A 144 10.299 28.295 72.054 1.00 0.00 ATOM 1106 C LEU A 144 11.174 27.903 72.834 1.00 0.00 ATOM 1107 N MET A 145 12.278 27.258 72.444 1.00 0.00 ATOM 1108 CA MET A 145 12.464 26.863 71.059 1.00 0.00 ATOM 1109 CB MET A 145 13.890 26.355 70.830 1.00 0.00 ATOM 1110 CG MET A 145 14.190 25.969 69.392 1.00 0.00 ATOM 1111 SD MET A 145 15.876 25.366 69.172 1.00 0.00 ATOM 1112 CE MET A 145 16.794 26.901 69.221 1.00 0.00 ATOM 1113 O MET A 145 11.412 24.757 71.487 1.00 0.00 ATOM 1114 C MET A 145 11.470 25.747 70.762 1.00 0.00 ATOM 1115 N ARG A 146 10.630 25.961 69.752 1.00 0.00 ATOM 1116 CA ARG A 146 9.615 24.988 69.372 1.00 0.00 ATOM 1117 CB ARG A 146 8.297 25.279 70.094 1.00 0.00 ATOM 1118 CG ARG A 146 7.218 24.233 69.864 1.00 0.00 ATOM 1119 CD ARG A 146 5.977 24.529 70.690 1.00 0.00 ATOM 1120 NE ARG A 146 4.917 23.549 70.454 1.00 0.00 ATOM 1121 CZ ARG A 146 3.780 23.502 71.138 1.00 0.00 ATOM 1122 NH1 ARG A 146 2.871 22.581 70.855 1.00 0.00 ATOM 1123 NH2 ARG A 146 3.548 24.382 72.104 1.00 0.00 ATOM 1124 O ARG A 146 8.949 26.072 67.333 1.00 0.00 ATOM 1125 C ARG A 146 9.375 25.048 67.865 1.00 0.00 ATOM 1126 N ASP A 147 9.599 23.928 67.187 1.00 0.00 ATOM 1127 CA ASP A 147 9.412 23.825 65.745 1.00 0.00 ATOM 1128 CB ASP A 147 7.915 23.723 65.420 1.00 0.00 ATOM 1129 CG ASP A 147 7.262 22.475 66.016 1.00 0.00 ATOM 1130 OD1 ASP A 147 7.804 21.372 65.805 1.00 0.00 ATOM 1131 OD2 ASP A 147 6.216 22.593 66.702 1.00 0.00 ATOM 1132 O ASP A 147 9.517 25.489 64.019 1.00 0.00 ATOM 1133 C ASP A 147 10.116 24.898 64.915 1.00 0.00 ATOM 1134 N GLY A 148 11.347 25.088 65.220 1.00 0.00 ATOM 1135 CA GLY A 148 12.098 26.064 64.449 1.00 0.00 ATOM 1136 O GLY A 148 12.676 28.371 64.566 1.00 0.00 ATOM 1137 C GLY A 148 11.887 27.494 64.909 1.00 0.00 ATOM 1138 N GLU A 149 10.823 27.763 65.717 1.00 0.00 ATOM 1139 CA GLU A 149 10.557 29.113 66.199 1.00 0.00 ATOM 1140 CB GLU A 149 9.110 29.309 65.747 1.00 0.00 ATOM 1141 CG GLU A 149 8.917 29.269 64.239 1.00 0.00 ATOM 1142 CD GLU A 149 9.598 30.426 63.536 1.00 0.00 ATOM 1143 OE1 GLU A 149 9.941 31.415 64.217 1.00 0.00 ATOM 1144 OE2 GLU A 149 9.786 30.348 62.301 1.00 0.00 ATOM 1145 O GLU A 149 11.060 28.385 68.420 1.00 0.00 ATOM 1146 C GLU A 149 10.641 29.294 67.706 1.00 0.00 ATOM 1147 N TRP A 150 10.271 30.535 68.219 1.00 0.00 ATOM 1148 CA TRP A 150 10.302 30.788 69.652 1.00 0.00 ATOM 1149 CB TRP A 150 11.257 31.935 69.961 1.00 0.00 ATOM 1150 CG TRP A 150 12.666 31.613 69.630 1.00 0.00 ATOM 1151 CD1 TRP A 150 13.354 31.968 68.499 1.00 0.00 ATOM 1152 CD2 TRP A 150 13.552 30.859 70.438 1.00 0.00 ATOM 1153 CE2 TRP A 150 14.793 30.789 69.739 1.00 0.00 ATOM 1154 CE3 TRP A 150 13.438 30.234 71.686 1.00 0.00 ATOM 1155 NE1 TRP A 150 14.637 31.466 68.576 1.00 0.00 ATOM 1156 CZ2 TRP A 150 15.897 30.094 70.288 1.00 0.00 ATOM 1157 CZ3 TRP A 150 14.533 29.552 72.209 1.00 0.00 ATOM 1158 CH2 TRP A 150 15.743 29.487 71.499 1.00 0.00 ATOM 1159 O TRP A 150 8.275 32.045 69.808 1.00 0.00 ATOM 1160 C TRP A 150 8.929 31.094 70.225 1.00 0.00 ATOM 1161 N LEU A 151 8.516 30.307 71.210 1.00 0.00 ATOM 1162 CA LEU A 151 7.242 30.528 71.882 1.00 0.00 ATOM 1163 CB LEU A 151 6.595 29.188 72.241 1.00 0.00 ATOM 1164 CG LEU A 151 5.256 29.255 72.980 1.00 0.00 ATOM 1165 CD1 LEU A 151 4.177 29.842 72.082 1.00 0.00 ATOM 1166 CD2 LEU A 151 4.810 27.869 73.413 1.00 0.00 ATOM 1167 O LEU A 151 8.487 30.976 73.887 1.00 0.00 ATOM 1168 C LEU A 151 7.581 31.339 73.135 1.00 0.00 ATOM 1169 N VAL A 152 6.867 32.424 73.365 1.00 0.00 ATOM 1170 CA VAL A 152 7.121 33.291 74.505 1.00 0.00 ATOM 1171 CB VAL A 152 7.062 34.744 73.960 1.00 0.00 ATOM 1172 CG1 VAL A 152 7.220 35.712 75.108 1.00 0.00 ATOM 1173 CG2 VAL A 152 8.120 34.964 72.875 1.00 0.00 ATOM 1174 O VAL A 152 4.943 33.006 75.466 1.00 0.00 ATOM 1175 C VAL A 152 6.156 33.086 75.658 1.00 0.00 ATOM 1176 N THR A 153 6.757 33.003 76.853 1.00 0.00 ATOM 1177 CA THR A 153 5.931 32.866 78.068 1.00 0.00 ATOM 1178 CB THR A 153 5.891 31.377 78.516 1.00 0.00 ATOM 1179 CG2 THR A 153 5.389 30.478 77.395 1.00 0.00 ATOM 1180 OG1 THR A 153 7.219 30.977 78.883 1.00 0.00 ATOM 1181 O THR A 153 7.556 34.148 79.286 1.00 0.00 ATOM 1182 C THR A 153 6.362 33.819 79.164 1.00 0.00 ATOM 1183 N ASP A 154 5.349 34.226 79.944 1.00 0.00 ATOM 1184 CA ASP A 154 5.536 35.030 81.178 1.00 0.00 ATOM 1185 CB ASP A 154 4.944 34.084 82.360 1.00 0.00 ATOM 1186 CG ASP A 154 4.999 34.723 83.734 1.00 0.00 ATOM 1187 OD1 ASP A 154 4.393 35.800 83.919 1.00 0.00 ATOM 1188 OD2 ASP A 154 5.649 34.145 84.634 1.00 0.00 ATOM 1189 O ASP A 154 7.113 36.819 81.726 1.00 0.00 ATOM 1190 C ASP A 154 6.256 36.363 80.910 1.00 0.00 ENDMDL EXPDTA 2iabA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2iabA ATOM 1 C THR 2 -12.752 31.807 37.201 1.00 0.00 ATOM 2 N THR A 3 15.593 46.412 85.492 1.00 0.00 ATOM 3 CA THR A 3 15.082 45.279 84.705 1.00 0.00 ATOM 4 O THR A 3 13.836 46.491 83.021 1.00 0.00 ATOM 5 C THR A 3 14.797 45.748 83.257 1.00 0.00 ATOM 6 N PRO A 4 15.639 45.337 82.292 1.00 0.00 ATOM 7 CA PRO A 4 15.375 45.711 80.904 1.00 0.00 ATOM 8 CB PRO A 4 16.608 45.176 80.142 1.00 0.00 ATOM 9 CG PRO A 4 17.630 44.849 81.202 1.00 0.00 ATOM 10 CD PRO A 4 16.832 44.481 82.406 1.00 0.00 ATOM 11 O PRO A 4 13.829 43.871 80.790 1.00 0.00 ATOM 12 C PRO A 4 14.128 45.010 80.356 1.00 0.00 ATOM 13 N PRO A 5 13.439 45.642 79.372 1.00 0.00 ATOM 14 CA PRO A 5 12.270 44.997 78.754 1.00 0.00 ATOM 15 CB PRO A 5 11.899 45.953 77.608 1.00 0.00 ATOM 16 CG PRO A 5 13.171 46.715 77.351 1.00 0.00 ATOM 17 CD PRO A 5 13.717 46.938 78.733 1.00 0.00 ATOM 18 O PRO A 5 13.770 43.310 77.884 1.00 0.00 ATOM 19 C PRO A 5 12.605 43.585 78.225 1.00 0.00 ATOM 20 N ALA A 6 11.594 42.712 78.213 1.00 0.00 ATOM 21 CA ALA A 6 11.721 41.342 77.734 1.00 0.00 ATOM 22 CB ALA A 6 10.355 40.631 77.718 1.00 0.00 ATOM 23 O ALA A 6 11.861 42.114 75.453 1.00 0.00 ATOM 24 C ALA A 6 12.311 41.342 76.329 1.00 0.00 ATOM 25 N ARG A 7 13.302 40.470 76.117 1.00 0.00 ATOM 26 CA ARG A 7 13.890 40.310 74.791 1.00 0.00 ATOM 27 CB ARG A 7 15.206 39.500 74.859 1.00 0.00 ATOM 28 CG ARG A 7 16.344 40.129 75.662 1.00 0.00 ATOM 29 CD ARG A 7 17.444 39.105 75.919 1.00 0.00 ATOM 30 NE ARG A 7 16.999 38.004 76.796 1.00 0.00 ATOM 31 CZ ARG A 7 17.663 36.870 77.015 1.00 0.00 ATOM 32 NH1 ARG A 7 18.851 36.654 76.458 1.00 0.00 ATOM 33 NH2 ARG A 7 17.150 35.954 77.842 1.00 0.00 ATOM 34 O ARG A 7 12.191 38.628 74.299 1.00 0.00 ATOM 35 C ARG A 7 12.916 39.574 73.858 1.00 0.00 ATOM 36 N THR A 8 12.924 40.004 72.580 1.00 0.00 ATOM 37 CA THR A 8 12.306 39.232 71.473 1.00 0.00 ATOM 38 CB THR A 8 12.378 39.965 70.095 1.00 0.00 ATOM 39 CG2 THR A 8 12.116 41.438 70.250 1.00 0.00 ATOM 40 OG1 THR A 8 13.656 39.728 69.476 1.00 0.00 ATOM 41 O THR A 8 14.090 37.577 71.656 1.00 0.00 ATOM 42 C THR A 8 12.947 37.845 71.249 1.00 0.00 ATOM 43 N ALA A 9 12.206 36.987 70.558 1.00 0.00 ATOM 44 CA ALA A 9 12.651 35.616 70.234 1.00 0.00 ATOM 45 CB ALA A 9 11.516 34.850 69.514 1.00 0.00 ATOM 46 O ALA A 9 14.854 34.806 69.714 1.00 0.00 ATOM 47 C ALA A 9 13.944 35.560 69.391 1.00 0.00 ATOM 48 N LYS A 10 14.018 36.349 68.328 1.00 0.00 ATOM 49 CA LYS A 10 15.252 36.481 67.538 1.00 0.00 ATOM 50 CB LYS A 10 15.040 37.418 66.354 1.00 0.00 ATOM 51 CG LYS A 10 16.094 37.310 65.241 1.00 0.00 ATOM 52 CD LYS A 10 15.762 38.280 64.097 1.00 0.00 ATOM 53 CE LYS A 10 16.952 38.515 63.174 1.00 0.00 ATOM 54 O LYS A 10 17.525 36.347 68.318 1.00 0.00 ATOM 55 C LYS A 10 16.459 36.929 68.402 1.00 0.00 ATOM 56 N GLN A 11 16.283 37.927 69.255 1.00 0.00 ATOM 57 CA GLN A 11 17.407 38.405 70.082 1.00 0.00 ATOM 58 CB GLN A 11 17.141 39.809 70.662 1.00 0.00 ATOM 59 CG GLN A 11 18.306 40.829 70.512 1.00 0.00 ATOM 60 CD GLN A 11 19.469 40.622 71.477 1.00 0.00 ATOM 61 OE1 GLN A 11 19.411 41.001 72.661 1.00 0.00 ATOM 62 NE2 GLN A 11 20.553 40.051 70.961 1.00 0.00 ATOM 63 O GLN A 11 18.912 37.251 71.566 1.00 0.00 ATOM 64 C GLN A 11 17.732 37.417 71.208 1.00 0.00 ATOM 65 N ARG A 12 16.708 36.764 71.772 1.00 0.00 ATOM 66 CA ARG A 12 16.949 35.708 72.737 1.00 0.00 ATOM 67 CB ARG A 12 15.645 35.143 73.369 1.00 0.00 ATOM 68 CG ARG A 12 15.043 36.042 74.432 1.00 0.00 ATOM 69 CD ARG A 12 14.076 35.296 75.368 1.00 0.00 ATOM 70 NE ARG A 12 12.894 36.135 75.646 1.00 0.00 ATOM 71 CZ ARG A 12 12.033 35.883 76.613 1.00 0.00 ATOM 72 NH1 ARG A 12 12.202 34.806 77.388 1.00 0.00 ATOM 73 NH2 ARG A 12 10.999 36.682 76.806 1.00 0.00 ATOM 74 O ARG A 12 18.564 33.945 72.793 1.00 0.00 ATOM 75 C ARG A 12 17.728 34.572 72.126 1.00 0.00 ATOM 76 N ILE A 13 17.432 34.240 70.883 1.00 0.00 ATOM 77 CA ILE A 13 18.099 33.119 70.281 1.00 0.00 ATOM 78 CB ILE A 13 17.424 32.644 69.001 1.00 0.00 ATOM 79 CG1 ILE A 13 16.142 31.854 69.352 1.00 0.00 ATOM 80 CG2 ILE A 13 18.354 31.665 68.250 1.00 0.00 ATOM 81 CD1 ILE A 13 15.196 31.683 68.187 1.00 0.00 ATOM 82 O ILE A 13 20.462 32.648 70.411 1.00 0.00 ATOM 83 C ILE A 13 19.582 33.460 70.081 1.00 0.00 ATOM 84 N GLN A 14 19.845 34.642 69.508 1.00 0.00 ATOM 85 CA GLN A 14 21.224 35.096 69.331 1.00 0.00 ATOM 86 CB GLN A 14 21.300 36.457 68.641 1.00 0.00 ATOM 87 CG GLN A 14 22.754 36.761 68.190 1.00 0.00 ATOM 88 CD GLN A 14 23.434 35.578 67.442 1.00 0.00 ATOM 89 OE1 GLN A 14 22.962 35.165 66.356 1.00 0.00 ATOM 90 NE2 GLN A 14 24.537 35.014 68.040 1.00 0.00 ATOM 91 O GLN A 14 23.104 34.723 70.717 1.00 0.00 ATOM 92 C GLN A 14 21.975 35.168 70.657 1.00 0.00 ATOM 93 N ASP A 15 21.350 35.708 71.696 1.00 0.00 ATOM 94 CA ASP A 15 21.943 35.763 73.043 1.00 0.00 ATOM 95 CB ASP A 15 21.041 36.446 74.064 1.00 0.00 ATOM 96 CG ASP A 15 20.925 37.934 73.878 1.00 0.00 ATOM 97 OD1 ASP A 15 21.647 38.526 73.067 1.00 0.00 ATOM 98 OD2 ASP A 15 20.054 38.501 74.561 1.00 0.00 ATOM 99 O ASP A 15 23.227 34.071 74.228 1.00 0.00 ATOM 100 C ASP A 15 22.190 34.352 73.596 1.00 0.00 ATOM 101 N THR A 16 21.240 33.467 73.373 1.00 0.00 ATOM 102 CA THR A 16 21.383 32.076 73.823 1.00 0.00 ATOM 103 CB THR A 16 20.061 31.301 73.641 1.00 0.00 ATOM 104 CG2 THR A 16 20.210 29.848 73.985 1.00 0.00 ATOM 105 OG1 THR A 16 19.031 31.934 74.444 1.00 0.00 ATOM 106 O THR A 16 23.365 30.719 73.760 1.00 0.00 ATOM 107 C THR A 16 22.551 31.375 73.123 1.00 0.00 ATOM 108 N LEU A 17 22.634 31.524 71.811 1.00 0.00 ATOM 109 CA LEU A 17 23.754 31.001 71.058 1.00 0.00 ATOM 110 CB LEU A 17 23.598 31.332 69.562 1.00 0.00 ATOM 111 CG LEU A 17 22.465 30.607 68.826 1.00 0.00 ATOM 112 CD1 LEU A 17 22.430 31.100 67.402 1.00 0.00 ATOM 113 CD2 LEU A 17 22.659 29.107 68.923 1.00 0.00 ATOM 114 O LEU A 17 26.056 30.845 71.680 1.00 0.00 ATOM 115 C LEU A 17 25.078 31.565 71.575 1.00 0.00 ATOM 116 N ASN A 18 25.141 32.855 71.859 1.00 0.00 ATOM 117 CA ASN A 18 26.397 33.425 72.420 1.00 0.00 ATOM 118 CB ASN A 18 26.291 34.947 72.611 1.00 0.00 ATOM 119 CG ASN A 18 26.136 35.743 71.274 1.00 0.00 ATOM 120 ND2 ASN A 18 25.696 36.989 71.394 1.00 0.00 ATOM 121 OD1 ASN A 18 26.409 35.238 70.175 1.00 0.00 ATOM 122 O ASN A 18 27.909 32.539 74.087 1.00 0.00 ATOM 123 C ASN A 18 26.758 32.773 73.786 1.00 0.00 ATOM 124 N ARG A 19 25.754 32.542 74.621 1.00 0.00 ATOM 125 CA ARG A 19 25.945 31.945 75.937 1.00 0.00 ATOM 126 CB ARG A 19 24.636 31.993 76.736 1.00 0.00 ATOM 127 CG ARG A 19 24.582 31.159 78.070 1.00 0.00 ATOM 128 CD ARG A 19 25.523 31.685 79.089 1.00 0.00 ATOM 129 NE ARG A 19 25.103 32.982 79.568 1.00 0.00 ATOM 130 CZ ARG A 19 25.865 33.821 80.243 1.00 0.00 ATOM 131 NH1 ARG A 19 27.117 33.547 80.507 1.00 0.00 ATOM 132 NH2 ARG A 19 25.359 34.966 80.665 1.00 0.00 ATOM 133 O ARG A 19 27.423 30.121 76.417 1.00 0.00 ATOM 134 C ARG A 19 26.460 30.515 75.759 1.00 0.00 ATOM 135 N LEU A 20 25.869 29.771 74.813 1.00 0.00 ATOM 136 CA LEU A 20 26.285 28.388 74.562 1.00 0.00 ATOM 137 CB LEU A 20 25.334 27.665 73.601 1.00 0.00 ATOM 138 CG LEU A 20 23.848 27.511 74.069 1.00 0.00 ATOM 139 CD1 LEU A 20 23.057 26.733 73.083 1.00 0.00 ATOM 140 CD2 LEU A 20 23.782 26.839 75.454 1.00 0.00 ATOM 141 O LEU A 20 28.450 27.410 74.456 1.00 0.00 ATOM 142 C LEU A 20 27.729 28.336 74.081 1.00 0.00 ATOM 143 N GLU A 21 28.153 29.310 73.273 1.00 0.00 ATOM 144 CA GLU A 21 29.498 29.374 72.749 1.00 0.00 ATOM 145 CB GLU A 21 29.612 30.365 71.581 1.00 0.00 ATOM 146 CG GLU A 21 28.862 29.904 70.283 1.00 0.00 ATOM 147 CD GLU A 21 29.539 28.725 69.483 1.00 0.00 ATOM 148 OE1 GLU A 21 30.621 28.265 69.889 1.00 0.00 ATOM 149 OE2 GLU A 21 28.964 28.243 68.435 1.00 0.00 ATOM 150 O GLU A 21 31.627 29.410 73.848 1.00 0.00 ATOM 151 C GLU A 21 30.465 29.801 73.846 1.00 0.00 ATOM 152 N LEU A 22 29.981 30.593 74.801 1.00 0.00 ATOM 153 CA LEU A 22 30.856 31.118 75.842 1.00 0.00 ATOM 154 CB LEU A 22 30.300 32.449 76.317 1.00 0.00 ATOM 155 CG LEU A 22 31.150 33.252 77.307 1.00 0.00 ATOM 156 CD1 LEU A 22 32.412 33.769 76.664 1.00 0.00 ATOM 157 CD2 LEU A 22 30.360 34.415 77.851 1.00 0.00 ATOM 158 O LEU A 22 32.205 30.009 77.475 1.00 0.00 ATOM 159 C LEU A 22 31.093 30.203 77.062 1.00 0.00 ATOM 160 N ASP A 23 30.036 29.685 77.660 1.00 0.00 ATOM 161 CA ASP A 23 30.156 28.949 78.903 1.00 0.00 ATOM 162 CB ASP A 23 28.788 28.761 79.554 1.00 0.00 ATOM 163 CG ASP A 23 28.349 29.990 80.346 1.00 0.00 ATOM 164 OD1 ASP A 23 28.788 31.114 80.005 1.00 0.00 ATOM 165 OD2 ASP A 23 27.575 29.830 81.309 1.00 0.00 ATOM 166 O ASP A 23 30.882 27.039 77.595 1.00 0.00 ATOM 167 C ASP A 23 30.888 27.607 78.682 1.00 0.00 ATOM 168 N VAL A 24 31.571 27.175 79.703 1.00 0.00 ATOM 169 CA VAL A 24 32.337 25.948 79.664 1.00 0.00 ATOM 170 CB VAL A 24 33.677 26.133 80.432 1.00 0.00 ATOM 171 CG1 VAL A 24 34.535 24.865 80.331 1.00 0.00 ATOM 172 CG2 VAL A 24 34.438 27.281 79.850 1.00 0.00 ATOM 173 O VAL A 24 31.769 23.617 79.828 1.00 0.00 ATOM 174 C VAL A 24 31.584 24.778 80.269 1.00 0.00 ATOM 175 N ASP A 25 30.819 25.069 81.318 1.00 0.00 ATOM 176 CA ASP A 25 30.141 24.049 82.109 1.00 0.00 ATOM 177 CB ASP A 25 30.466 24.169 83.599 1.00 0.00 ATOM 178 CG ASP A 25 31.937 24.159 83.894 1.00 0.00 ATOM 179 OD1 ASP A 25 32.696 23.392 83.271 1.00 0.00 ATOM 180 OD2 ASP A 25 32.346 24.973 84.744 1.00 0.00 ATOM 181 O ASP A 25 28.012 25.197 81.779 1.00 0.00 ATOM 182 C ASP A 25 28.606 24.119 81.977 1.00 0.00 ATOM 183 N ALA A 26 28.002 22.947 82.146 1.00 0.00 ATOM 184 CA ALA A 26 26.566 22.739 82.281 1.00 0.00 ATOM 185 CB ALA A 26 26.002 22.082 81.072 1.00 0.00 ATOM 186 O ALA A 26 26.949 20.867 83.753 1.00 0.00 ATOM 187 C ALA A 26 26.241 21.850 83.449 1.00 0.00 ATOM 188 N TRP A 27 25.106 22.149 84.057 1.00 0.00 ATOM 189 CA TRP A 27 24.507 21.240 85.022 1.00 0.00 ATOM 190 CB TRP A 27 23.497 21.959 85.930 1.00 0.00 ATOM 191 CG TRP A 27 24.093 22.903 86.942 1.00 0.00 ATOM 192 CD1 TRP A 27 24.334 24.231 86.768 1.00 0.00 ATOM 193 CD2 TRP A 27 24.557 22.587 88.267 1.00 0.00 ATOM 194 CE2 TRP A 27 25.061 23.771 88.823 1.00 0.00 ATOM 195 CE3 TRP A 27 24.633 21.400 89.020 1.00 0.00 ATOM 196 NE1 TRP A 27 24.898 24.762 87.896 1.00 0.00 ATOM 197 CZ2 TRP A 27 25.585 23.830 90.110 1.00 0.00 ATOM 198 CZ3 TRP A 27 25.153 21.449 90.307 1.00 0.00 ATOM 199 CH2 TRP A 27 25.620 22.672 90.846 1.00 0.00 ATOM 200 O TRP A 27 22.953 20.381 83.391 1.00 0.00 ATOM 201 C TRP A 27 23.821 20.131 84.209 1.00 0.00 ATOM 202 N VAL A 28 24.209 18.892 84.448 1.00 0.00 ATOM 203 CA VAL A 28 23.767 17.768 83.626 1.00 0.00 ATOM 204 CB VAL A 28 24.932 16.962 83.122 1.00 0.00 ATOM 205 CG1 VAL A 28 24.472 15.777 82.331 1.00 0.00 ATOM 206 CG2 VAL A 28 25.840 17.876 82.260 1.00 0.00 ATOM 207 O VAL A 28 23.259 16.293 85.479 1.00 0.00 ATOM 208 C VAL A 28 22.840 16.925 84.488 1.00 0.00 ATOM 209 N SER A 29 21.566 16.917 84.083 1.00 0.00 ATOM 210 CA SER A 29 20.544 16.238 84.805 1.00 0.00 ATOM 211 CB SER A 29 19.367 17.197 84.974 1.00 0.00 ATOM 212 OG SER A 29 18.392 16.665 85.819 1.00 0.00 ATOM 213 O SER A 29 19.651 15.005 82.876 1.00 0.00 ATOM 214 C SER A 29 20.092 14.976 84.060 1.00 0.00 ATOM 215 N THR A 30 20.148 13.873 84.778 1.00 0.00 ATOM 216 CA THR A 30 19.835 12.532 84.251 1.00 0.00 ATOM 217 CB THR A 30 21.119 11.684 83.850 1.00 0.00 ATOM 218 CG2 THR A 30 21.929 12.375 82.757 1.00 0.00 ATOM 219 OG1 THR A 30 21.960 11.423 84.998 1.00 0.00 ATOM 220 O THR A 30 18.747 12.239 86.394 1.00 0.00 ATOM 221 C THR A 30 18.994 11.772 85.260 1.00 0.00 ATOM 222 N ALA A 31 18.526 10.587 84.833 1.00 0.00 ATOM 223 CA ALA A 31 17.696 9.734 85.654 1.00 0.00 ATOM 224 CB ALA A 31 16.238 9.998 85.372 1.00 0.00 ATOM 225 O ALA A 31 18.329 7.924 84.229 1.00 0.00 ATOM 226 C ALA A 31 18.035 8.273 85.366 1.00 0.00 ATOM 227 N GLY A 32 18.040 7.449 86.405 1.00 0.00 ATOM 228 CA GLY A 32 18.166 5.983 86.227 1.00 0.00 ATOM 229 O GLY A 32 15.856 5.946 85.473 1.00 0.00 ATOM 230 C GLY A 32 16.976 5.384 85.495 1.00 0.00 ATOM 231 N ALA A 33 17.230 4.207 84.927 1.00 0.00 ATOM 232 CA ALA A 33 16.286 3.481 84.102 1.00 0.00 ATOM 233 CB ALA A 33 16.980 2.327 83.374 1.00 0.00 ATOM 234 O ALA A 33 14.042 2.836 84.392 1.00 0.00 ATOM 235 C ALA A 33 15.133 2.966 84.926 1.00 0.00 ATOM 236 N ASP A 34 15.364 2.758 86.221 1.00 0.00 ATOM 237 CA ASP A 34 14.367 2.178 87.096 1.00 0.00 ATOM 238 CB ASP A 34 15.042 1.135 88.009 1.00 0.00 ATOM 239 CG ASP A 34 15.724 -0.013 87.206 1.00 0.00 ATOM 240 OD1 ASP A 34 15.112 -0.553 86.243 1.00 0.00 ATOM 241 OD2 ASP A 34 16.882 -0.373 87.539 1.00 0.00 ATOM 242 O ASP A 34 12.654 2.696 88.703 1.00 0.00 ATOM 243 C ASP A 34 13.459 3.142 87.909 1.00 0.00 ATOM 244 N GLY A 35 13.540 4.448 87.720 1.00 0.00 ATOM 245 CA GLY A 35 12.454 5.318 88.199 1.00 0.00 ATOM 246 O GLY A 35 13.260 5.312 90.448 1.00 0.00 ATOM 247 C GLY A 35 12.677 5.932 89.562 1.00 0.00 ATOM 248 N GLY A 36 12.193 7.157 89.724 1.00 0.00 ATOM 249 CA GLY A 36 12.553 8.008 90.868 1.00 0.00 ATOM 250 O GLY A 36 14.308 7.944 92.467 1.00 0.00 ATOM 251 C GLY A 36 14.019 7.995 91.285 1.00 0.00 ATOM 252 N ALA A 37 14.944 8.052 90.329 1.00 0.00 ATOM 253 CA ALA A 37 16.372 8.107 90.642 1.00 0.00 ATOM 254 CB ALA A 37 17.031 6.764 90.288 1.00 0.00 ATOM 255 O ALA A 37 17.891 9.059 88.957 1.00 0.00 ATOM 256 C ALA A 37 17.081 9.271 89.905 1.00 0.00 ATOM 257 N PRO A 38 16.875 10.509 90.390 1.00 0.00 ATOM 258 CA PRO A 38 17.536 11.655 89.756 1.00 0.00 ATOM 259 CB PRO A 38 16.831 12.859 90.418 1.00 0.00 ATOM 260 CG PRO A 38 16.457 12.340 91.771 1.00 0.00 ATOM 261 CD PRO A 38 16.035 10.922 91.532 1.00 0.00 ATOM 262 O PRO A 38 19.525 11.233 91.040 1.00 0.00 ATOM 263 C PRO A 38 19.045 11.705 90.016 1.00 0.00 ATOM 264 N TYR A 39 19.776 12.325 89.108 1.00 0.00 ATOM 265 CA TYR A 39 21.196 12.559 89.299 1.00 0.00 ATOM 266 CB TYR A 39 22.016 11.404 88.676 1.00 0.00 ATOM 267 CG TYR A 39 23.428 11.378 89.178 1.00 0.00 ATOM 268 CD1 TYR A 39 23.769 10.760 90.401 1.00 0.00 ATOM 269 CD2 TYR A 39 24.404 12.015 88.490 1.00 0.00 ATOM 270 CE1 TYR A 39 25.094 10.801 90.882 1.00 0.00 ATOM 271 CE2 TYR A 39 25.714 12.050 88.948 1.00 0.00 ATOM 272 CZ TYR A 39 26.050 11.467 90.129 1.00 0.00 ATOM 273 OH TYR A 39 27.362 11.517 90.533 1.00 0.00 ATOM 274 O TYR A 39 21.026 14.202 87.570 1.00 0.00 ATOM 275 C TYR A 39 21.529 13.901 88.658 1.00 0.00 ATOM 276 N LEU A 40 22.360 14.689 89.349 1.00 0.00 ATOM 277 CA LEU A 40 22.769 15.986 88.903 1.00 0.00 ATOM 278 CB LEU A 40 21.898 17.037 89.593 1.00 0.00 ATOM 279 CG LEU A 40 22.156 18.494 89.221 1.00 0.00 ATOM 280 CD1 LEU A 40 21.735 18.742 87.825 1.00 0.00 ATOM 281 CD2 LEU A 40 21.375 19.380 90.181 1.00 0.00 ATOM 282 O LEU A 40 24.693 16.008 90.346 1.00 0.00 ATOM 283 C LEU A 40 24.229 16.220 89.206 1.00 0.00 ATOM 284 N VAL A 41 24.962 16.677 88.188 1.00 0.00 ATOM 285 CA VAL A 41 26.372 17.052 88.347 1.00 0.00 ATOM 286 CB VAL A 41 27.312 15.763 88.386 1.00 0.00 ATOM 287 CG1 VAL A 41 27.321 15.054 87.020 1.00 0.00 ATOM 288 CG2 VAL A 41 28.698 16.119 88.716 1.00 0.00 ATOM 289 O VAL A 41 26.206 17.935 86.128 1.00 0.00 ATOM 290 C VAL A 41 26.750 18.031 87.224 1.00 0.00 ATOM 291 N PRO A 42 27.633 19.005 87.490 1.00 0.00 ATOM 292 CA PRO A 42 28.181 19.772 86.339 1.00 0.00 ATOM 293 CB PRO A 42 28.752 21.041 86.971 1.00 0.00 ATOM 294 CG PRO A 42 28.482 20.963 88.370 1.00 0.00 ATOM 295 CD PRO A 42 28.171 19.527 88.750 1.00 0.00 ATOM 296 O PRO A 42 30.122 18.426 86.115 1.00 0.00 ATOM 297 C PRO A 42 29.248 19.055 85.549 1.00 0.00 ATOM 298 N LEU A 43 29.169 19.140 84.237 1.00 0.00 ATOM 299 CA LEU A 43 30.247 18.677 83.394 1.00 0.00 ATOM 300 CB LEU A 43 29.805 17.430 82.603 1.00 0.00 ATOM 301 CG LEU A 43 29.384 16.170 83.419 1.00 0.00 ATOM 302 CD1 LEU A 43 28.823 15.186 82.418 1.00 0.00 ATOM 303 CD2 LEU A 43 30.485 15.564 84.189 1.00 0.00 ATOM 304 O LEU A 43 29.719 20.673 82.103 1.00 0.00 ATOM 305 C LEU A 43 30.561 19.807 82.411 1.00 0.00 ATOM 306 N SER A 44 31.733 19.724 81.845 1.00 0.00 ATOM 307 CA SER A 44 32.156 20.573 80.745 1.00 0.00 ATOM 308 CB SER A 44 33.661 20.563 80.686 1.00 0.00 ATOM 309 OG SER A 44 34.171 21.221 81.837 1.00 0.00 ATOM 310 O SER A 44 31.211 18.979 79.260 1.00 0.00 ATOM 311 C SER A 44 31.513 20.137 79.432 1.00 0.00 ATOM 312 N TYR A 45 31.320 21.078 78.501 1.00 0.00 ATOM 313 CA TYR A 45 30.719 20.766 77.243 1.00 0.00 ATOM 314 CB TYR A 45 29.209 21.001 77.275 1.00 0.00 ATOM 315 CG TYR A 45 28.829 22.464 77.243 1.00 0.00 ATOM 316 CD1 TYR A 45 28.684 23.153 76.029 1.00 0.00 ATOM 317 CD2 TYR A 45 28.586 23.163 78.434 1.00 0.00 ATOM 318 CE1 TYR A 45 28.363 24.529 76.000 1.00 0.00 ATOM 319 CE2 TYR A 45 28.256 24.544 78.401 1.00 0.00 ATOM 320 CZ TYR A 45 28.160 25.204 77.180 1.00 0.00 ATOM 321 OH TYR A 45 27.839 26.547 77.164 1.00 0.00 ATOM 322 O TYR A 45 32.001 22.567 76.330 1.00 0.00 ATOM 323 C TYR A 45 31.357 21.553 76.123 1.00 0.00 ATOM 324 N LEU A 46 31.176 21.024 74.934 1.00 0.00 ATOM 325 CA LEU A 46 31.445 21.745 73.694 1.00 0.00 ATOM 326 CB LEU A 46 32.460 21.039 72.876 1.00 0.00 ATOM 327 CG LEU A 46 32.702 21.583 71.465 1.00 0.00 ATOM 328 CD1 LEU A 46 33.431 22.950 71.486 1.00 0.00 ATOM 329 CD2 LEU A 46 33.495 20.541 70.646 1.00 0.00 ATOM 330 O LEU A 46 29.516 20.836 72.626 1.00 0.00 ATOM 331 C LEU A 46 30.165 21.852 72.909 1.00 0.00 ATOM 332 N TRP A 47 29.819 23.082 72.540 1.00 0.00 ATOM 333 CA TRP A 47 28.720 23.350 71.620 1.00 0.00 ATOM 334 CB TRP A 47 27.824 24.450 72.198 1.00 0.00 ATOM 335 CG TRP A 47 26.804 25.106 71.260 1.00 0.00 ATOM 336 CD1 TRP A 47 26.904 26.376 70.706 1.00 0.00 ATOM 337 CD2 TRP A 47 25.548 24.600 70.854 1.00 0.00 ATOM 338 CE2 TRP A 47 24.925 25.596 70.057 1.00 0.00 ATOM 339 CE3 TRP A 47 24.871 23.400 71.064 1.00 0.00 ATOM 340 NE1 TRP A 47 25.796 26.639 69.950 1.00 0.00 ATOM 341 CZ2 TRP A 47 23.700 25.396 69.455 1.00 0.00 ATOM 342 CZ3 TRP A 47 23.636 23.234 70.486 1.00 0.00 ATOM 343 CH2 TRP A 47 23.065 24.218 69.681 1.00 0.00 ATOM 344 O TRP A 47 30.090 24.702 70.176 1.00 0.00 ATOM 345 C TRP A 47 29.260 23.795 70.253 1.00 0.00 ATOM 346 N ASP A 48 28.754 23.181 69.190 1.00 0.00 ATOM 347 CA ASP A 48 29.208 23.517 67.835 1.00 0.00 ATOM 348 CB ASP A 48 29.684 22.235 67.106 1.00 0.00 ATOM 349 CG ASP A 48 28.540 21.337 66.704 1.00 0.00 ATOM 350 OD1 ASP A 48 27.363 21.619 67.071 1.00 0.00 ATOM 351 OD2 ASP A 48 28.807 20.383 65.955 1.00 0.00 ATOM 352 O ASP A 48 28.382 24.360 65.717 1.00 0.00 ATOM 353 C ASP A 48 28.202 24.277 66.954 1.00 0.00 ATOM 354 N GLY A 49 27.121 24.782 67.556 1.00 0.00 ATOM 355 CA GLY A 49 26.048 25.391 66.774 1.00 0.00 ATOM 356 O GLY A 49 23.826 24.914 65.996 1.00 0.00 ATOM 357 C GLY A 49 24.880 24.473 66.503 1.00 0.00 ATOM 358 N GLU A 50 25.050 23.177 66.779 1.00 0.00 ATOM 359 CA GLU A 50 24.048 22.182 66.443 1.00 0.00 ATOM 360 CB GLU A 50 24.502 21.503 65.129 1.00 0.00 ATOM 361 CG GLU A 50 23.538 20.546 64.631 1.00 0.00 ATOM 362 CD GLU A 50 23.953 19.863 63.320 1.00 0.00 ATOM 363 OE1 GLU A 50 25.067 19.350 63.213 1.00 0.00 ATOM 364 OE2 GLU A 50 23.116 19.829 62.423 1.00 0.00 ATOM 365 O GLU A 50 22.679 20.850 67.900 1.00 0.00 ATOM 366 C GLU A 50 23.811 21.153 67.551 1.00 0.00 ATOM 367 N THR A 51 24.888 20.603 68.080 1.00 0.00 ATOM 368 CA THR A 51 24.865 19.634 69.175 1.00 0.00 ATOM 369 CB THR A 51 25.236 18.193 68.686 1.00 0.00 ATOM 370 CG2 THR A 51 24.326 17.692 67.633 1.00 0.00 ATOM 371 OG1 THR A 51 26.556 18.209 68.178 1.00 0.00 ATOM 372 O THR A 51 26.787 20.836 70.092 1.00 0.00 ATOM 373 C THR A 51 25.866 20.020 70.276 1.00 0.00 ATOM 374 N PHE A 52 25.648 19.437 71.445 1.00 0.00 ATOM 375 CA PHE A 52 26.537 19.478 72.568 1.00 0.00 ATOM 376 CB PHE A 52 25.809 19.571 73.907 1.00 0.00 ATOM 377 CG PHE A 52 24.993 20.803 74.086 1.00 0.00 ATOM 378 CD1 PHE A 52 23.720 20.884 73.598 1.00 0.00 ATOM 379 CD2 PHE A 52 25.518 21.883 74.769 1.00 0.00 ATOM 380 CE1 PHE A 52 22.932 22.076 73.810 1.00 0.00 ATOM 381 CE2 PHE A 52 24.780 23.049 74.970 1.00 0.00 ATOM 382 CZ PHE A 52 23.481 23.143 74.482 1.00 0.00 ATOM 383 O PHE A 52 26.792 17.087 72.231 1.00 0.00 ATOM 384 C PHE A 52 27.296 18.148 72.605 1.00 0.00 ATOM 385 N LEU A 53 28.523 18.244 73.080 1.00 0.00 ATOM 386 CA LEU A 53 29.358 17.127 73.341 1.00 0.00 ATOM 387 CB LEU A 53 30.509 17.102 72.354 1.00 0.00 ATOM 388 CG LEU A 53 31.329 15.807 72.332 1.00 0.00 ATOM 389 CD1 LEU A 53 30.513 14.690 71.769 1.00 0.00 ATOM 390 CD2 LEU A 53 32.564 15.987 71.489 1.00 0.00 ATOM 391 O LEU A 53 30.443 18.244 75.180 1.00 0.00 ATOM 392 C LEU A 53 29.889 17.221 74.761 1.00 0.00 ATOM 393 N VAL A 54 29.682 16.147 75.508 1.00 0.00 ATOM 394 CA VAL A 54 30.179 16.029 76.902 1.00 0.00 ATOM 395 CB VAL A 54 29.027 15.988 77.951 1.00 0.00 ATOM 396 CG1 VAL A 54 28.231 17.303 77.898 1.00 0.00 ATOM 397 CG2 VAL A 54 28.109 14.757 77.777 1.00 0.00 ATOM 398 O VAL A 54 30.900 13.911 76.062 1.00 0.00 ATOM 399 C VAL A 54 30.995 14.732 76.954 1.00 0.00 ATOM 400 N ALA A 55 31.826 14.566 77.963 1.00 0.00 ATOM 401 CA ALA A 55 32.530 13.317 78.106 1.00 0.00 ATOM 402 CB ALA A 55 33.944 13.478 77.596 1.00 0.00 ATOM 403 O ALA A 55 32.734 13.781 80.459 1.00 0.00 ATOM 404 C ALA A 55 32.512 12.931 79.598 1.00 0.00 ATOM 405 N THR A 56 32.312 11.643 79.876 1.00 0.00 ATOM 406 CA THR A 56 32.354 11.124 81.233 1.00 0.00 ATOM 407 CB THR A 56 30.938 11.342 81.906 1.00 0.00 ATOM 408 CG2 THR A 56 29.892 10.447 81.277 1.00 0.00 ATOM 409 OG1 THR A 56 31.000 11.029 83.298 1.00 0.00 ATOM 410 O THR A 56 32.640 8.986 80.183 1.00 0.00 ATOM 411 C THR A 56 32.793 9.647 81.211 1.00 0.00 ATOM 412 N PRO A 57 33.385 9.127 82.330 1.00 0.00 ATOM 413 CA PRO A 57 33.632 7.722 82.344 1.00 0.00 ATOM 414 CB PRO A 57 34.140 7.463 83.773 1.00 0.00 ATOM 415 CG PRO A 57 34.841 8.744 84.138 1.00 0.00 ATOM 416 CD PRO A 57 33.944 9.797 83.531 1.00 0.00 ATOM 417 O PRO A 57 31.270 7.292 82.451 1.00 0.00 ATOM 418 C PRO A 57 32.369 6.948 82.010 1.00 0.00 ATOM 419 N ALA A 58 32.499 5.935 81.173 1.00 0.00 ATOM 420 CA ALA A 58 31.341 5.096 80.827 1.00 0.00 ATOM 421 CB ALA A 58 31.799 3.877 79.991 1.00 0.00 ATOM 422 O ALA A 58 29.380 4.456 82.092 1.00 0.00 ATOM 423 C ALA A 58 30.623 4.609 82.077 1.00 0.00 ATOM 424 N ALA A 59 31.410 4.335 83.126 1.00 0.00 ATOM 425 CA ALA A 59 30.888 3.740 84.358 1.00 0.00 ATOM 426 CB ALA A 59 31.963 2.877 84.992 1.00 0.00 ATOM 427 O ALA A 59 29.833 4.297 86.417 1.00 0.00 ATOM 428 C ALA A 59 30.331 4.727 85.389 1.00 0.00 ATOM 429 N SER A 60 30.434 6.034 85.130 1.00 0.00 ATOM 430 CA SER A 60 29.949 7.064 86.079 1.00 0.00 ATOM 431 CB SER A 60 30.407 8.447 85.678 1.00 0.00 ATOM 432 OG SER A 60 29.740 8.827 84.475 1.00 0.00 ATOM 433 O SER A 60 27.821 6.542 85.130 1.00 0.00 ATOM 434 C SER A 60 28.413 7.024 86.081 1.00 0.00 ATOM 435 N PRO A 61 27.773 7.500 87.139 1.00 0.00 ATOM 436 CA PRO A 61 26.299 7.538 87.122 1.00 0.00 ATOM 437 CB PRO A 61 25.958 8.272 88.396 1.00 0.00 ATOM 438 CG PRO A 61 27.128 7.930 89.326 1.00 0.00 ATOM 439 CD PRO A 61 28.323 7.989 88.428 1.00 0.00 ATOM 440 O PRO A 61 24.716 7.830 85.349 1.00 0.00 ATOM 441 C PRO A 61 25.726 8.264 85.916 1.00 0.00 ATOM 442 N THR A 62 26.370 9.360 85.521 1.00 0.00 ATOM 443 CA THR A 62 25.957 10.107 84.339 1.00 0.00 ATOM 444 CB THR A 62 26.702 11.466 84.225 1.00 0.00 ATOM 445 CG2 THR A 62 26.318 12.176 82.926 1.00 0.00 ATOM 446 OG1 THR A 62 26.342 12.293 85.344 1.00 0.00 ATOM 447 O THR A 62 25.180 9.172 82.312 1.00 0.00 ATOM 448 C THR A 62 26.125 9.291 83.110 1.00 0.00 ATOM 449 N GLY A 63 27.308 8.685 82.940 1.00 0.00 ATOM 450 CA GLY A 63 27.558 7.833 81.776 1.00 0.00 ATOM 451 O GLY A 63 26.108 6.376 80.552 1.00 0.00 ATOM 452 C GLY A 63 26.576 6.672 81.633 1.00 0.00 ATOM 453 N ARG A 64 26.285 6.011 82.739 1.00 0.00 ATOM 454 CA ARG A 64 25.330 4.910 82.764 1.00 0.00 ATOM 455 CB ARG A 64 25.394 4.158 84.101 1.00 0.00 ATOM 456 CG ARG A 64 26.772 3.492 84.289 1.00 0.00 ATOM 457 CD ARG A 64 26.886 2.581 85.529 1.00 0.00 ATOM 458 NE ARG A 64 27.135 3.322 86.746 1.00 0.00 ATOM 459 CZ ARG A 64 26.204 3.659 87.630 1.00 0.00 ATOM 460 NH1 ARG A 64 24.931 3.276 87.467 1.00 0.00 ATOM 461 NH2 ARG A 64 26.566 4.333 88.718 1.00 0.00 ATOM 462 O ARG A 64 23.208 4.724 81.718 1.00 0.00 ATOM 463 C ARG A 64 23.920 5.375 82.464 1.00 0.00 ATOM 464 N ASN A 65 23.500 6.490 83.039 1.00 0.00 ATOM 465 CA ASN A 65 22.148 7.002 82.753 1.00 0.00 ATOM 466 CB ASN A 65 21.709 8.144 83.685 1.00 0.00 ATOM 467 CG ASN A 65 21.569 7.702 85.121 1.00 0.00 ATOM 468 ND2 ASN A 65 21.476 8.647 86.048 1.00 0.00 ATOM 469 OD1 ASN A 65 21.565 6.534 85.389 1.00 0.00 ATOM 470 O ASN A 65 21.032 7.097 80.652 1.00 0.00 ATOM 471 C ASN A 65 22.031 7.419 81.299 1.00 0.00 ATOM 472 N LEU A 66 23.060 8.076 80.766 1.00 0.00 ATOM 473 CA LEU A 66 23.043 8.469 79.385 1.00 0.00 ATOM 474 CB LEU A 66 24.204 9.408 79.039 1.00 0.00 ATOM 475 CG LEU A 66 24.080 10.808 79.675 1.00 0.00 ATOM 476 CD1 LEU A 66 25.315 11.657 79.393 1.00 0.00 ATOM 477 CD2 LEU A 66 22.806 11.502 79.221 1.00 0.00 ATOM 478 O LEU A 66 22.181 7.264 77.465 1.00 0.00 ATOM 479 C LEU A 66 22.970 7.264 78.404 1.00 0.00 ATOM 480 N SER A 67 23.785 6.258 78.666 1.00 0.00 ATOM 481 CA SER A 67 23.830 5.045 77.870 1.00 0.00 ATOM 482 CB SER A 67 24.913 4.089 78.383 1.00 0.00 ATOM 483 OG SER A 67 26.176 4.621 78.080 1.00 0.00 ATOM 484 O SER A 67 22.084 3.791 76.869 1.00 0.00 ATOM 485 C SER A 67 22.536 4.306 77.907 1.00 0.00 ATOM 486 N GLU A 68 21.939 4.216 79.089 1.00 0.00 ATOM 487 CA GLU A 68 20.777 3.348 79.284 1.00 0.00 ATOM 488 CB GLU A 68 20.662 2.891 80.742 1.00 0.00 ATOM 489 CG GLU A 68 21.840 2.026 81.219 1.00 0.00 ATOM 490 O GLU A 68 18.619 3.396 78.388 1.00 0.00 ATOM 491 C GLU A 68 19.519 4.041 78.877 1.00 0.00 ATOM 492 N THR A 69 19.438 5.363 79.047 1.00 0.00 ATOM 493 CA THR A 69 18.155 6.066 78.834 1.00 0.00 ATOM 494 CB THR A 69 17.711 6.862 80.130 1.00 0.00 ATOM 495 CG2 THR A 69 17.890 6.032 81.389 1.00 0.00 ATOM 496 OG1 THR A 69 18.476 8.077 80.264 1.00 0.00 ATOM 497 O THR A 69 17.171 7.345 77.094 1.00 0.00 ATOM 498 C THR A 69 18.188 7.007 77.629 1.00 0.00 ATOM 499 N GLY A 70 19.363 7.495 77.250 1.00 0.00 ATOM 500 CA GLY A 70 19.472 8.460 76.215 1.00 0.00 ATOM 501 O GLY A 70 18.648 10.568 75.510 1.00 0.00 ATOM 502 C GLY A 70 18.807 9.819 76.445 1.00 0.00 ATOM 503 N ARG A 71 18.419 10.158 77.662 1.00 0.00 ATOM 504 CA ARG A 71 17.721 11.436 77.882 1.00 0.00 ATOM 505 CB ARG A 71 16.324 11.188 78.436 1.00 0.00 ATOM 506 CG ARG A 71 15.386 10.547 77.408 1.00 0.00 ATOM 507 CD ARG A 71 14.080 10.220 78.067 1.00 0.00 ATOM 508 NE ARG A 71 13.105 9.608 77.141 1.00 0.00 ATOM 509 O ARG A 71 19.144 11.731 79.756 1.00 0.00 ATOM 510 C ARG A 71 18.519 12.278 78.847 1.00 0.00 ATOM 511 N VAL A 72 18.479 13.596 78.654 1.00 0.00 ATOM 512 CA VAL A 72 19.322 14.529 79.423 1.00 0.00 ATOM 513 CB VAL A 72 20.775 14.587 78.894 1.00 0.00 ATOM 514 CG1 VAL A 72 20.868 15.160 77.503 1.00 0.00 ATOM 515 CG2 VAL A 72 21.691 15.293 79.831 1.00 0.00 ATOM 516 O VAL A 72 18.009 16.300 78.485 1.00 0.00 ATOM 517 C VAL A 72 18.656 15.892 79.448 1.00 0.00 ATOM 518 N ARG A 73 18.856 16.595 80.561 1.00 0.00 ATOM 519 CA ARG A 73 18.562 18.009 80.647 1.00 0.00 ATOM 520 CB ARG A 73 17.451 18.298 81.664 1.00 0.00 ATOM 521 CG ARG A 73 16.229 17.441 81.577 1.00 0.00 ATOM 522 CD ARG A 73 15.479 17.803 80.358 1.00 0.00 ATOM 523 NE ARG A 73 14.298 16.951 80.172 1.00 0.00 ATOM 524 CZ ARG A 73 13.038 17.327 80.382 1.00 0.00 ATOM 525 NH1 ARG A 73 12.733 18.535 80.765 1.00 0.00 ATOM 526 NH2 ARG A 73 12.056 16.483 80.146 1.00 0.00 ATOM 527 O ARG A 73 20.671 18.299 81.848 1.00 0.00 ATOM 528 C ARG A 73 19.852 18.774 81.040 1.00 0.00 ATOM 529 N LEU A 74 20.035 19.914 80.421 1.00 0.00 ATOM 530 CA LEU A 74 21.188 20.819 80.674 1.00 0.00 ATOM 531 CB LEU A 74 22.021 21.034 79.404 1.00 0.00 ATOM 532 CG LEU A 74 22.484 19.802 78.599 1.00 0.00 ATOM 533 CD1 LEU A 74 23.184 20.280 77.310 1.00 0.00 ATOM 534 CD2 LEU A 74 23.400 18.975 79.441 1.00 0.00 ATOM 535 O LEU A 74 19.811 22.769 80.614 1.00 0.00 ATOM 536 C LEU A 74 20.705 22.160 81.199 1.00 0.00 ATOM 537 N GLY A 75 21.290 22.590 82.321 1.00 0.00 ATOM 538 CA GLY A 75 21.104 23.922 82.923 1.00 0.00 ATOM 539 O GLY A 75 23.453 24.324 83.216 1.00 0.00 ATOM 540 C GLY A 75 22.387 24.714 82.724 1.00 0.00 ATOM 541 N ILE A 76 22.296 25.780 81.942 1.00 0.00 ATOM 542 CA ILE A 76 23.459 26.570 81.547 1.00 0.00 ATOM 543 CB ILE A 76 23.794 26.431 80.049 1.00 0.00 ATOM 544 CG1 ILE A 76 24.250 24.983 79.785 1.00 0.00 ATOM 545 CG2 ILE A 76 24.886 27.435 79.640 1.00 0.00 ATOM 546 CD1 ILE A 76 24.282 24.607 78.330 1.00 0.00 ATOM 547 O ILE A 76 22.088 28.563 81.686 1.00 0.00 ATOM 548 C ILE A 76 23.195 28.025 81.864 1.00 0.00 ATOM 549 N GLY A 77 24.232 28.638 82.398 1.00 0.00 ATOM 550 CA GLY A 77 24.269 30.055 82.598 1.00 0.00 ATOM 551 O GLY A 77 23.843 29.670 84.912 1.00 0.00 ATOM 552 C GLY A 77 24.190 30.480 84.032 1.00 0.00 ATOM 553 N PRO A 78 24.517 31.762 84.279 1.00 0.00 ATOM 554 CA PRO A 78 24.604 32.293 85.593 1.00 0.00 ATOM 555 CB PRO A 78 25.442 33.576 85.393 1.00 0.00 ATOM 556 CG PRO A 78 24.943 34.098 84.133 1.00 0.00 ATOM 557 CD PRO A 78 24.794 32.817 83.274 1.00 0.00 ATOM 558 O PRO A 78 22.210 32.436 85.332 1.00 0.00 ATOM 559 C PRO A 78 23.234 32.644 86.059 1.00 0.00 ATOM 560 N THR A 79 23.216 33.161 87.277 1.00 0.00 ATOM 561 CA THR A 79 21.985 33.456 87.997 1.00 0.00 ATOM 562 CB THR A 79 22.289 34.169 89.334 1.00 0.00 ATOM 563 CG2 THR A 79 20.987 34.477 90.062 1.00 0.00 ATOM 564 OG1 THR A 79 23.161 33.348 90.142 1.00 0.00 ATOM 565 O THR A 79 21.516 35.464 86.701 1.00 0.00 ATOM 566 C THR A 79 21.073 34.379 87.165 1.00 0.00 ATOM 567 N ARG A 80 19.821 33.954 86.968 1.00 0.00 ATOM 568 CA ARG A 80 18.837 34.810 86.307 1.00 0.00 ATOM 569 CB ARG A 80 18.515 36.080 87.146 1.00 0.00 ATOM 570 CG ARG A 80 17.842 35.852 88.533 1.00 0.00 ATOM 571 CD ARG A 80 16.367 35.465 88.442 1.00 0.00 ATOM 572 NE ARG A 80 15.889 34.854 89.695 1.00 0.00 ATOM 573 CZ ARG A 80 15.263 35.493 90.692 1.00 0.00 ATOM 574 NH1 ARG A 80 14.993 36.798 90.619 1.00 0.00 ATOM 575 NH2 ARG A 80 14.885 34.811 91.780 1.00 0.00 ATOM 576 O ARG A 80 18.824 36.270 84.411 1.00 0.00 ATOM 577 C ARG A 80 19.261 35.231 84.888 1.00 0.00 ATOM 578 N ASP A 81 20.108 34.418 84.246 1.00 0.00 ATOM 579 CA ASP A 81 20.324 34.446 82.810 1.00 0.00 ATOM 580 CB ASP A 81 21.478 35.369 82.457 1.00 0.00 ATOM 581 CG ASP A 81 21.571 35.626 80.972 1.00 0.00 ATOM 582 OD1 ASP A 81 20.647 35.198 80.197 1.00 0.00 ATOM 583 OD2 ASP A 81 22.591 36.230 80.575 1.00 0.00 ATOM 584 O ASP A 81 21.641 32.553 81.962 1.00 0.00 ATOM 585 C ASP A 81 20.547 32.998 82.324 1.00 0.00 ATOM 586 N LEU A 82 19.475 32.234 82.386 1.00 0.00 ATOM 587 CA LEU A 82 19.559 30.786 82.258 1.00 0.00 ATOM 588 CB LEU A 82 18.688 30.099 83.334 1.00 0.00 ATOM 589 CG LEU A 82 19.010 30.403 84.809 1.00 0.00 ATOM 590 CD1 LEU A 82 17.917 29.829 85.683 1.00 0.00 ATOM 591 CD2 LEU A 82 20.355 29.951 85.311 1.00 0.00 ATOM 592 O LEU A 82 18.292 30.995 80.220 1.00 0.00 ATOM 593 C LEU A 82 19.133 30.330 80.908 1.00 0.00 ATOM 594 N VAL A 83 19.732 29.203 80.521 1.00 0.00 ATOM 595 CA VAL A 83 19.335 28.413 79.386 1.00 0.00 ATOM 596 CB VAL A 83 20.416 28.440 78.298 1.00 0.00 ATOM 597 CG1 VAL A 83 19.931 27.686 77.085 1.00 0.00 ATOM 598 CG2 VAL A 83 20.790 29.876 77.923 1.00 0.00 ATOM 599 O VAL A 83 19.900 26.336 80.554 1.00 0.00 ATOM 600 C VAL A 83 19.087 26.948 79.851 1.00 0.00 ATOM 601 N LEU A 84 17.914 26.439 79.507 1.00 0.00 ATOM 602 CA LEU A 84 17.499 25.109 79.863 1.00 0.00 ATOM 603 CB LEU A 84 16.240 25.209 80.733 1.00 0.00 ATOM 604 CG LEU A 84 15.648 23.911 81.277 1.00 0.00 ATOM 605 CD1 LEU A 84 16.605 23.093 82.132 1.00 0.00 ATOM 606 CD2 LEU A 84 14.428 24.327 82.083 1.00 0.00 ATOM 607 O LEU A 84 16.426 24.654 77.759 1.00 0.00 ATOM 608 C LEU A 84 17.252 24.287 78.599 1.00 0.00 ATOM 609 N VAL A 85 17.991 23.189 78.465 1.00 0.00 ATOM 610 CA VAL A 85 17.953 22.373 77.268 1.00 0.00 ATOM 611 CB VAL A 85 19.355 22.254 76.623 1.00 0.00 ATOM 612 CG1 VAL A 85 19.287 21.458 75.326 1.00 0.00 ATOM 613 CG2 VAL A 85 19.986 23.618 76.382 1.00 0.00 ATOM 614 O VAL A 85 17.833 20.358 78.573 1.00 0.00 ATOM 615 C VAL A 85 17.402 20.984 77.599 1.00 0.00 ATOM 616 N GLU A 86 16.451 20.499 76.789 1.00 0.00 ATOM 617 CA GLU A 86 16.053 19.091 76.829 1.00 0.00 ATOM 618 CB GLU A 86 14.535 18.876 76.836 1.00 0.00 ATOM 619 CG GLU A 86 13.740 19.760 77.776 1.00 0.00 ATOM 620 CD GLU A 86 12.277 19.325 77.844 1.00 0.00 ATOM 621 OE1 GLU A 86 12.012 18.116 77.696 1.00 0.00 ATOM 622 OE2 GLU A 86 11.402 20.173 78.067 1.00 0.00 ATOM 623 O GLU A 86 16.391 18.934 74.444 1.00 0.00 ATOM 624 C GLU A 86 16.599 18.440 75.580 1.00 0.00 ATOM 625 N GLY A 87 17.249 17.299 75.770 1.00 0.00 ATOM 626 CA GLY A 87 17.927 16.630 74.654 1.00 0.00 ATOM 627 O GLY A 87 17.694 14.499 75.780 1.00 0.00 ATOM 628 C GLY A 87 17.990 15.117 74.750 1.00 0.00 ATOM 629 N THR A 88 18.407 14.513 73.649 1.00 0.00 ATOM 630 CA THR A 88 18.607 13.085 73.565 1.00 0.00 ATOM 631 CB THR A 88 17.797 12.460 72.386 1.00 0.00 ATOM 632 CG2 THR A 88 16.299 12.529 72.644 1.00 0.00 ATOM 633 OG1 THR A 88 18.119 13.131 71.182 1.00 0.00 ATOM 634 O THR A 88 20.745 13.739 72.680 1.00 0.00 ATOM 635 C THR A 88 20.111 12.900 73.337 1.00 0.00 ATOM 636 N ALA A 89 20.672 11.840 73.907 1.00 0.00 ATOM 637 CA ALA A 89 22.097 11.613 73.924 1.00 0.00 ATOM 638 CB ALA A 89 22.576 11.720 75.379 1.00 0.00 ATOM 639 O ALA A 89 21.868 9.242 73.625 1.00 0.00 ATOM 640 C ALA A 89 22.497 10.267 73.327 1.00 0.00 ATOM 641 N LEU A 90 23.553 10.265 72.513 1.00 0.00 ATOM 642 CA LEU A 90 24.118 9.053 71.937 1.00 0.00 ATOM 643 CB LEU A 90 23.821 8.946 70.431 1.00 0.00 ATOM 644 CG LEU A 90 22.340 8.749 70.110 1.00 0.00 ATOM 645 CD1 LEU A 90 22.117 8.904 68.569 1.00 0.00 ATOM 646 CD2 LEU A 90 21.825 7.424 70.603 1.00 0.00 ATOM 647 O LEU A 90 26.310 10.009 72.207 1.00 0.00 ATOM 648 C LEU A 90 25.612 8.978 72.204 1.00 0.00 ATOM 649 N PRO A 91 26.122 7.765 72.455 1.00 0.00 ATOM 650 CA PRO A 91 27.538 7.635 72.828 1.00 0.00 ATOM 651 CB PRO A 91 27.573 6.258 73.514 1.00 0.00 ATOM 652 CG PRO A 91 26.486 5.447 72.746 1.00 0.00 ATOM 653 CD PRO A 91 25.406 6.469 72.447 1.00 0.00 ATOM 654 O PRO A 91 28.143 7.137 70.568 1.00 0.00 ATOM 655 C PRO A 91 28.487 7.630 71.621 1.00 0.00 ATOM 656 N LEU A 92 29.689 8.153 71.795 1.00 0.00 ATOM 657 CA LEU A 92 30.762 8.038 70.790 1.00 0.00 ATOM 658 CB LEU A 92 31.034 9.392 70.106 1.00 0.00 ATOM 659 CG LEU A 92 29.902 9.975 69.271 1.00 0.00 ATOM 660 CD1 LEU A 92 30.139 11.425 68.966 1.00 0.00 ATOM 661 CD2 LEU A 92 29.714 9.151 67.983 1.00 0.00 ATOM 662 O LEU A 92 32.340 8.156 72.615 1.00 0.00 ATOM 663 C LEU A 92 31.975 7.569 71.575 1.00 0.00 ATOM 664 N GLU A 93 32.588 6.490 71.116 1.00 0.00 ATOM 665 CA GLU A 93 33.864 6.077 71.636 1.00 0.00 ATOM 666 CB GLU A 93 34.277 4.738 71.035 1.00 0.00 ATOM 667 CG GLU A 93 33.267 3.601 71.212 1.00 0.00 ATOM 668 CD GLU A 93 33.347 2.960 72.569 1.00 0.00 ATOM 669 OE1 GLU A 93 34.357 3.182 73.283 1.00 0.00 ATOM 670 OE2 GLU A 93 32.396 2.241 72.927 1.00 0.00 ATOM 671 O GLU A 93 34.906 7.662 70.167 1.00 0.00 ATOM 672 C GLU A 93 34.947 7.099 71.255 1.00 0.00 ATOM 673 N PRO A 94 35.932 7.316 72.139 1.00 0.00 ATOM 674 CA PRO A 94 37.072 8.200 71.881 1.00 0.00 ATOM 675 CB PRO A 94 37.983 7.923 73.059 1.00 0.00 ATOM 676 CG PRO A 94 37.014 7.677 74.181 1.00 0.00 ATOM 677 CD PRO A 94 35.985 6.793 73.516 1.00 0.00 ATOM 678 O PRO A 94 38.108 8.899 69.875 1.00 0.00 ATOM 679 C PRO A 94 37.771 7.944 70.548 1.00 0.00 ATOM 680 N ALA A 95 37.907 6.683 70.139 1.00 0.00 ATOM 681 CA ALA A 95 38.435 6.368 68.811 1.00 0.00 ATOM 682 CB ALA A 95 38.998 4.949 68.791 1.00 0.00 ATOM 683 O ALA A 95 37.848 6.420 66.497 1.00 0.00 ATOM 684 C ALA A 95 37.452 6.566 67.646 1.00 0.00 ATOM 685 N GLY A 96 36.193 6.893 67.907 1.00 0.00 ATOM 686 CA GLY A 96 35.197 7.041 66.847 1.00 0.00 ATOM 687 O GLY A 96 33.500 8.640 66.280 1.00 0.00 ATOM 688 C GLY A 96 34.640 8.442 66.722 1.00 0.00 ATOM 689 N LEU A 97 35.412 9.440 67.157 1.00 0.00 ATOM 690 CA LEU A 97 34.971 10.849 67.028 1.00 0.00 ATOM 691 CB LEU A 97 35.823 11.789 67.879 1.00 0.00 ATOM 692 CG LEU A 97 35.634 11.661 69.382 1.00 0.00 ATOM 693 CD1 LEU A 97 36.646 12.560 70.074 1.00 0.00 ATOM 694 CD2 LEU A 97 34.221 12.079 69.723 1.00 0.00 ATOM 695 O LEU A 97 36.037 10.805 64.947 1.00 0.00 ATOM 696 C LEU A 97 35.149 11.279 65.592 1.00 0.00 ATOM 697 N PRO A 98 34.298 12.169 65.095 1.00 0.00 ATOM 698 CA PRO A 98 34.617 12.741 63.764 1.00 0.00 ATOM 699 CB PRO A 98 33.519 13.800 63.547 1.00 0.00 ATOM 700 CG PRO A 98 32.429 13.500 64.546 1.00 0.00 ATOM 701 CD PRO A 98 33.033 12.661 65.664 1.00 0.00 ATOM 702 O PRO A 98 36.433 13.922 64.826 1.00 0.00 ATOM 703 C PRO A 98 35.976 13.459 63.769 1.00 0.00 ATOM 704 N ASP A 99 36.580 13.590 62.606 1.00 0.00 ATOM 705 CA ASP A 99 37.836 14.313 62.459 1.00 0.00 ATOM 706 CB ASP A 99 38.206 14.452 60.972 1.00 0.00 ATOM 707 CG ASP A 99 38.423 13.100 60.284 1.00 0.00 ATOM 708 OD1 ASP A 99 38.626 12.104 60.988 1.00 0.00 ATOM 709 OD2 ASP A 99 38.408 13.012 59.030 1.00 0.00 ATOM 710 O ASP A 99 36.832 16.450 62.938 1.00 0.00 ATOM 711 C ASP A 99 37.781 15.679 63.119 1.00 0.00 ATOM 712 N GLY A 100 38.763 15.962 63.958 1.00 0.00 ATOM 713 CA GLY A 100 38.929 17.314 64.493 1.00 0.00 ATOM 714 O GLY A 100 38.497 18.465 66.566 1.00 0.00 ATOM 715 C GLY A 100 38.158 17.569 65.792 1.00 0.00 ATOM 716 N VAL A 101 37.152 16.762 66.076 1.00 0.00 ATOM 717 CA VAL A 101 36.315 17.019 67.220 1.00 0.00 ATOM 718 CB VAL A 101 35.012 16.175 67.139 1.00 0.00 ATOM 719 CG1 VAL A 101 34.280 16.259 68.435 1.00 0.00 ATOM 720 CG2 VAL A 101 34.137 16.660 65.931 1.00 0.00 ATOM 721 O VAL A 101 36.758 17.623 69.525 1.00 0.00 ATOM 722 C VAL A 101 36.995 16.825 68.593 1.00 0.00 ATOM 723 N GLY A 102 37.815 15.790 68.721 1.00 0.00 ATOM 724 CA GLY A 102 38.524 15.521 69.965 1.00 0.00 ATOM 725 O GLY A 102 39.441 17.134 71.507 1.00 0.00 ATOM 726 C GLY A 102 39.432 16.695 70.343 1.00 0.00 ATOM 727 N ASP A 103 40.169 17.208 69.355 1.00 0.00 ATOM 728 CA ASP A 103 41.008 18.383 69.542 1.00 0.00 ATOM 729 CB ASP A 103 41.790 18.752 68.280 1.00 0.00 ATOM 730 CG ASP A 103 42.940 17.799 67.983 1.00 0.00 ATOM 731 OD1 ASP A 103 43.277 16.936 68.822 1.00 0.00 ATOM 732 OD2 ASP A 103 43.542 17.949 66.888 1.00 0.00 ATOM 733 O ASP A 103 40.601 20.309 70.922 1.00 0.00 ATOM 734 C ASP A 103 40.212 19.615 69.974 1.00 0.00 ATOM 735 N THR A 104 39.096 19.872 69.313 1.00 0.00 ATOM 736 CA THR A 104 38.260 20.998 69.651 1.00 0.00 ATOM 737 CB THR A 104 37.122 21.198 68.645 1.00 0.00 ATOM 738 CG2 THR A 104 36.350 22.520 68.929 1.00 0.00 ATOM 739 OG1 THR A 104 37.685 21.281 67.321 1.00 0.00 ATOM 740 O THR A 104 37.739 21.836 71.847 1.00 0.00 ATOM 741 C THR A 104 37.738 20.854 71.082 1.00 0.00 ATOM 742 N PHE A 105 37.268 19.654 71.432 1.00 0.00 ATOM 743 CA PHE A 105 36.749 19.395 72.741 1.00 0.00 ATOM 744 CB PHE A 105 36.277 17.943 72.897 1.00 0.00 ATOM 745 CG PHE A 105 35.711 17.635 74.254 1.00 0.00 ATOM 746 CD1 PHE A 105 34.385 17.848 74.517 1.00 0.00 ATOM 747 CD2 PHE A 105 36.510 17.071 75.247 1.00 0.00 ATOM 748 CE1 PHE A 105 33.841 17.526 75.776 1.00 0.00 ATOM 749 CE2 PHE A 105 35.991 16.744 76.488 1.00 0.00 ATOM 750 CZ PHE A 105 34.663 16.987 76.755 1.00 0.00 ATOM 751 O PHE A 105 37.530 20.355 74.839 1.00 0.00 ATOM 752 C PHE A 105 37.834 19.684 73.812 1.00 0.00 ATOM 753 N ALA A 106 39.028 19.129 73.603 1.00 0.00 ATOM 754 CA ALA A 106 40.161 19.297 74.531 1.00 0.00 ATOM 755 CB ALA A 106 41.362 18.502 74.101 1.00 0.00 ATOM 756 O ALA A 106 40.857 21.147 75.848 1.00 0.00 ATOM 757 C ALA A 106 40.543 20.752 74.719 1.00 0.00 ATOM 758 N GLU A 107 40.503 21.544 73.637 1.00 0.00 ATOM 759 CA GLU A 107 40.817 22.971 73.699 1.00 0.00 ATOM 760 CB GLU A 107 40.932 23.624 72.306 1.00 0.00 ATOM 761 CG GLU A 107 42.152 23.234 71.494 1.00 0.00 ATOM 762 CD GLU A 107 41.992 23.432 69.941 1.00 0.00 ATOM 763 OE1 GLU A 107 40.952 23.987 69.421 1.00 0.00 ATOM 764 OE2 GLU A 107 42.925 22.963 69.242 1.00 0.00 ATOM 765 O GLU A 107 40.086 24.672 75.153 1.00 0.00 ATOM 766 C GLU A 107 39.759 23.736 74.449 1.00 0.00 ATOM 767 N LYS A 108 38.482 23.395 74.271 1.00 0.00 ATOM 768 CA LYS A 108 37.435 24.065 74.985 1.00 0.00 ATOM 769 CB LYS A 108 36.067 23.749 74.366 1.00 0.00 ATOM 770 CG LYS A 108 34.840 24.257 75.092 1.00 0.00 ATOM 771 CD LYS A 108 34.566 25.743 74.912 1.00 0.00 ATOM 772 CE LYS A 108 33.391 26.218 75.836 1.00 0.00 ATOM 773 NZ LYS A 108 32.079 25.318 75.872 1.00 0.00 ATOM 774 O LYS A 108 37.124 24.652 77.315 1.00 0.00 ATOM 775 C LYS A 108 37.418 23.752 76.503 1.00 0.00 ATOM 776 N THR A 109 37.678 22.498 76.874 1.00 0.00 ATOM 777 CA THR A 109 37.389 22.036 78.218 1.00 0.00 ATOM 778 CB THR A 109 36.661 20.660 78.245 1.00 0.00 ATOM 779 CG2 THR A 109 35.307 20.700 77.439 1.00 0.00 ATOM 780 OG1 THR A 109 37.534 19.631 77.760 1.00 0.00 ATOM 781 O THR A 109 38.486 21.746 80.268 1.00 0.00 ATOM 782 C THR A 109 38.614 21.857 79.078 1.00 0.00 ATOM 783 N GLY A 110 39.785 21.705 78.477 1.00 0.00 ATOM 784 CA GLY A 110 40.975 21.422 79.240 1.00 0.00 ATOM 785 O GLY A 110 42.240 19.722 80.209 1.00 0.00 ATOM 786 C GLY A 110 41.286 19.997 79.520 1.00 0.00 ATOM 787 N PHE A 111 40.515 19.056 79.014 1.00 0.00 ATOM 788 CA PHE A 111 40.908 17.663 79.200 1.00 0.00 ATOM 789 CB PHE A 111 40.316 17.041 80.486 1.00 0.00 ATOM 790 CG PHE A 111 38.846 16.747 80.419 1.00 0.00 ATOM 791 CD1 PHE A 111 37.917 17.761 80.540 1.00 0.00 ATOM 792 CD2 PHE A 111 38.410 15.456 80.265 1.00 0.00 ATOM 793 CE1 PHE A 111 36.542 17.471 80.494 1.00 0.00 ATOM 794 CE2 PHE A 111 37.065 15.162 80.210 1.00 0.00 ATOM 795 CZ PHE A 111 36.132 16.171 80.323 1.00 0.00 ATOM 796 O PHE A 111 39.791 17.251 77.147 1.00 0.00 ATOM 797 C PHE A 111 40.613 16.852 77.959 1.00 0.00 ATOM 798 N ASP A 112 41.342 15.758 77.799 1.00 0.00 ATOM 799 CA ASP A 112 41.296 14.961 76.608 1.00 0.00 ATOM 800 CB ASP A 112 42.536 15.232 75.772 1.00 0.00 ATOM 801 CG ASP A 112 42.498 14.569 74.435 1.00 0.00 ATOM 802 OD1 ASP A 112 41.538 13.824 74.138 1.00 0.00 ATOM 803 OD2 ASP A 112 43.457 14.803 73.667 1.00 0.00 ATOM 804 O ASP A 112 42.137 12.777 77.220 1.00 0.00 ATOM 805 C ASP A 112 41.146 13.473 76.962 1.00 0.00 ATOM 806 N PRO A 113 39.888 12.982 76.978 1.00 0.00 ATOM 807 CA PRO A 113 39.536 11.560 77.199 1.00 0.00 ATOM 808 CB PRO A 113 38.042 11.516 76.809 1.00 0.00 ATOM 809 CG PRO A 113 37.564 12.861 77.216 1.00 0.00 ATOM 810 CD PRO A 113 38.665 13.809 76.834 1.00 0.00 ATOM 811 O PRO A 113 40.573 9.442 76.894 1.00 0.00 ATOM 812 C PRO A 113 40.315 10.543 76.393 1.00 0.00 ATOM 813 N ARG A 114 40.696 10.906 75.170 1.00 0.00 ATOM 814 CA ARG A 114 41.502 10.048 74.323 1.00 0.00 ATOM 815 CB ARG A 114 41.763 10.707 72.950 1.00 0.00 ATOM 816 CG ARG A 114 40.544 11.234 72.225 1.00 0.00 ATOM 817 CD ARG A 114 40.902 12.045 70.999 1.00 0.00 ATOM 818 NE ARG A 114 41.485 13.320 71.369 1.00 0.00 ATOM 819 CZ ARG A 114 41.967 14.197 70.506 1.00 0.00 ATOM 820 NH1 ARG A 114 41.897 13.993 69.188 1.00 0.00 ATOM 821 NH2 ARG A 114 42.506 15.299 70.963 1.00 0.00 ATOM 822 O ARG A 114 43.355 8.587 74.741 1.00 0.00 ATOM 823 C ARG A 114 42.845 9.667 74.983 1.00 0.00 ATOM 824 N ARG A 115 43.379 10.540 75.827 1.00 0.00 ATOM 825 CA ARG A 115 44.667 10.341 76.494 1.00 0.00 ATOM 826 CB ARG A 115 45.422 11.687 76.533 1.00 0.00 ATOM 827 CG ARG A 115 45.708 12.315 75.149 1.00 0.00 ATOM 828 O ARG A 115 45.553 9.845 78.661 1.00 0.00 ATOM 829 C ARG A 115 44.567 9.811 77.943 1.00 0.00 ATOM 830 N LEU A 116 43.394 9.364 78.395 1.00 0.00 ATOM 831 CA LEU A 116 43.241 8.945 79.785 1.00 0.00 ATOM 832 CB LEU A 116 42.057 9.663 80.456 1.00 0.00 ATOM 833 CG LEU A 116 42.164 11.173 80.528 1.00 0.00 ATOM 834 CD1 LEU A 116 40.850 11.825 81.022 1.00 0.00 ATOM 835 CD2 LEU A 116 43.324 11.616 81.372 1.00 0.00 ATOM 836 O LEU A 116 42.483 6.856 78.935 1.00 0.00 ATOM 837 C LEU A 116 43.051 7.449 79.843 1.00 0.00 ATOM 838 N THR A 117 43.491 6.841 80.933 1.00 0.00 ATOM 839 CA THR A 117 43.444 5.384 81.074 1.00 0.00 ATOM 840 CB THR A 117 44.441 4.887 82.164 1.00 0.00 ATOM 841 CG2 THR A 117 45.827 4.900 81.623 1.00 0.00 ATOM 842 OG1 THR A 117 44.404 5.775 83.280 1.00 0.00 ATOM 843 O THR A 117 41.595 3.880 80.863 1.00 0.00 ATOM 844 C THR A 117 42.041 4.903 81.389 1.00 0.00 ATOM 845 N THR A 118 41.347 5.646 82.234 1.00 0.00 ATOM 846 CA THR A 118 39.948 5.360 82.533 1.00 0.00 ATOM 847 CB THR A 118 39.354 6.406 83.454 1.00 0.00 ATOM 848 CG2 THR A 118 37.812 6.198 83.636 1.00 0.00 ATOM 849 OG1 THR A 118 40.016 6.346 84.723 1.00 0.00 ATOM 850 O THR A 118 39.354 6.195 80.348 1.00 0.00 ATOM 851 C THR A 118 39.155 5.341 81.221 1.00 0.00 ATOM 852 N SER A 119 38.261 4.378 81.094 1.00 0.00 ATOM 853 CA SER A 119 37.428 4.267 79.900 1.00 0.00 ATOM 854 CB SER A 119 36.938 2.830 79.794 1.00 0.00 ATOM 855 OG SER A 119 35.969 2.730 78.786 1.00 0.00 ATOM 856 O SER A 119 35.331 5.299 80.683 1.00 0.00 ATOM 857 C SER A 119 36.271 5.343 79.876 1.00 0.00 ATOM 858 N TYR A 120 36.429 6.346 79.005 1.00 0.00 ATOM 859 CA TYR A 120 35.459 7.419 78.799 1.00 0.00 ATOM 860 CB TYR A 120 36.152 8.777 78.532 1.00 0.00 ATOM 861 CG TYR A 120 36.557 9.547 79.760 1.00 0.00 ATOM 862 CD1 TYR A 120 37.591 9.078 80.578 1.00 0.00 ATOM 863 CD2 TYR A 120 35.888 10.699 80.143 1.00 0.00 ATOM 864 CE1 TYR A 120 37.952 9.749 81.738 1.00 0.00 ATOM 865 CE2 TYR A 120 36.231 11.377 81.282 1.00 0.00 ATOM 866 CZ TYR A 120 37.278 10.892 82.080 1.00 0.00 ATOM 867 OH TYR A 120 37.627 11.582 83.190 1.00 0.00 ATOM 868 O TYR A 120 34.965 6.507 76.630 1.00 0.00 ATOM 869 C TYR A 120 34.559 7.140 77.612 1.00 0.00 ATOM 870 N LEU A 121 33.329 7.627 77.707 1.00 0.00 ATOM 871 CA LEU A 121 32.498 7.855 76.539 1.00 0.00 ATOM 872 CB LEU A 121 31.161 7.150 76.700 1.00 0.00 ATOM 873 CG LEU A 121 31.151 5.632 76.538 1.00 0.00 ATOM 874 CD1 LEU A 121 29.740 5.057 77.050 1.00 0.00 ATOM 875 CD2 LEU A 121 31.512 5.260 75.104 1.00 0.00 ATOM 876 O LEU A 121 32.126 10.119 77.308 1.00 0.00 ATOM 877 C LEU A 121 32.265 9.378 76.342 1.00 0.00 ATOM 878 N TYR A 122 32.206 9.798 75.087 1.00 0.00 ATOM 879 CA TYR A 122 31.628 11.086 74.748 1.00 0.00 ATOM 880 CB TYR A 122 32.287 11.658 73.504 1.00 0.00 ATOM 881 CG TYR A 122 33.766 12.026 73.624 1.00 0.00 ATOM 882 CD1 TYR A 122 34.746 11.058 73.564 1.00 0.00 ATOM 883 CD2 TYR A 122 34.173 13.360 73.773 1.00 0.00 ATOM 884 CE1 TYR A 122 36.106 11.399 73.578 1.00 0.00 ATOM 885 CE2 TYR A 122 35.532 13.697 73.813 1.00 0.00 ATOM 886 CZ TYR A 122 36.489 12.704 73.714 1.00 0.00 ATOM 887 OH TYR A 122 37.836 13.023 73.750 1.00 0.00 ATOM 888 O TYR A 122 29.754 9.764 74.060 1.00 0.00 ATOM 889 C TYR A 122 30.143 10.849 74.474 1.00 0.00 ATOM 890 N PHE A 123 29.306 11.805 74.813 1.00 0.00 ATOM 891 CA PHE A 123 27.941 11.782 74.412 1.00 0.00 ATOM 892 CB PHE A 123 27.014 11.691 75.612 1.00 0.00 ATOM 893 CG PHE A 123 27.110 10.385 76.339 1.00 0.00 ATOM 894 CD1 PHE A 123 28.033 10.221 77.352 1.00 0.00 ATOM 895 CD2 PHE A 123 26.316 9.324 75.978 1.00 0.00 ATOM 896 CE1 PHE A 123 28.128 9.001 78.005 1.00 0.00 ATOM 897 CE2 PHE A 123 26.434 8.108 76.609 1.00 0.00 ATOM 898 CZ PHE A 123 27.320 7.976 77.642 1.00 0.00 ATOM 899 O PHE A 123 27.908 14.133 74.067 1.00 0.00 ATOM 900 C PHE A 123 27.630 13.024 73.614 1.00 0.00 ATOM 901 N ARG A 124 27.030 12.820 72.451 1.00 0.00 ATOM 902 CA ARG A 124 26.584 13.892 71.585 1.00 0.00 ATOM 903 CB ARG A 124 26.818 13.531 70.129 1.00 0.00 ATOM 904 CG ARG A 124 26.358 14.625 69.128 1.00 0.00 ATOM 905 CD ARG A 124 27.058 14.538 67.761 1.00 0.00 ATOM 906 NE ARG A 124 26.785 13.251 67.169 1.00 0.00 ATOM 907 CZ ARG A 124 27.499 12.646 66.207 1.00 0.00 ATOM 908 NH1 ARG A 124 28.550 13.198 65.653 1.00 0.00 ATOM 909 NH2 ARG A 124 27.117 11.468 65.785 1.00 0.00 ATOM 910 O ARG A 124 24.319 13.136 71.793 1.00 0.00 ATOM 911 C ARG A 124 25.117 14.094 71.854 1.00 0.00 ATOM 912 N ILE A 125 24.771 15.311 72.259 1.00 0.00 ATOM 913 CA ILE A 125 23.408 15.627 72.720 1.00 0.00 ATOM 914 CB ILE A 125 23.433 16.296 74.109 1.00 0.00 ATOM 915 CG1 ILE A 125 23.972 15.302 75.144 1.00 0.00 ATOM 916 CG2 ILE A 125 22.046 16.816 74.481 1.00 0.00 ATOM 917 CD1 ILE A 125 24.596 15.943 76.367 1.00 0.00 ATOM 918 O ILE A 125 23.290 17.635 71.368 1.00 0.00 ATOM 919 C ILE A 125 22.776 16.523 71.694 1.00 0.00 ATOM 920 N SER A 126 21.667 16.023 71.183 1.00 0.00 ATOM 921 CA SER A 126 20.856 16.703 70.199 1.00 0.00 ATOM 922 CB SER A 126 20.309 15.683 69.210 1.00 0.00 ATOM 923 OG SER A 126 21.397 15.070 68.535 1.00 0.00 ATOM 924 O SER A 126 18.911 16.797 71.529 1.00 0.00 ATOM 925 C SER A 126 19.731 17.426 70.911 1.00 0.00 ATOM 926 N PRO A 127 19.730 18.760 70.868 1.00 0.00 ATOM 927 CA PRO A 127 18.673 19.486 71.575 1.00 0.00 ATOM 928 CB PRO A 127 19.117 20.954 71.494 1.00 0.00 ATOM 929 CG PRO A 127 20.261 21.012 70.634 1.00 0.00 ATOM 930 CD PRO A 127 20.690 19.653 70.213 1.00 0.00 ATOM 931 O PRO A 127 17.195 19.298 69.730 1.00 0.00 ATOM 932 C PRO A 127 17.312 19.340 70.939 1.00 0.00 ATOM 933 N ARG A 128 16.278 19.206 71.746 1.00 0.00 ATOM 934 CA ARG A 128 14.935 19.096 71.234 1.00 0.00 ATOM 935 CB ARG A 128 14.265 17.821 71.770 1.00 0.00 ATOM 936 CG ARG A 128 14.963 16.544 71.328 1.00 0.00 ATOM 937 CD ARG A 128 14.908 16.395 69.841 1.00 0.00 ATOM 938 NE ARG A 128 13.523 16.322 69.378 1.00 0.00 ATOM 939 CZ ARG A 128 13.129 16.407 68.105 1.00 0.00 ATOM 940 NH1 ARG A 128 14.002 16.580 67.135 1.00 0.00 ATOM 941 NH2 ARG A 128 11.842 16.302 67.817 1.00 0.00 ATOM 942 O ARG A 128 13.252 20.800 70.951 1.00 0.00 ATOM 943 C ARG A 128 14.109 20.325 71.672 1.00 0.00 ATOM 944 N ARG A 129 14.347 20.772 72.893 1.00 0.00 ATOM 945 CA ARG A 129 13.664 21.929 73.458 1.00 0.00 ATOM 946 CB ARG A 129 12.597 21.456 74.434 1.00 0.00 ATOM 947 CG ARG A 129 11.656 22.488 74.840 1.00 0.00 ATOM 948 CD ARG A 129 10.626 21.908 75.807 1.00 0.00 ATOM 949 NE ARG A 129 9.702 22.956 76.227 1.00 0.00 ATOM 950 CZ ARG A 129 8.970 22.929 77.337 1.00 0.00 ATOM 951 NH1 ARG A 129 9.072 21.933 78.218 1.00 0.00 ATOM 952 NH2 ARG A 129 8.145 23.926 77.581 1.00 0.00 ATOM 953 O ARG A 129 15.581 22.283 74.867 1.00 0.00 ATOM 954 C ARG A 129 14.681 22.792 74.183 1.00 0.00 ATOM 955 N VAL A 130 14.530 24.090 74.025 1.00 0.00 ATOM 956 CA VAL A 130 15.337 25.094 74.715 1.00 0.00 ATOM 957 CB VAL A 130 16.356 25.748 73.781 1.00 0.00 ATOM 958 CG1 VAL A 130 17.196 26.829 74.530 1.00 0.00 ATOM 959 CG2 VAL A 130 17.251 24.682 73.101 1.00 0.00 ATOM 960 O VAL A 130 13.558 26.762 74.572 1.00 0.00 ATOM 961 C VAL A 130 14.451 26.201 75.268 1.00 0.00 ATOM 962 N GLN A 131 14.686 26.512 76.530 1.00 0.00 ATOM 963 CA GLN A 131 14.053 27.646 77.151 1.00 0.00 ATOM 964 CB GLN A 131 13.117 27.181 78.236 1.00 0.00 ATOM 965 CG GLN A 131 11.971 26.301 77.696 1.00 0.00 ATOM 966 CD GLN A 131 11.244 25.694 78.836 1.00 0.00 ATOM 967 OE1 GLN A 131 10.315 26.296 79.349 1.00 0.00 ATOM 968 NE2 GLN A 131 11.717 24.529 79.312 1.00 0.00 ATOM 969 O GLN A 131 16.208 28.106 78.115 1.00 0.00 ATOM 970 C GLN A 131 15.140 28.571 77.683 1.00 0.00 ATOM 971 N ALA A 132 14.890 29.876 77.600 1.00 0.00 ATOM 972 CA ALA A 132 15.882 30.890 78.046 1.00 0.00 ATOM 973 CB ALA A 132 16.720 31.367 76.890 1.00 0.00 ATOM 974 O ALA A 132 14.274 32.589 78.024 1.00 0.00 ATOM 975 C ALA A 132 15.190 32.031 78.647 1.00 0.00 ATOM 976 N TRP A 133 15.548 32.378 79.860 1.00 0.00 ATOM 977 CA TRP A 133 15.002 33.609 80.411 1.00 0.00 ATOM 978 CB TRP A 133 13.577 33.359 80.932 1.00 0.00 ATOM 979 CG TRP A 133 13.425 32.437 82.161 1.00 0.00 ATOM 980 CD1 TRP A 133 13.126 32.830 83.440 1.00 0.00 ATOM 981 CD2 TRP A 133 13.508 30.997 82.203 1.00 0.00 ATOM 982 CE2 TRP A 133 13.249 30.597 83.537 1.00 0.00 ATOM 983 CE3 TRP A 133 13.752 30.006 81.242 1.00 0.00 ATOM 984 NE1 TRP A 133 13.025 31.727 84.264 1.00 0.00 ATOM 985 CZ2 TRP A 133 13.221 29.255 83.929 1.00 0.00 ATOM 986 CZ3 TRP A 133 13.759 28.661 81.649 1.00 0.00 ATOM 987 CH2 TRP A 133 13.473 28.305 82.980 1.00 0.00 ATOM 988 O TRP A 133 16.681 33.589 82.131 1.00 0.00 ATOM 989 C TRP A 133 15.843 34.238 81.512 1.00 0.00 ATOM 990 N ARG A 134 15.565 35.512 81.740 1.00 0.00 ATOM 991 CA ARG A 134 16.249 36.333 82.736 1.00 0.00 ATOM 992 CB ARG A 134 16.770 37.629 82.094 1.00 0.00 ATOM 993 CG ARG A 134 17.722 37.316 81.002 1.00 0.00 ATOM 994 CD ARG A 134 18.447 38.507 80.373 1.00 0.00 ATOM 995 NE ARG A 134 19.595 37.969 79.620 1.00 0.00 ATOM 996 CZ ARG A 134 20.390 38.655 78.796 1.00 0.00 ATOM 997 NH1 ARG A 134 20.174 39.944 78.578 1.00 0.00 ATOM 998 NH2 ARG A 134 21.427 38.032 78.210 1.00 0.00 ATOM 999 O ARG A 134 15.144 35.729 84.760 1.00 0.00 ATOM 1000 C ARG A 134 15.298 36.581 83.907 1.00 0.00 ATOM 1001 N GLU A 135 14.641 37.718 83.973 1.00 0.00 ATOM 1002 CA GLU A 135 13.826 37.961 85.164 1.00 0.00 ATOM 1003 CB GLU A 135 13.840 39.447 85.550 1.00 0.00 ATOM 1004 CG GLU A 135 15.225 39.938 86.055 1.00 0.00 ATOM 1005 CD GLU A 135 15.675 39.301 87.389 1.00 0.00 ATOM 1006 OE1 GLU A 135 14.798 38.903 88.192 1.00 0.00 ATOM 1007 OE2 GLU A 135 16.911 39.208 87.631 1.00 0.00 ATOM 1008 O GLU A 135 12.211 36.828 83.831 1.00 0.00 ATOM 1009 C GLU A 135 12.440 37.426 84.887 1.00 0.00 ATOM 1010 N ALA A 136 11.532 37.629 85.843 1.00 0.00 ATOM 1011 CA ALA A 136 10.159 37.140 85.744 1.00 0.00 ATOM 1012 CB ALA A 136 9.350 37.542 86.993 1.00 0.00 ATOM 1013 O ALA A 136 8.648 36.887 83.908 1.00 0.00 ATOM 1014 C ALA A 136 9.455 37.631 84.480 1.00 0.00 ATOM 1015 N ASN A 137 9.769 38.865 84.045 1.00 0.00 ATOM 1016 CA ASN A 137 9.177 39.447 82.822 1.00 0.00 ATOM 1017 CB ASN A 137 9.586 40.942 82.620 1.00 0.00 ATOM 1018 CG ASN A 137 11.054 41.120 82.211 1.00 0.00 ATOM 1019 ND2 ASN A 137 11.340 42.211 81.498 1.00 0.00 ATOM 1020 OD1 ASN A 137 11.917 40.297 82.552 1.00 0.00 ATOM 1021 O ASN A 137 8.827 38.937 80.519 1.00 0.00 ATOM 1022 C ASN A 137 9.447 38.661 81.542 1.00 0.00 ATOM 1023 N GLU A 138 10.406 37.733 81.587 1.00 0.00 ATOM 1024 CA GLU A 138 10.752 36.905 80.431 1.00 0.00 ATOM 1025 CB GLU A 138 12.270 36.878 80.228 1.00 0.00 ATOM 1026 CG GLU A 138 12.806 38.166 79.677 1.00 0.00 ATOM 1027 CD GLU A 138 14.183 38.000 79.099 1.00 0.00 ATOM 1028 OE1 GLU A 138 14.871 36.975 79.426 1.00 0.00 ATOM 1029 OE2 GLU A 138 14.565 38.904 78.315 1.00 0.00 ATOM 1030 O GLU A 138 10.523 34.654 79.677 1.00 0.00 ATOM 1031 C GLU A 138 10.247 35.472 80.550 1.00 0.00 ATOM 1032 N LEU A 139 9.496 35.158 81.606 1.00 0.00 ATOM 1033 CA LEU A 139 8.803 33.871 81.664 1.00 0.00 ATOM 1034 CB LEU A 139 7.964 33.738 82.945 1.00 0.00 ATOM 1035 CG LEU A 139 8.858 33.468 84.171 1.00 0.00 ATOM 1036 CD1 LEU A 139 8.147 33.758 85.492 1.00 0.00 ATOM 1037 CD2 LEU A 139 9.396 32.030 84.134 1.00 0.00 ATOM 1038 O LEU A 139 8.041 32.698 79.727 1.00 0.00 ATOM 1039 C LEU A 139 7.953 33.716 80.404 1.00 0.00 ATOM 1040 N SER A 140 7.190 34.754 80.077 1.00 0.00 ATOM 1041 CA SER A 140 6.527 34.882 78.786 1.00 0.00 ATOM 1042 CB SER A 140 5.701 36.183 78.740 1.00 0.00 ATOM 1043 OG SER A 140 5.179 36.455 77.449 1.00 0.00 ATOM 1044 O SER A 140 8.455 35.799 77.711 1.00 0.00 ATOM 1045 C SER A 140 7.556 34.936 77.680 1.00 0.00 ATOM 1046 N GLY A 141 7.445 34.022 76.723 1.00 0.00 ATOM 1047 CA GLY A 141 8.340 34.000 75.565 1.00 0.00 ATOM 1048 O GLY A 141 10.595 33.345 75.006 1.00 0.00 ATOM 1049 C GLY A 141 9.641 33.241 75.796 1.00 0.00 ATOM 1050 N ARG A 142 9.678 32.457 76.875 1.00 0.00 ATOM 1051 CA ARG A 142 10.897 31.759 77.260 1.00 0.00 ATOM 1052 CB ARG A 142 10.862 31.337 78.722 1.00 0.00 ATOM 1053 CG ARG A 142 9.913 30.202 79.030 1.00 0.00 ATOM 1054 CD ARG A 142 10.083 29.816 80.489 1.00 0.00 ATOM 1055 NE ARG A 142 9.173 28.760 80.937 1.00 0.00 ATOM 1056 CZ ARG A 142 7.903 28.937 81.324 1.00 0.00 ATOM 1057 NH1 ARG A 142 7.314 30.130 81.309 1.00 0.00 ATOM 1058 NH2 ARG A 142 7.201 27.890 81.731 1.00 0.00 ATOM 1059 O ARG A 142 12.370 30.224 76.254 1.00 0.00 ATOM 1060 C ARG A 142 11.220 30.563 76.364 1.00 0.00 ATOM 1061 N GLU A 143 10.244 29.974 75.659 1.00 0.00 ATOM 1062 CA GLU A 143 10.547 28.814 74.786 1.00 0.00 ATOM 1063 CB GLU A 143 9.330 27.908 74.583 1.00 0.00 ATOM 1064 CG GLU A 143 9.721 26.535 73.964 1.00 0.00 ATOM 1065 CD GLU A 143 8.516 25.582 73.814 1.00 0.00 ATOM 1066 OE1 GLU A 143 7.753 25.675 72.837 1.00 0.00 ATOM 1067 OE2 GLU A 143 8.335 24.731 74.698 1.00 0.00 ATOM 1068 O GLU A 143 10.433 29.911 72.647 1.00 0.00 ATOM 1069 C GLU A 143 11.094 29.206 73.421 1.00 0.00 ATOM 1070 N LEU A 144 12.293 28.715 73.091 1.00 0.00 ATOM 1071 CA LEU A 144 13.025 29.179 71.925 1.00 0.00 ATOM 1072 CB LEU A 144 14.404 29.700 72.329 1.00 0.00 ATOM 1073 CG LEU A 144 14.447 30.887 73.299 1.00 0.00 ATOM 1074 CD1 LEU A 144 15.887 31.269 73.579 1.00 0.00 ATOM 1075 CD2 LEU A 144 13.655 32.071 72.799 1.00 0.00 ATOM 1076 O LEU A 144 13.499 28.445 69.724 1.00 0.00 ATOM 1077 C LEU A 144 13.213 28.114 70.871 1.00 0.00 ATOM 1078 N MET A 145 13.137 26.848 71.295 1.00 0.00 ATOM 1079 CA MET A 145 13.164 25.686 70.431 1.00 0.00 ATOM 1080 CB MET A 145 14.568 25.007 70.451 1.00 0.00 ATOM 1081 CG MET A 145 14.592 23.745 69.641 1.00 0.00 ATOM 1082 SD MET A 145 16.285 22.757 69.798 1.00 0.00 ATOM 1083 CE MET A 145 17.347 24.003 69.039 1.00 0.00 ATOM 1084 O MET A 145 11.999 24.421 72.141 1.00 0.00 ATOM 1085 C MET A 145 12.157 24.680 70.920 1.00 0.00 ATOM 1086 N ARG A 146 11.482 24.092 69.957 1.00 0.00 ATOM 1087 CA ARG A 146 10.564 23.027 70.197 1.00 0.00 ATOM 1088 CB ARG A 146 9.151 23.611 70.210 1.00 0.00 ATOM 1089 CG ARG A 146 8.098 22.693 70.684 1.00 0.00 ATOM 1090 CD ARG A 146 6.789 23.460 70.714 1.00 0.00 ATOM 1091 NE ARG A 146 5.789 22.652 71.345 1.00 0.00 ATOM 1092 CZ ARG A 146 4.553 23.052 71.606 1.00 0.00 ATOM 1093 NH1 ARG A 146 4.156 24.266 71.278 1.00 0.00 ATOM 1094 NH2 ARG A 146 3.725 22.216 72.209 1.00 0.00 ATOM 1095 O ARG A 146 10.870 22.470 67.907 1.00 0.00 ATOM 1096 C ARG A 146 10.720 22.052 69.074 1.00 0.00 ATOM 1097 N ASP A 147 10.630 20.764 69.408 1.00 0.00 ATOM 1098 CA ASP A 147 10.795 19.649 68.452 1.00 0.00 ATOM 1099 CB ASP A 147 9.566 19.476 67.547 1.00 0.00 ATOM 1100 CG ASP A 147 8.257 19.369 68.335 1.00 0.00 ATOM 1101 OD1 ASP A 147 8.239 18.768 69.435 1.00 0.00 ATOM 1102 OD2 ASP A 147 7.241 19.907 67.859 1.00 0.00 ATOM 1103 O ASP A 147 12.008 19.449 66.403 1.00 0.00 ATOM 1104 C ASP A 147 12.030 19.781 67.589 1.00 0.00 ATOM 1105 N GLY A 148 13.109 20.285 68.187 1.00 0.00 ATOM 1106 CA GLY A 148 14.383 20.291 67.535 1.00 0.00 ATOM 1107 O GLY A 148 15.658 21.535 66.005 1.00 0.00 ATOM 1108 C GLY A 148 14.612 21.445 66.605 1.00 0.00 ATOM 1109 N GLU A 149 13.691 22.381 66.558 1.00 0.00 ATOM 1110 CA GLU A 149 13.778 23.542 65.620 1.00 0.00 ATOM 1111 CB GLU A 149 12.598 23.528 64.638 1.00 0.00 ATOM 1112 CG GLU A 149 12.479 22.293 63.778 1.00 0.00 ATOM 1113 CD GLU A 149 13.667 22.098 62.866 1.00 0.00 ATOM 1114 OE1 GLU A 149 14.409 23.081 62.599 1.00 0.00 ATOM 1115 OE2 GLU A 149 13.849 20.937 62.447 1.00 0.00 ATOM 1116 O GLU A 149 12.812 25.005 67.216 1.00 0.00 ATOM 1117 C GLU A 149 13.717 24.830 66.397 1.00 0.00 ATOM 1118 N TRP A 150 14.651 25.745 66.151 1.00 0.00 ATOM 1119 CA TRP A 150 14.566 27.076 66.724 1.00 0.00 ATOM 1120 CB TRP A 150 15.774 27.928 66.311 1.00 0.00 ATOM 1121 CG TRP A 150 17.071 27.442 66.897 1.00 0.00 ATOM 1122 CD1 TRP A 150 18.071 26.752 66.236 1.00 0.00 ATOM 1123 CD2 TRP A 150 17.522 27.596 68.249 1.00 0.00 ATOM 1124 CE2 TRP A 150 18.801 26.992 68.322 1.00 0.00 ATOM 1125 CE3 TRP A 150 16.998 28.202 69.393 1.00 0.00 ATOM 1126 NE1 TRP A 150 19.082 26.490 67.076 1.00 0.00 ATOM 1127 CZ2 TRP A 150 19.540 26.943 69.488 1.00 0.00 ATOM 1128 CZ3 TRP A 150 17.738 28.147 70.575 1.00 0.00 ATOM 1129 CH2 TRP A 150 19.007 27.512 70.611 1.00 0.00 ATOM 1130 O TRP A 150 12.870 27.570 65.065 1.00 0.00 ATOM 1131 C TRP A 150 13.265 27.754 66.229 1.00 0.00 ATOM 1132 N LEU A 151 12.601 28.500 67.111 1.00 0.00 ATOM 1133 CA LEU A 151 11.301 29.103 66.787 1.00 0.00 ATOM 1134 CB LEU A 151 10.430 29.151 68.040 1.00 0.00 ATOM 1135 CG LEU A 151 10.188 27.751 68.686 1.00 0.00 ATOM 1136 CD1 LEU A 151 9.396 27.827 69.985 1.00 0.00 ATOM 1137 CD2 LEU A 151 9.441 26.869 67.668 1.00 0.00 ATOM 1138 O LEU A 151 12.128 31.363 66.736 1.00 0.00 ATOM 1139 C LEU A 151 11.489 30.456 66.165 1.00 0.00 ATOM 1140 N VAL A 152 10.967 30.570 64.953 1.00 0.00 ATOM 1141 CA VAL A 152 11.042 31.790 64.158 1.00 0.00 ATOM 1142 CB VAL A 152 11.782 31.498 62.842 1.00 0.00 ATOM 1143 CG1 VAL A 152 11.684 32.707 61.892 1.00 0.00 ATOM 1144 CG2 VAL A 152 13.238 31.106 63.119 1.00 0.00 ATOM 1145 O VAL A 152 8.728 31.400 63.615 1.00 0.00 ATOM 1146 C VAL A 152 9.606 32.219 63.956 1.00 0.00 ATOM 1147 N THR A 153 9.327 33.490 64.237 1.00 0.00 ATOM 1148 CA THR A 153 8.019 34.036 64.070 1.00 0.00 ATOM 1149 CB THR A 153 8.033 35.505 64.473 1.00 0.00 ATOM 1150 CG2 THR A 153 6.711 36.066 64.333 1.00 0.00 ATOM 1151 OG1 THR A 153 8.443 35.586 65.844 1.00 0.00 ATOM 1152 O THR A 153 8.126 34.136 61.683 1.00 0.00 ATOM 1153 C THR A 153 7.441 33.875 62.649 1.00 0.00 ATOM 1154 N ASP A 154 6.167 33.476 62.564 1.00 0.00 ATOM 1155 CA ASP A 154 5.484 33.234 61.291 1.00 0.00 ATOM 1156 CB ASP A 154 4.167 32.508 61.486 1.00 0.00 ATOM 1157 CG ASP A 154 4.309 31.215 62.284 1.00 0.00 ATOM 1158 OD1 ASP A 154 4.302 31.297 63.527 1.00 0.00 ATOM 1159 OD2 ASP A 154 4.448 30.141 61.667 1.00 0.00 ATOM 1160 O ASP A 154 5.003 35.543 61.191 1.00 0.00 ATOM 1161 C ASP A 154 5.212 34.506 60.533 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2107126204.pdb -s /var/tmp/to_scwrl_2107126204.seq -o /var/tmp/from_scwrl_2107126204.pdb > /var/tmp/scwrl_2107126204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107126204.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 152 # 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 = -57.237 # GDT_score(maxd=8.000,maxw=2.900)= -58.603 # GDT_score(maxd=8.000,maxw=3.200)= -56.166 # GDT_score(maxd=8.000,maxw=3.500)= -53.435 # GDT_score(maxd=10.000,maxw=3.800)= -55.947 # GDT_score(maxd=10.000,maxw=4.000)= -54.087 # GDT_score(maxd=10.000,maxw=4.200)= -52.252 # GDT_score(maxd=12.000,maxw=4.300)= -55.612 # GDT_score(maxd=12.000,maxw=4.500)= -53.807 # GDT_score(maxd=12.000,maxw=4.700)= -52.063 # GDT_score(maxd=14.000,maxw=5.200)= -51.385 # GDT_score(maxd=14.000,maxw=5.500)= -49.099 # command:# request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1186553246.pdb -s /var/tmp/to_scwrl_1186553246.seq -o /var/tmp/from_scwrl_1186553246.pdb > /var/tmp/scwrl_1186553246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186553246.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 45 # 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 = -61.678 # GDT_score(maxd=8.000,maxw=2.900)= -62.138 # GDT_score(maxd=8.000,maxw=3.200)= -59.672 # GDT_score(maxd=8.000,maxw=3.500)= -56.941 # GDT_score(maxd=10.000,maxw=3.800)= -59.949 # GDT_score(maxd=10.000,maxw=4.000)= -58.048 # GDT_score(maxd=10.000,maxw=4.200)= -56.206 # GDT_score(maxd=12.000,maxw=4.300)= -60.041 # GDT_score(maxd=12.000,maxw=4.500)= -58.213 # GDT_score(maxd=12.000,maxw=4.700)= -56.442 # GDT_score(maxd=14.000,maxw=5.200)= -55.912 # GDT_score(maxd=14.000,maxw=5.500)= -53.473 # command:# request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1618645377.pdb -s /var/tmp/to_scwrl_1618645377.seq -o /var/tmp/from_scwrl_1618645377.pdb > /var/tmp/scwrl_1618645377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1618645377.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 151 # 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 = -57.566 # GDT_score(maxd=8.000,maxw=2.900)= -59.700 # GDT_score(maxd=8.000,maxw=3.200)= -57.040 # GDT_score(maxd=8.000,maxw=3.500)= -54.225 # GDT_score(maxd=10.000,maxw=3.800)= -56.747 # GDT_score(maxd=10.000,maxw=4.000)= -54.830 # GDT_score(maxd=10.000,maxw=4.200)= -52.959 # GDT_score(maxd=12.000,maxw=4.300)= -56.309 # GDT_score(maxd=12.000,maxw=4.500)= -54.483 # GDT_score(maxd=12.000,maxw=4.700)= -52.752 # GDT_score(maxd=14.000,maxw=5.200)= -52.043 # GDT_score(maxd=14.000,maxw=5.500)= -49.687 # command:# request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1328660349.pdb -s /var/tmp/to_scwrl_1328660349.seq -o /var/tmp/from_scwrl_1328660349.pdb > /var/tmp/scwrl_1328660349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328660349.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -58.553 # GDT_score(maxd=8.000,maxw=2.900)= -60.719 # GDT_score(maxd=8.000,maxw=3.200)= -58.025 # GDT_score(maxd=8.000,maxw=3.500)= -55.197 # GDT_score(maxd=10.000,maxw=3.800)= -57.980 # GDT_score(maxd=10.000,maxw=4.000)= -56.055 # GDT_score(maxd=10.000,maxw=4.200)= -54.172 # GDT_score(maxd=12.000,maxw=4.300)= -57.798 # GDT_score(maxd=12.000,maxw=4.500)= -55.945 # GDT_score(maxd=12.000,maxw=4.700)= -54.173 # GDT_score(maxd=14.000,maxw=5.200)= -53.581 # GDT_score(maxd=14.000,maxw=5.500)= -51.164 # command:# request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2091269626.pdb -s /var/tmp/to_scwrl_2091269626.seq -o /var/tmp/from_scwrl_2091269626.pdb > /var/tmp/scwrl_2091269626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091269626.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 T0370.try1-opt2.pdb looking for model 1 # Found a chain break before 149 # 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 = -59.046 # GDT_score(maxd=8.000,maxw=2.900)= -59.952 # GDT_score(maxd=8.000,maxw=3.200)= -57.530 # GDT_score(maxd=8.000,maxw=3.500)= -54.926 # GDT_score(maxd=10.000,maxw=3.800)= -57.911 # GDT_score(maxd=10.000,maxw=4.000)= -56.070 # GDT_score(maxd=10.000,maxw=4.200)= -54.250 # GDT_score(maxd=12.000,maxw=4.300)= -58.122 # GDT_score(maxd=12.000,maxw=4.500)= -56.312 # GDT_score(maxd=12.000,maxw=4.700)= -54.558 # GDT_score(maxd=14.000,maxw=5.200)= -54.150 # GDT_score(maxd=14.000,maxw=5.500)= -51.688 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0370.try1-real.pdb for output Error: Couldn't open file T0370.try1-real.pdb for output superimposing iter= 0 total_weight= 1768.000 rmsd (weighted)= 6.755 (unweighted)= 16.870 superimposing iter= 1 total_weight= 5138.880 rmsd (weighted)= 2.710 (unweighted)= 17.101 superimposing iter= 2 total_weight= 3127.799 rmsd (weighted)= 1.546 (unweighted)= 17.243 superimposing iter= 3 total_weight= 1937.810 rmsd (weighted)= 1.171 (unweighted)= 17.292 superimposing iter= 4 total_weight= 1433.799 rmsd (weighted)= 1.041 (unweighted)= 17.309 superimposing iter= 5 total_weight= 1264.220 rmsd (weighted)= 0.989 (unweighted)= 17.315 EXPDTA T0370.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0370.try1-opt2.pdb ATOM 1 N MET A 1 20.750 27.207 75.956 1.00 0.00 ATOM 2 CA MET A 1 21.312 27.540 74.645 1.00 0.00 ATOM 3 CB MET A 1 21.088 26.360 73.722 1.00 0.00 ATOM 4 CG MET A 1 21.246 26.699 72.261 1.00 0.00 ATOM 5 SD MET A 1 22.847 27.401 71.884 1.00 0.00 ATOM 6 CE MET A 1 23.027 26.885 70.228 1.00 0.00 ATOM 7 O MET A 1 19.207 28.411 73.875 1.00 0.00 ATOM 8 C MET A 1 20.434 28.510 73.851 1.00 0.00 ATOM 9 N THR A 2 21.057 29.469 73.143 1.00 0.00 ATOM 10 CA THR A 2 20.269 30.418 72.348 1.00 0.00 ATOM 11 CB THR A 2 20.975 31.773 72.129 1.00 0.00 ATOM 12 CG2 THR A 2 21.424 32.323 73.477 1.00 0.00 ATOM 13 OG1 THR A 2 22.242 31.773 71.440 1.00 0.00 ATOM 14 O THR A 2 20.519 28.761 70.632 1.00 0.00 ATOM 15 C THR A 2 19.866 29.722 71.050 1.00 0.00 ATOM 16 N THR A 3 18.810 30.208 70.402 1.00 0.00 ATOM 17 CA THR A 3 18.342 29.618 69.148 1.00 0.00 ATOM 18 CB THR A 3 17.037 30.279 68.667 1.00 0.00 ATOM 19 CG2 THR A 3 16.592 29.676 67.341 1.00 0.00 ATOM 20 OG1 THR A 3 16.005 30.071 69.639 1.00 0.00 ATOM 21 O THR A 3 19.658 28.809 67.311 1.00 0.00 ATOM 22 C THR A 3 19.415 29.748 68.063 1.00 0.00 ATOM 23 N PRO A 4 19.966 31.036 67.968 1.00 0.00 ATOM 24 CA PRO A 4 20.998 31.331 66.969 1.00 0.00 ATOM 25 CB PRO A 4 20.776 32.816 66.679 1.00 0.00 ATOM 26 CG PRO A 4 20.282 33.380 67.969 1.00 0.00 ATOM 27 CD PRO A 4 19.582 32.253 68.674 1.00 0.00 ATOM 28 O PRO A 4 22.584 31.471 68.771 1.00 0.00 ATOM 29 C PRO A 4 22.339 31.017 67.649 1.00 0.00 ATOM 30 N PRO A 5 23.161 30.242 66.950 1.00 0.00 ATOM 31 CA PRO A 5 24.482 29.851 67.482 1.00 0.00 ATOM 32 CB PRO A 5 24.921 28.702 66.573 1.00 0.00 ATOM 33 CG PRO A 5 24.242 28.975 65.273 1.00 0.00 ATOM 34 CD PRO A 5 22.918 29.596 65.614 1.00 0.00 ATOM 35 O PRO A 5 26.379 31.166 68.149 1.00 0.00 ATOM 36 C PRO A 5 25.412 31.058 67.396 1.00 0.00 ATOM 37 N ALA A 6 25.107 31.984 66.492 1.00 0.00 ATOM 38 CA ALA A 6 25.923 33.182 66.356 1.00 0.00 ATOM 39 CB ALA A 6 25.495 33.981 65.135 1.00 0.00 ATOM 40 O ALA A 6 26.699 34.531 68.185 1.00 0.00 ATOM 41 C ALA A 6 25.736 34.009 67.618 1.00 0.00 ATOM 42 N ARG A 7 24.489 34.112 68.073 1.00 0.00 ATOM 43 CA ARG A 7 24.199 34.879 69.276 1.00 0.00 ATOM 44 CB ARG A 7 22.689 35.039 69.456 1.00 0.00 ATOM 45 CG ARG A 7 22.292 35.892 70.650 1.00 0.00 ATOM 46 CD ARG A 7 20.789 36.111 70.699 1.00 0.00 ATOM 47 NE ARG A 7 20.391 36.929 71.842 1.00 0.00 ATOM 48 CZ ARG A 7 19.132 37.217 72.152 1.00 0.00 ATOM 49 NH1 ARG A 7 18.866 37.969 73.212 1.00 0.00 ATOM 50 NH2 ARG A 7 18.142 36.752 71.405 1.00 0.00 ATOM 51 O ARG A 7 25.344 34.789 71.389 1.00 0.00 ATOM 52 C ARG A 7 24.769 34.164 70.500 1.00 0.00 ATOM 53 N THR A 8 24.595 32.851 70.552 1.00 0.00 ATOM 54 CA THR A 8 25.118 32.072 71.669 1.00 0.00 ATOM 55 CB THR A 8 24.795 30.575 71.514 1.00 0.00 ATOM 56 CG2 THR A 8 25.386 29.779 72.666 1.00 0.00 ATOM 57 OG1 THR A 8 23.374 30.388 71.500 1.00 0.00 ATOM 58 O THR A 8 27.203 32.320 72.842 1.00 0.00 ATOM 59 C THR A 8 26.641 32.178 71.753 1.00 0.00 ATOM 60 N ALA A 9 27.326 32.126 70.602 1.00 0.00 ATOM 61 CA ALA A 9 28.782 32.229 70.578 1.00 0.00 ATOM 62 CB ALA A 9 29.286 32.130 69.146 1.00 0.00 ATOM 63 O ALA A 9 30.143 33.655 71.945 1.00 0.00 ATOM 64 C ALA A 9 29.208 33.572 71.155 1.00 0.00 ATOM 65 N LYS A 10 28.482 34.620 70.789 1.00 0.00 ATOM 66 CA LYS A 10 28.785 35.966 71.262 1.00 0.00 ATOM 67 CB LYS A 10 27.848 36.985 70.611 1.00 0.00 ATOM 68 CG LYS A 10 28.119 38.426 71.017 1.00 0.00 ATOM 69 CD LYS A 10 27.202 39.389 70.281 1.00 0.00 ATOM 70 CE LYS A 10 27.440 40.823 70.722 1.00 0.00 ATOM 71 NZ LYS A 10 26.533 41.777 70.026 1.00 0.00 ATOM 72 O LYS A 10 29.468 36.630 73.470 1.00 0.00 ATOM 73 C LYS A 10 28.617 36.072 72.775 1.00 0.00 ATOM 74 N GLN A 11 27.504 35.550 73.282 1.00 0.00 ATOM 75 CA GLN A 11 27.229 35.577 74.713 1.00 0.00 ATOM 76 CB GLN A 11 25.828 35.032 75.000 1.00 0.00 ATOM 77 CG GLN A 11 24.701 35.938 74.532 1.00 0.00 ATOM 78 CD GLN A 11 23.333 35.317 74.730 1.00 0.00 ATOM 79 OE1 GLN A 11 23.219 34.158 75.131 1.00 0.00 ATOM 80 NE2 GLN A 11 22.289 36.088 74.452 1.00 0.00 ATOM 81 O GLN A 11 28.669 35.122 76.579 1.00 0.00 ATOM 82 C GLN A 11 28.228 34.728 75.502 1.00 0.00 ATOM 83 N ARG A 12 28.566 33.556 74.976 1.00 0.00 ATOM 84 CA ARG A 12 29.522 32.678 75.651 1.00 0.00 ATOM 85 CB ARG A 12 29.752 31.395 74.948 1.00 0.00 ATOM 86 CG ARG A 12 28.717 30.330 75.316 1.00 0.00 ATOM 87 CD ARG A 12 29.007 29.726 76.688 1.00 0.00 ATOM 88 NE ARG A 12 28.212 28.522 76.955 1.00 0.00 ATOM 89 CZ ARG A 12 26.960 28.521 77.413 1.00 0.00 ATOM 90 NH1 ARG A 12 26.329 27.368 77.619 1.00 0.00 ATOM 91 NH2 ARG A 12 26.338 29.664 77.673 1.00 0.00 ATOM 92 O ARG A 12 31.588 33.289 76.683 1.00 0.00 ATOM 93 C ARG A 12 30.881 33.384 75.663 1.00 0.00 ATOM 94 N ILE A 13 31.254 34.024 74.574 1.00 0.00 ATOM 95 CA ILE A 13 32.535 34.747 74.546 1.00 0.00 ATOM 96 CB ILE A 13 32.750 35.388 73.163 1.00 0.00 ATOM 97 CG1 ILE A 13 32.964 34.309 72.101 1.00 0.00 ATOM 98 CG2 ILE A 13 33.971 36.297 73.180 1.00 0.00 ATOM 99 CD1 ILE A 13 32.919 34.831 70.681 1.00 0.00 ATOM 100 O ILE A 13 33.533 36.026 76.317 1.00 0.00 ATOM 101 C ILE A 13 32.548 35.850 75.600 1.00 0.00 ATOM 102 N GLN A 14 31.435 36.565 75.734 1.00 0.00 ATOM 103 CA GLN A 14 31.369 37.649 76.709 1.00 0.00 ATOM 104 CB GLN A 14 30.079 38.452 76.530 1.00 0.00 ATOM 105 CG GLN A 14 30.032 39.272 75.252 1.00 0.00 ATOM 106 CD GLN A 14 28.714 40.004 75.077 1.00 0.00 ATOM 107 OE1 GLN A 14 27.806 39.870 75.899 1.00 0.00 ATOM 108 NE2 GLN A 14 28.607 40.780 74.007 1.00 0.00 ATOM 109 O GLN A 14 32.145 37.664 78.988 1.00 0.00 ATOM 110 C GLN A 14 31.483 37.074 78.125 1.00 0.00 ATOM 111 N ASP A 15 30.794 35.953 78.400 1.00 0.00 ATOM 112 CA ASP A 15 30.845 35.376 79.732 1.00 0.00 ATOM 113 CB ASP A 15 29.980 34.114 79.764 1.00 0.00 ATOM 114 CG ASP A 15 28.496 34.424 79.702 1.00 0.00 ATOM 115 OD1 ASP A 15 28.128 35.603 79.884 1.00 0.00 ATOM 116 OD2 ASP A 15 27.704 33.486 79.473 1.00 0.00 ATOM 117 O ASP A 15 32.704 35.211 81.269 1.00 0.00 ATOM 118 C ASP A 15 32.282 35.004 80.127 1.00 0.00 ATOM 119 N THR A 16 33.050 34.492 79.165 1.00 0.00 ATOM 120 CA THR A 16 34.440 34.127 79.421 1.00 0.00 ATOM 121 CB THR A 16 35.071 33.419 78.207 1.00 0.00 ATOM 122 CG2 THR A 16 36.528 33.083 78.484 1.00 0.00 ATOM 123 OG1 THR A 16 34.358 32.206 77.933 1.00 0.00 ATOM 124 O THR A 16 36.100 35.411 80.598 1.00 0.00 ATOM 125 C THR A 16 35.246 35.387 79.710 1.00 0.00 ATOM 126 N LEU A 17 34.952 36.436 78.954 1.00 0.00 ATOM 127 CA LEU A 17 35.637 37.710 79.095 1.00 0.00 ATOM 128 CB LEU A 17 35.161 38.682 78.001 1.00 0.00 ATOM 129 CG LEU A 17 35.502 38.261 76.566 1.00 0.00 ATOM 130 CD1 LEU A 17 34.992 39.326 75.602 1.00 0.00 ATOM 131 CD2 LEU A 17 37.016 38.058 76.417 1.00 0.00 ATOM 132 O LEU A 17 36.299 38.895 81.039 1.00 0.00 ATOM 133 C LEU A 17 35.403 38.314 80.468 1.00 0.00 ATOM 134 N ASN A 18 34.170 38.160 80.952 1.00 0.00 ATOM 135 CA ASN A 18 33.763 38.694 82.242 1.00 0.00 ATOM 136 CB ASN A 18 32.238 38.778 82.325 1.00 0.00 ATOM 137 CG ASN A 18 31.664 39.865 81.437 1.00 0.00 ATOM 138 ND2 ASN A 18 30.393 39.728 81.081 1.00 0.00 ATOM 139 OD1 ASN A 18 32.358 40.816 81.078 1.00 0.00 ATOM 140 O ASN A 18 34.065 38.138 84.561 1.00 0.00 ATOM 141 C ASN A 18 34.267 37.823 83.390 1.00 0.00 ATOM 142 N ARG A 19 34.918 36.722 83.036 1.00 0.00 ATOM 143 CA ARG A 19 35.470 35.786 84.002 1.00 0.00 ATOM 144 CB ARG A 19 36.564 36.450 84.839 1.00 0.00 ATOM 145 CG ARG A 19 37.771 36.907 84.035 1.00 0.00 ATOM 146 CD ARG A 19 38.864 37.449 84.940 1.00 0.00 ATOM 147 NE ARG A 19 39.936 38.090 84.181 1.00 0.00 ATOM 148 CZ ARG A 19 41.025 38.618 84.728 1.00 0.00 ATOM 149 NH1 ARG A 19 41.946 39.181 83.957 1.00 0.00 ATOM 150 NH2 ARG A 19 41.191 38.584 86.043 1.00 0.00 ATOM 151 O ARG A 19 34.657 35.314 86.199 1.00 0.00 ATOM 152 C ARG A 19 34.491 35.196 84.988 1.00 0.00 ATOM 153 N LEU A 20 33.351 34.642 84.396 1.00 0.00 ATOM 154 CA LEU A 20 32.335 34.009 85.212 1.00 0.00 ATOM 155 CB LEU A 20 31.017 33.921 84.440 1.00 0.00 ATOM 156 CG LEU A 20 30.391 35.252 84.015 1.00 0.00 ATOM 157 CD1 LEU A 20 29.146 35.014 83.174 1.00 0.00 ATOM 158 CD2 LEU A 20 29.993 36.072 85.232 1.00 0.00 ATOM 159 O LEU A 20 33.656 32.114 84.662 1.00 0.00 ATOM 160 C LEU A 20 32.929 32.650 85.493 1.00 0.00 ATOM 161 N GLU A 21 32.596 32.069 86.638 1.00 0.00 ATOM 162 CA GLU A 21 33.141 30.762 86.963 1.00 0.00 ATOM 163 CB GLU A 21 32.875 30.423 88.430 1.00 0.00 ATOM 164 CG GLU A 21 33.512 29.123 88.892 1.00 0.00 ATOM 165 CD GLU A 21 33.269 28.844 90.362 1.00 0.00 ATOM 166 OE1 GLU A 21 32.603 29.672 91.021 1.00 0.00 ATOM 167 OE2 GLU A 21 33.744 27.800 90.855 1.00 0.00 ATOM 168 O GLU A 21 31.258 29.836 85.792 1.00 0.00 ATOM 169 C GLU A 21 32.460 29.747 86.052 1.00 0.00 ATOM 170 N LEU A 22 33.338 28.871 85.420 1.00 0.00 ATOM 171 CA LEU A 22 32.828 27.832 84.535 1.00 0.00 ATOM 172 CB LEU A 22 32.184 26.710 85.351 1.00 0.00 ATOM 173 CG LEU A 22 33.098 25.975 86.333 1.00 0.00 ATOM 174 CD1 LEU A 22 32.305 24.971 87.158 1.00 0.00 ATOM 175 CD2 LEU A 22 34.190 25.222 85.590 1.00 0.00 ATOM 176 O LEU A 22 30.577 28.094 83.756 1.00 0.00 ATOM 177 C LEU A 22 31.768 28.333 83.549 1.00 0.00 ATOM 178 N ASP A 23 32.175 29.193 82.511 1.00 0.00 ATOM 179 CA ASP A 23 31.175 29.723 81.586 1.00 0.00 ATOM 180 CB ASP A 23 31.777 30.734 80.666 1.00 0.00 ATOM 181 CG ASP A 23 32.296 31.904 81.431 1.00 0.00 ATOM 182 OD1 ASP A 23 31.456 32.621 82.049 1.00 0.00 ATOM 183 OD2 ASP A 23 33.486 32.179 81.533 1.00 0.00 ATOM 184 O ASP A 23 29.460 28.735 80.250 1.00 0.00 ATOM 185 C ASP A 23 30.591 28.609 80.734 1.00 0.00 ATOM 186 N VAL A 24 31.381 27.529 80.540 1.00 0.00 ATOM 187 CA VAL A 24 30.883 26.378 79.802 1.00 0.00 ATOM 188 CB VAL A 24 31.982 25.750 78.927 1.00 0.00 ATOM 189 CG1 VAL A 24 32.502 26.761 77.917 1.00 0.00 ATOM 190 CG2 VAL A 24 33.148 25.286 79.786 1.00 0.00 ATOM 191 O VAL A 24 29.994 24.231 80.222 1.00 0.00 ATOM 192 C VAL A 24 30.395 25.269 80.706 1.00 0.00 ATOM 193 N ASP A 25 30.357 25.615 82.099 1.00 0.00 ATOM 194 CA ASP A 25 29.855 24.646 83.062 1.00 0.00 ATOM 195 CB ASP A 25 30.253 25.052 84.483 1.00 0.00 ATOM 196 CG ASP A 25 29.832 24.029 85.519 1.00 0.00 ATOM 197 OD1 ASP A 25 30.414 22.924 85.534 1.00 0.00 ATOM 198 OD2 ASP A 25 28.919 24.331 86.316 1.00 0.00 ATOM 199 O ASP A 25 27.635 25.582 82.921 1.00 0.00 ATOM 200 C ASP A 25 28.333 24.560 82.959 1.00 0.00 ATOM 201 N ALA A 26 27.821 23.335 82.874 1.00 0.00 ATOM 202 CA ALA A 26 26.383 23.121 82.788 1.00 0.00 ATOM 203 CB ALA A 26 25.963 22.881 81.346 1.00 0.00 ATOM 204 O ALA A 26 26.787 20.948 83.708 1.00 0.00 ATOM 205 C ALA A 26 26.019 21.903 83.628 1.00 0.00 ATOM 206 N TRP A 27 24.836 21.930 84.233 1.00 0.00 ATOM 207 CA TRP A 27 24.378 20.805 85.046 1.00 0.00 ATOM 208 CB TRP A 27 23.292 21.293 85.997 1.00 0.00 ATOM 209 CG TRP A 27 23.744 22.424 86.902 1.00 0.00 ATOM 210 CD1 TRP A 27 23.755 23.767 86.593 1.00 0.00 ATOM 211 CD2 TRP A 27 24.246 22.321 88.249 1.00 0.00 ATOM 212 CE2 TRP A 27 24.540 23.638 88.691 1.00 0.00 ATOM 213 CE3 TRP A 27 24.482 21.246 89.130 1.00 0.00 ATOM 214 NE1 TRP A 27 24.230 24.490 87.661 1.00 0.00 ATOM 215 CZ2 TRP A 27 25.049 23.913 89.962 1.00 0.00 ATOM 216 CZ3 TRP A 27 24.987 21.511 90.398 1.00 0.00 ATOM 217 CH2 TRP A 27 25.269 22.848 90.806 1.00 0.00 ATOM 218 O TRP A 27 22.853 20.258 83.280 1.00 0.00 ATOM 219 C TRP A 27 23.683 19.845 84.096 1.00 0.00 ATOM 220 N VAL A 28 24.025 18.563 84.141 1.00 0.00 ATOM 221 CA VAL A 28 23.358 17.616 83.250 1.00 0.00 ATOM 222 CB VAL A 28 24.443 16.742 82.510 1.00 0.00 ATOM 223 CG1 VAL A 28 23.821 15.545 81.866 1.00 0.00 ATOM 224 CG2 VAL A 28 25.244 17.549 81.506 1.00 0.00 ATOM 225 O VAL A 28 23.043 16.138 85.134 1.00 0.00 ATOM 226 C VAL A 28 22.552 16.682 84.128 1.00 0.00 ATOM 227 N SER A 29 21.275 16.570 83.805 1.00 0.00 ATOM 228 CA SER A 29 20.394 15.709 84.559 1.00 0.00 ATOM 229 CB SER A 29 19.105 16.448 84.923 1.00 0.00 ATOM 230 OG SER A 29 18.189 15.585 85.574 1.00 0.00 ATOM 231 O SER A 29 19.688 14.641 82.541 1.00 0.00 ATOM 232 C SER A 29 20.057 14.499 83.713 1.00 0.00 ATOM 233 N THR A 30 20.171 13.319 84.329 1.00 0.00 ATOM 234 CA THR A 30 19.837 12.045 83.686 1.00 0.00 ATOM 235 CB THR A 30 21.092 11.181 83.459 1.00 0.00 ATOM 236 CG2 THR A 30 22.128 11.949 82.654 1.00 0.00 ATOM 237 OG1 THR A 30 21.661 10.819 84.723 1.00 0.00 ATOM 238 O THR A 30 18.537 11.892 85.695 1.00 0.00 ATOM 239 C THR A 30 18.869 11.337 84.638 1.00 0.00 ATOM 240 N ALA A 31 18.266 10.242 84.190 1.00 0.00 ATOM 241 CA ALA A 31 17.299 9.518 85.014 1.00 0.00 ATOM 242 CB ALA A 31 15.895 9.682 84.452 1.00 0.00 ATOM 243 O ALA A 31 17.939 7.451 84.005 1.00 0.00 ATOM 244 C ALA A 31 17.657 8.036 85.049 1.00 0.00 ATOM 245 N GLY A 32 17.593 7.414 86.228 1.00 0.00 ATOM 246 CA GLY A 32 17.926 5.994 86.319 1.00 0.00 ATOM 247 O GLY A 32 15.641 5.590 85.702 1.00 0.00 ATOM 248 C GLY A 32 16.723 5.099 86.025 1.00 0.00 ATOM 249 N ALA A 33 16.921 3.789 86.123 1.00 0.00 ATOM 250 CA ALA A 33 15.863 2.817 85.819 1.00 0.00 ATOM 251 CB ALA A 33 16.398 1.398 85.943 1.00 0.00 ATOM 252 O ALA A 33 13.585 2.372 86.396 1.00 0.00 ATOM 253 C ALA A 33 14.644 2.903 86.730 1.00 0.00 ATOM 254 N ASP A 34 14.773 3.573 87.869 1.00 0.00 ATOM 255 CA ASP A 34 13.684 3.697 88.809 1.00 0.00 ATOM 256 CB ASP A 34 14.123 4.501 90.034 1.00 0.00 ATOM 257 CG ASP A 34 15.057 3.721 90.939 1.00 0.00 ATOM 258 OD1 ASP A 34 15.217 2.502 90.717 1.00 0.00 ATOM 259 OD2 ASP A 34 15.629 4.329 91.868 1.00 0.00 ATOM 260 O ASP A 34 12.604 5.240 87.348 1.00 0.00 ATOM 261 C ASP A 34 12.480 4.395 88.233 1.00 0.00 ATOM 262 N GLY A 35 11.317 4.056 88.778 1.00 0.00 ATOM 263 CA GLY A 35 10.132 4.825 88.371 1.00 0.00 ATOM 264 O GLY A 35 10.942 6.695 89.706 1.00 0.00 ATOM 265 C GLY A 35 10.384 6.295 88.670 1.00 0.00 ATOM 266 N GLY A 36 9.946 7.158 87.772 1.00 0.00 ATOM 267 CA GLY A 36 10.125 8.590 87.928 1.00 0.00 ATOM 268 O GLY A 36 11.685 10.356 87.789 1.00 0.00 ATOM 269 C GLY A 36 11.492 9.134 87.693 1.00 0.00 ATOM 270 N ALA A 37 13.994 8.469 89.155 1.00 0.00 ATOM 271 CA ALA A 37 14.898 9.335 89.909 1.00 0.00 ATOM 272 CB ALA A 37 15.777 8.508 90.833 1.00 0.00 ATOM 273 O ALA A 37 16.655 9.668 88.323 1.00 0.00 ATOM 274 C ALA A 37 15.860 10.193 89.096 1.00 0.00 ATOM 275 N PRO A 38 15.783 11.531 89.233 1.00 0.00 ATOM 276 CA PRO A 38 16.729 12.339 88.458 1.00 0.00 ATOM 277 CB PRO A 38 16.071 13.718 88.383 1.00 0.00 ATOM 278 CG PRO A 38 15.258 13.813 89.631 1.00 0.00 ATOM 279 CD PRO A 38 14.728 12.428 89.888 1.00 0.00 ATOM 280 O PRO A 38 18.101 12.595 90.448 1.00 0.00 ATOM 281 C PRO A 38 18.065 12.468 89.202 1.00 0.00 ATOM 282 N TYR A 39 19.145 12.445 88.420 1.00 0.00 ATOM 283 CA TYR A 39 20.510 12.662 88.900 1.00 0.00 ATOM 284 CB TYR A 39 21.299 11.380 88.625 1.00 0.00 ATOM 285 CG TYR A 39 20.735 10.155 89.307 1.00 0.00 ATOM 286 CD1 TYR A 39 19.773 9.372 88.682 1.00 0.00 ATOM 287 CD2 TYR A 39 21.166 9.785 90.574 1.00 0.00 ATOM 288 CE1 TYR A 39 19.252 8.250 89.298 1.00 0.00 ATOM 289 CE2 TYR A 39 20.656 8.667 91.207 1.00 0.00 ATOM 290 CZ TYR A 39 19.693 7.899 90.556 1.00 0.00 ATOM 291 OH TYR A 39 19.174 6.782 91.171 1.00 0.00 ATOM 292 O TYR A 39 20.782 14.130 87.034 1.00 0.00 ATOM 293 C TYR A 39 21.145 13.840 88.177 1.00 0.00 ATOM 294 N LEU A 40 22.097 14.501 88.832 1.00 0.00 ATOM 295 CA LEU A 40 22.757 15.664 88.247 1.00 0.00 ATOM 296 CB LEU A 40 22.213 16.893 88.934 1.00 0.00 ATOM 297 CG LEU A 40 22.516 18.201 88.286 1.00 0.00 ATOM 298 CD1 LEU A 40 22.060 18.090 86.883 1.00 0.00 ATOM 299 CD2 LEU A 40 21.750 19.340 88.911 1.00 0.00 ATOM 300 O LEU A 40 24.639 15.670 89.765 1.00 0.00 ATOM 301 C LEU A 40 24.228 15.843 88.589 1.00 0.00 ATOM 302 N VAL A 41 24.996 16.261 87.554 1.00 0.00 ATOM 303 CA VAL A 41 26.421 16.515 87.711 1.00 0.00 ATOM 304 CB VAL A 41 27.181 15.199 87.452 1.00 0.00 ATOM 305 CG1 VAL A 41 27.004 14.759 86.008 1.00 0.00 ATOM 306 CG2 VAL A 41 28.666 15.381 87.722 1.00 0.00 ATOM 307 O VAL A 41 26.226 17.616 85.605 1.00 0.00 ATOM 308 C VAL A 41 26.804 17.571 86.683 1.00 0.00 ATOM 309 N PRO A 42 27.747 18.500 87.111 1.00 0.00 ATOM 310 CA PRO A 42 28.196 19.534 86.170 1.00 0.00 ATOM 311 CB PRO A 42 28.796 20.588 87.073 1.00 0.00 ATOM 312 CG PRO A 42 29.261 19.822 88.265 1.00 0.00 ATOM 313 CD PRO A 42 28.342 18.673 88.439 1.00 0.00 ATOM 314 O PRO A 42 30.058 18.103 85.604 1.00 0.00 ATOM 315 C PRO A 42 29.200 18.908 85.204 1.00 0.00 ATOM 316 N LEU A 43 29.091 19.288 83.932 1.00 0.00 ATOM 317 CA LEU A 43 30.049 18.883 82.909 1.00 0.00 ATOM 318 CB LEU A 43 29.493 17.722 82.083 1.00 0.00 ATOM 319 CG LEU A 43 29.196 16.430 82.847 1.00 0.00 ATOM 320 CD1 LEU A 43 28.385 15.472 81.988 1.00 0.00 ATOM 321 CD2 LEU A 43 30.488 15.733 83.246 1.00 0.00 ATOM 322 O LEU A 43 29.548 21.106 82.130 1.00 0.00 ATOM 323 C LEU A 43 30.282 20.118 82.034 1.00 0.00 ATOM 324 N SER A 44 31.293 20.067 81.182 1.00 0.00 ATOM 325 CA SER A 44 31.568 21.201 80.315 1.00 0.00 ATOM 326 CB SER A 44 33.057 21.556 80.342 1.00 0.00 ATOM 327 OG SER A 44 33.443 22.040 81.616 1.00 0.00 ATOM 328 O SER A 44 31.547 19.863 78.323 1.00 0.00 ATOM 329 C SER A 44 31.202 20.918 78.866 1.00 0.00 ATOM 330 N TYR A 45 30.505 21.871 78.256 1.00 0.00 ATOM 331 CA TYR A 45 30.054 21.743 76.879 1.00 0.00 ATOM 332 CB TYR A 45 29.192 22.966 76.534 1.00 0.00 ATOM 333 CG TYR A 45 27.770 22.904 77.119 1.00 0.00 ATOM 334 CD1 TYR A 45 26.968 21.862 76.674 1.00 0.00 ATOM 335 CD2 TYR A 45 27.303 23.881 77.988 1.00 0.00 ATOM 336 CE1 TYR A 45 25.542 21.745 77.002 1.00 0.00 ATOM 337 CE2 TYR A 45 25.924 23.832 78.380 1.00 0.00 ATOM 338 CZ TYR A 45 25.104 22.759 77.826 1.00 0.00 ATOM 339 OH TYR A 45 23.703 22.706 77.973 1.00 0.00 ATOM 340 O TYR A 45 32.057 22.871 76.175 1.00 0.00 ATOM 341 C TYR A 45 31.329 21.881 76.037 1.00 0.00 ATOM 342 N LEU A 46 31.062 21.784 73.714 1.00 0.00 ATOM 343 CA LEU A 46 30.898 21.976 72.277 1.00 0.00 ATOM 344 CB LEU A 46 31.648 20.890 71.503 1.00 0.00 ATOM 345 CG LEU A 46 33.172 20.902 71.621 1.00 0.00 ATOM 346 CD1 LEU A 46 33.775 19.699 70.914 1.00 0.00 ATOM 347 CD2 LEU A 46 33.751 22.162 70.996 1.00 0.00 ATOM 348 O LEU A 46 28.637 21.257 72.617 1.00 0.00 ATOM 349 C LEU A 46 29.422 21.906 71.922 1.00 0.00 ATOM 350 N TRP A 47 29.041 22.578 70.843 1.00 0.00 ATOM 351 CA TRP A 47 27.661 22.548 70.409 1.00 0.00 ATOM 352 CB TRP A 47 26.824 23.543 71.215 1.00 0.00 ATOM 353 CG TRP A 47 27.269 24.964 71.061 1.00 0.00 ATOM 354 CD1 TRP A 47 26.846 25.858 70.119 1.00 0.00 ATOM 355 CD2 TRP A 47 28.225 25.658 71.873 1.00 0.00 ATOM 356 CE2 TRP A 47 28.331 26.968 71.366 1.00 0.00 ATOM 357 CE3 TRP A 47 29.000 25.299 72.979 1.00 0.00 ATOM 358 NE1 TRP A 47 27.478 27.066 70.293 1.00 0.00 ATOM 359 CZ2 TRP A 47 29.180 27.919 71.926 1.00 0.00 ATOM 360 CZ3 TRP A 47 29.841 26.247 73.533 1.00 0.00 ATOM 361 CH2 TRP A 47 29.927 27.540 73.008 1.00 0.00 ATOM 362 O TRP A 47 28.352 23.639 68.383 1.00 0.00 ATOM 363 C TRP A 47 27.528 22.912 68.935 1.00 0.00 ATOM 364 N ASP A 48 26.508 22.345 68.304 1.00 0.00 ATOM 365 CA ASP A 48 26.168 22.610 66.910 1.00 0.00 ATOM 366 CB ASP A 48 27.103 21.840 65.974 1.00 0.00 ATOM 367 CG ASP A 48 26.948 20.337 66.104 1.00 0.00 ATOM 368 OD1 ASP A 48 25.950 19.893 66.711 1.00 0.00 ATOM 369 OD2 ASP A 48 27.824 19.604 65.599 1.00 0.00 ATOM 370 O ASP A 48 24.075 21.789 67.752 1.00 0.00 ATOM 371 C ASP A 48 24.729 22.138 66.763 1.00 0.00 ATOM 372 N GLY A 49 24.038 22.231 65.472 1.00 0.00 ATOM 373 CA GLY A 49 22.658 21.797 65.347 1.00 0.00 ATOM 374 O GLY A 49 21.244 20.055 66.223 1.00 0.00 ATOM 375 C GLY A 49 22.368 20.384 65.839 1.00 0.00 ATOM 376 N GLU A 50 23.390 19.530 65.778 1.00 0.00 ATOM 377 CA GLU A 50 23.256 18.130 66.184 1.00 0.00 ATOM 378 CB GLU A 50 24.460 17.383 65.694 1.00 0.00 ATOM 379 CG GLU A 50 24.517 17.338 64.158 1.00 0.00 ATOM 380 CD GLU A 50 23.237 16.973 63.434 1.00 0.00 ATOM 381 OE1 GLU A 50 22.509 16.014 63.780 1.00 0.00 ATOM 382 OE2 GLU A 50 22.897 17.633 62.408 1.00 0.00 ATOM 383 O GLU A 50 22.505 17.002 68.159 1.00 0.00 ATOM 384 C GLU A 50 23.204 17.898 67.673 1.00 0.00 ATOM 385 N THR A 51 23.614 19.021 68.464 1.00 0.00 ATOM 386 CA THR A 51 23.635 18.877 69.890 1.00 0.00 ATOM 387 CB THR A 51 23.783 17.347 70.243 1.00 0.00 ATOM 388 CG2 THR A 51 22.611 16.487 69.720 1.00 0.00 ATOM 389 OG1 THR A 51 24.975 16.891 69.596 1.00 0.00 ATOM 390 O THR A 51 25.714 20.063 70.054 1.00 0.00 ATOM 391 C THR A 51 24.805 19.473 70.647 1.00 0.00 ATOM 392 N PHE A 52 24.766 19.326 71.973 1.00 0.00 ATOM 393 CA PHE A 52 25.812 19.837 72.858 1.00 0.00 ATOM 394 CB PHE A 52 25.213 20.582 74.052 1.00 0.00 ATOM 395 CG PHE A 52 24.535 21.872 73.683 1.00 0.00 ATOM 396 CD1 PHE A 52 23.170 21.915 73.462 1.00 0.00 ATOM 397 CD2 PHE A 52 25.265 23.042 73.557 1.00 0.00 ATOM 398 CE1 PHE A 52 22.547 23.101 73.123 1.00 0.00 ATOM 399 CE2 PHE A 52 24.641 24.228 73.219 1.00 0.00 ATOM 400 CZ PHE A 52 23.289 24.261 73.001 1.00 0.00 ATOM 401 O PHE A 52 26.074 17.632 73.780 1.00 0.00 ATOM 402 C PHE A 52 26.628 18.655 73.369 1.00 0.00 ATOM 403 N LEU A 53 27.947 18.824 73.361 1.00 0.00 ATOM 404 CA LEU A 53 28.869 17.751 73.729 1.00 0.00 ATOM 405 CB LEU A 53 29.906 17.533 72.625 1.00 0.00 ATOM 406 CG LEU A 53 29.468 16.661 71.447 1.00 0.00 ATOM 407 CD1 LEU A 53 28.237 17.248 70.772 1.00 0.00 ATOM 408 CD2 LEU A 53 30.578 16.563 70.409 1.00 0.00 ATOM 409 O LEU A 53 30.293 19.030 75.194 1.00 0.00 ATOM 410 C LEU A 53 29.688 17.979 75.005 1.00 0.00 ATOM 411 N VAL A 54 29.677 16.632 75.642 1.00 0.00 ATOM 412 CA VAL A 54 30.415 16.647 76.896 1.00 0.00 ATOM 413 CB VAL A 54 29.476 16.764 78.112 1.00 0.00 ATOM 414 CG1 VAL A 54 28.712 18.080 78.070 1.00 0.00 ATOM 415 CG2 VAL A 54 28.469 15.624 78.120 1.00 0.00 ATOM 416 O VAL A 54 30.893 14.399 76.218 1.00 0.00 ATOM 417 C VAL A 54 31.189 15.332 76.968 1.00 0.00 ATOM 418 N ALA A 55 32.234 15.290 77.791 1.00 0.00 ATOM 419 CA ALA A 55 33.036 14.078 77.933 1.00 0.00 ATOM 420 CB ALA A 55 34.482 14.392 77.830 1.00 0.00 ATOM 421 O ALA A 55 32.645 14.365 80.276 1.00 0.00 ATOM 422 C ALA A 55 32.942 13.586 79.369 1.00 0.00 ATOM 423 N THR A 56 33.127 12.284 79.564 1.00 0.00 ATOM 424 CA THR A 56 33.003 11.713 80.900 1.00 0.00 ATOM 425 CB THR A 56 31.528 11.600 81.331 1.00 0.00 ATOM 426 CG2 THR A 56 30.823 10.512 80.537 1.00 0.00 ATOM 427 OG1 THR A 56 31.459 11.278 82.726 1.00 0.00 ATOM 428 O THR A 56 33.659 9.667 79.842 1.00 0.00 ATOM 429 C THR A 56 33.539 10.282 80.904 1.00 0.00 ATOM 430 N PRO A 57 33.866 9.837 82.224 1.00 0.00 ATOM 431 CA PRO A 57 34.158 8.406 82.383 1.00 0.00 ATOM 432 CB PRO A 57 34.541 8.290 83.862 1.00 0.00 ATOM 433 CG PRO A 57 35.001 9.656 84.234 1.00 0.00 ATOM 434 CD PRO A 57 34.083 10.578 83.481 1.00 0.00 ATOM 435 O PRO A 57 31.895 7.700 82.727 1.00 0.00 ATOM 436 C PRO A 57 32.957 7.494 82.118 1.00 0.00 ATOM 437 N ALA A 58 33.102 6.551 81.213 1.00 0.00 ATOM 438 CA ALA A 58 32.042 5.669 80.850 1.00 0.00 ATOM 439 CB ALA A 58 32.443 4.761 79.697 1.00 0.00 ATOM 440 O ALA A 58 30.400 4.284 81.919 1.00 0.00 ATOM 441 C ALA A 58 31.509 4.801 82.012 1.00 0.00 ATOM 442 N ALA A 59 32.331 4.653 83.025 1.00 0.00 ATOM 443 CA ALA A 59 31.919 3.851 84.184 1.00 0.00 ATOM 444 CB ALA A 59 33.127 3.164 84.802 1.00 0.00 ATOM 445 O ALA A 59 30.811 4.150 86.307 1.00 0.00 ATOM 446 C ALA A 59 31.235 4.680 85.273 1.00 0.00 ATOM 447 N SER A 60 31.122 5.986 85.034 1.00 0.00 ATOM 448 CA SER A 60 30.501 6.901 85.996 1.00 0.00 ATOM 449 CB SER A 60 30.689 8.353 85.551 1.00 0.00 ATOM 450 OG SER A 60 29.949 8.625 84.375 1.00 0.00 ATOM 451 O SER A 60 28.346 5.998 85.370 1.00 0.00 ATOM 452 C SER A 60 29.000 6.687 86.166 1.00 0.00 ATOM 453 N PRO A 61 28.453 7.296 87.214 1.00 0.00 ATOM 454 CA PRO A 61 27.032 7.164 87.491 1.00 0.00 ATOM 455 CB PRO A 61 26.845 7.901 88.819 1.00 0.00 ATOM 456 CG PRO A 61 28.023 8.811 88.911 1.00 0.00 ATOM 457 CD PRO A 61 29.150 8.106 88.208 1.00 0.00 ATOM 458 O PRO A 61 25.134 7.273 86.018 1.00 0.00 ATOM 459 C PRO A 61 26.196 7.787 86.377 1.00 0.00 ATOM 460 N THR A 62 26.625 8.934 85.791 1.00 0.00 ATOM 461 CA THR A 62 25.892 9.590 84.717 1.00 0.00 ATOM 462 CB THR A 62 26.489 10.946 84.298 1.00 0.00 ATOM 463 CG2 THR A 62 25.663 11.571 83.185 1.00 0.00 ATOM 464 OG1 THR A 62 26.498 11.834 85.423 1.00 0.00 ATOM 465 O THR A 62 24.790 8.635 82.808 1.00 0.00 ATOM 466 C THR A 62 25.825 8.700 83.467 1.00 0.00 ATOM 467 N GLY A 63 26.916 7.988 83.174 1.00 0.00 ATOM 468 CA GLY A 63 26.951 7.097 82.003 1.00 0.00 ATOM 469 O GLY A 63 25.263 5.530 81.329 1.00 0.00 ATOM 470 C GLY A 63 26.019 5.905 82.221 1.00 0.00 ATOM 471 N ARG A 64 26.078 5.303 83.405 1.00 0.00 ATOM 472 CA ARG A 64 25.199 4.173 83.707 1.00 0.00 ATOM 473 CB ARG A 64 25.484 3.632 85.109 1.00 0.00 ATOM 474 CG ARG A 64 26.812 2.903 85.236 1.00 0.00 ATOM 475 CD ARG A 64 27.064 2.459 86.667 1.00 0.00 ATOM 476 NE ARG A 64 28.350 1.780 86.812 1.00 0.00 ATOM 477 CZ ARG A 64 28.846 1.357 87.969 1.00 0.00 ATOM 478 NH1 ARG A 64 30.023 0.750 88.004 1.00 0.00 ATOM 479 NH2 ARG A 64 28.161 1.541 89.090 1.00 0.00 ATOM 480 O ARG A 64 22.856 3.886 83.161 1.00 0.00 ATOM 481 C ARG A 64 23.733 4.617 83.639 1.00 0.00 ATOM 482 N ASN A 65 23.458 5.829 84.111 1.00 0.00 ATOM 483 CA ASN A 65 22.085 6.309 84.106 1.00 0.00 ATOM 484 CB ASN A 65 21.970 7.611 84.902 1.00 0.00 ATOM 485 CG ASN A 65 22.086 7.390 86.398 1.00 0.00 ATOM 486 ND2 ASN A 65 22.428 8.446 87.126 1.00 0.00 ATOM 487 OD1 ASN A 65 21.870 6.283 86.891 1.00 0.00 ATOM 488 O ASN A 65 20.479 6.211 82.338 1.00 0.00 ATOM 489 C ASN A 65 21.602 6.575 82.687 1.00 0.00 ATOM 490 N LEU A 66 22.457 7.175 81.863 1.00 0.00 ATOM 491 CA LEU A 66 22.091 7.446 80.472 1.00 0.00 ATOM 492 CB LEU A 66 23.214 8.201 79.761 1.00 0.00 ATOM 493 CG LEU A 66 23.452 9.644 80.210 1.00 0.00 ATOM 494 CD1 LEU A 66 24.704 10.211 79.557 1.00 0.00 ATOM 495 CD2 LEU A 66 22.275 10.527 79.827 1.00 0.00 ATOM 496 O LEU A 66 20.909 6.069 78.914 1.00 0.00 ATOM 497 C LEU A 66 21.822 6.148 79.750 1.00 0.00 ATOM 498 N SER A 67 22.594 5.096 79.989 1.00 0.00 ATOM 499 CA SER A 67 22.413 3.812 79.313 1.00 0.00 ATOM 500 CB SER A 67 23.452 2.787 79.776 1.00 0.00 ATOM 501 OG SER A 67 23.277 2.465 81.144 1.00 0.00 ATOM 502 O SER A 67 20.460 2.536 78.742 1.00 0.00 ATOM 503 C SER A 67 21.029 3.228 79.593 1.00 0.00 ATOM 504 N GLU A 68 20.481 3.514 80.772 1.00 0.00 ATOM 505 CA GLU A 68 19.148 3.020 81.139 1.00 0.00 ATOM 506 CB GLU A 68 19.044 2.836 82.655 1.00 0.00 ATOM 507 CG GLU A 68 19.966 1.766 83.216 1.00 0.00 ATOM 508 CD GLU A 68 19.874 1.651 84.724 1.00 0.00 ATOM 509 OE1 GLU A 68 19.075 2.396 85.330 1.00 0.00 ATOM 510 OE2 GLU A 68 20.602 0.816 85.302 1.00 0.00 ATOM 511 O GLU A 68 17.072 3.528 80.112 1.00 0.00 ATOM 512 C GLU A 68 18.096 3.991 80.607 1.00 0.00 ATOM 513 N THR A 69 18.285 5.388 80.688 1.00 0.00 ATOM 514 CA THR A 69 17.359 6.385 80.134 1.00 0.00 ATOM 515 CB THR A 69 16.580 6.944 81.338 1.00 0.00 ATOM 516 CG2 THR A 69 15.570 7.986 80.883 1.00 0.00 ATOM 517 OG1 THR A 69 15.882 5.879 81.997 1.00 0.00 ATOM 518 O THR A 69 18.917 8.207 80.175 1.00 0.00 ATOM 519 C THR A 69 18.208 7.475 79.488 1.00 0.00 ATOM 520 N GLY A 70 18.137 7.599 78.151 1.00 0.00 ATOM 521 CA GLY A 70 18.906 8.588 77.397 1.00 0.00 ATOM 522 O GLY A 70 19.140 10.935 77.030 1.00 0.00 ATOM 523 C GLY A 70 18.437 10.040 77.493 1.00 0.00 ATOM 524 N ARG A 71 17.269 10.265 78.094 1.00 0.00 ATOM 525 CA ARG A 71 16.716 11.615 78.239 1.00 0.00 ATOM 526 CB ARG A 71 15.245 11.555 78.679 1.00 0.00 ATOM 527 CG ARG A 71 14.286 11.207 77.549 1.00 0.00 ATOM 528 CD ARG A 71 12.886 10.902 78.065 1.00 0.00 ATOM 529 NE ARG A 71 12.837 9.619 78.763 1.00 0.00 ATOM 530 CZ ARG A 71 11.745 9.114 79.328 1.00 0.00 ATOM 531 NH1 ARG A 71 10.602 9.784 79.280 1.00 0.00 ATOM 532 NH2 ARG A 71 11.795 7.937 79.941 1.00 0.00 ATOM 533 O ARG A 71 17.551 12.087 80.446 1.00 0.00 ATOM 534 C ARG A 71 17.475 12.448 79.264 1.00 0.00 ATOM 535 N VAL A 72 18.000 13.587 78.824 1.00 0.00 ATOM 536 CA VAL A 72 18.743 14.448 79.737 1.00 0.00 ATOM 537 CB VAL A 72 20.260 14.367 79.481 1.00 0.00 ATOM 538 CG1 VAL A 72 20.766 12.952 79.723 1.00 0.00 ATOM 539 CG2 VAL A 72 20.578 14.752 78.045 1.00 0.00 ATOM 540 O VAL A 72 17.705 16.323 78.637 1.00 0.00 ATOM 541 C VAL A 72 18.353 15.910 79.606 1.00 0.00 ATOM 542 N ARG A 73 18.740 16.692 80.605 1.00 0.00 ATOM 543 CA ARG A 73 18.491 18.125 80.603 1.00 0.00 ATOM 544 CB ARG A 73 17.452 18.490 81.665 1.00 0.00 ATOM 545 CG ARG A 73 16.064 17.935 81.391 1.00 0.00 ATOM 546 CD ARG A 73 15.084 18.339 82.481 1.00 0.00 ATOM 547 NE ARG A 73 13.756 17.773 82.259 1.00 0.00 ATOM 548 CZ ARG A 73 12.738 17.904 83.102 1.00 0.00 ATOM 549 NH1 ARG A 73 11.565 17.354 82.817 1.00 0.00 ATOM 550 NH2 ARG A 73 12.894 18.583 84.231 1.00 0.00 ATOM 551 O ARG A 73 20.521 18.346 81.816 1.00 0.00 ATOM 552 C ARG A 73 19.793 18.789 80.921 1.00 0.00 ATOM 553 N LEU A 74 20.129 19.823 80.296 1.00 0.00 ATOM 554 CA LEU A 74 21.308 20.643 80.554 1.00 0.00 ATOM 555 CB LEU A 74 22.125 20.680 79.262 1.00 0.00 ATOM 556 CG LEU A 74 22.580 19.329 78.708 1.00 0.00 ATOM 557 CD1 LEU A 74 23.264 19.503 77.360 1.00 0.00 ATOM 558 CD2 LEU A 74 23.565 18.662 79.657 1.00 0.00 ATOM 559 O LEU A 74 20.019 22.626 80.354 1.00 0.00 ATOM 560 C LEU A 74 20.908 22.054 80.962 1.00 0.00 ATOM 561 N GLY A 75 21.558 22.615 81.977 1.00 0.00 ATOM 562 CA GLY A 75 21.231 23.976 82.390 1.00 0.00 ATOM 563 O GLY A 75 23.429 24.344 83.283 1.00 0.00 ATOM 564 C GLY A 75 22.493 24.791 82.608 1.00 0.00 ATOM 565 N ILE A 76 22.522 25.968 81.990 1.00 0.00 ATOM 566 CA ILE A 76 23.651 26.873 82.129 1.00 0.00 ATOM 567 CB ILE A 76 24.279 27.207 80.763 1.00 0.00 ATOM 568 CG1 ILE A 76 24.784 25.934 80.083 1.00 0.00 ATOM 569 CG2 ILE A 76 25.451 28.161 80.934 1.00 0.00 ATOM 570 CD1 ILE A 76 25.235 26.143 78.653 1.00 0.00 ATOM 571 O ILE A 76 22.218 28.795 82.230 1.00 0.00 ATOM 572 C ILE A 76 23.096 28.137 82.787 1.00 0.00 ATOM 573 N GLY A 77 23.596 28.450 83.980 1.00 0.00 ATOM 574 CA GLY A 77 23.126 29.624 84.691 1.00 0.00 ATOM 575 O GLY A 77 24.865 30.991 85.579 1.00 0.00 ATOM 576 C GLY A 77 24.061 30.817 84.665 1.00 0.00 ATOM 577 N PRO A 78 23.995 31.615 83.529 1.00 0.00 ATOM 578 CA PRO A 78 24.872 32.785 83.442 1.00 0.00 ATOM 579 CB PRO A 78 24.661 33.289 82.009 1.00 0.00 ATOM 580 CG PRO A 78 24.040 32.136 81.289 1.00 0.00 ATOM 581 CD PRO A 78 23.156 31.508 82.327 1.00 0.00 ATOM 582 O PRO A 78 23.429 33.375 85.300 1.00 0.00 ATOM 583 C PRO A 78 24.477 33.618 84.678 1.00 0.00 ATOM 584 N THR A 79 25.268 34.609 85.027 1.00 0.00 ATOM 585 CA THR A 79 24.932 35.448 86.189 1.00 0.00 ATOM 586 CB THR A 79 26.052 36.460 86.498 1.00 0.00 ATOM 587 CG2 THR A 79 25.669 37.333 87.683 1.00 0.00 ATOM 588 OG1 THR A 79 27.261 35.758 86.811 1.00 0.00 ATOM 589 O THR A 79 22.903 36.487 86.929 1.00 0.00 ATOM 590 C THR A 79 23.659 36.262 85.982 1.00 0.00 ATOM 591 N ARG A 80 23.414 36.666 84.738 1.00 0.00 ATOM 592 CA ARG A 80 22.219 37.464 84.421 1.00 0.00 ATOM 593 CB ARG A 80 23.169 38.682 83.422 1.00 0.00 ATOM 594 CG ARG A 80 23.203 37.995 82.062 1.00 0.00 ATOM 595 CD ARG A 80 23.918 38.835 81.027 1.00 0.00 ATOM 596 NE ARG A 80 23.042 39.777 80.340 1.00 0.00 ATOM 597 CZ ARG A 80 23.213 41.098 80.319 1.00 0.00 ATOM 598 NH1 ARG A 80 24.237 41.654 80.957 1.00 0.00 ATOM 599 NH2 ARG A 80 22.357 41.873 79.657 1.00 0.00 ATOM 600 O ARG A 80 19.930 37.249 83.726 1.00 0.00 ATOM 601 C ARG A 80 21.042 36.720 83.791 1.00 0.00 ATOM 602 N ASP A 81 21.195 35.228 83.171 1.00 0.00 ATOM 603 CA ASP A 81 20.134 34.404 82.602 1.00 0.00 ATOM 604 CB ASP A 81 19.957 34.749 81.109 1.00 0.00 ATOM 605 CG ASP A 81 21.094 34.331 80.235 1.00 0.00 ATOM 606 OD1 ASP A 81 22.034 33.709 80.633 1.00 0.00 ATOM 607 OD2 ASP A 81 21.072 34.773 79.053 1.00 0.00 ATOM 608 O ASP A 81 21.374 32.571 83.427 1.00 0.00 ATOM 609 C ASP A 81 20.373 32.933 82.848 1.00 0.00 ATOM 610 N LEU A 82 19.444 32.099 82.378 1.00 0.00 ATOM 611 CA LEU A 82 19.543 30.667 82.350 1.00 0.00 ATOM 612 CB LEU A 82 18.506 30.172 83.361 1.00 0.00 ATOM 613 CG LEU A 82 18.739 30.573 84.820 1.00 0.00 ATOM 614 CD1 LEU A 82 17.525 30.233 85.671 1.00 0.00 ATOM 615 CD2 LEU A 82 19.941 29.838 85.393 1.00 0.00 ATOM 616 O LEU A 82 18.331 30.671 80.324 1.00 0.00 ATOM 617 C LEU A 82 19.221 30.101 80.980 1.00 0.00 ATOM 618 N VAL A 83 19.895 29.094 80.586 1.00 0.00 ATOM 619 CA VAL A 83 19.561 28.420 79.311 1.00 0.00 ATOM 620 CB VAL A 83 20.641 28.603 78.273 1.00 0.00 ATOM 621 CG1 VAL A 83 20.209 27.888 77.016 1.00 0.00 ATOM 622 CG2 VAL A 83 20.840 30.073 78.005 1.00 0.00 ATOM 623 O VAL A 83 20.372 26.323 80.161 1.00 0.00 ATOM 624 C VAL A 83 19.441 26.933 79.618 1.00 0.00 ATOM 625 N LEU A 84 18.284 26.345 79.311 1.00 0.00 ATOM 626 CA LEU A 84 18.041 24.931 79.560 1.00 0.00 ATOM 627 CB LEU A 84 16.806 24.787 80.452 1.00 0.00 ATOM 628 CG LEU A 84 16.896 25.421 81.841 1.00 0.00 ATOM 629 CD1 LEU A 84 15.549 25.361 82.548 1.00 0.00 ATOM 630 CD2 LEU A 84 17.916 24.690 82.700 1.00 0.00 ATOM 631 O LEU A 84 17.124 24.705 77.363 1.00 0.00 ATOM 632 C LEU A 84 17.814 24.202 78.252 1.00 0.00 ATOM 633 N VAL A 85 18.450 23.043 78.121 1.00 0.00 ATOM 634 CA VAL A 85 18.353 22.232 76.909 1.00 0.00 ATOM 635 CB VAL A 85 19.724 22.065 76.229 1.00 0.00 ATOM 636 CG1 VAL A 85 19.604 21.182 74.997 1.00 0.00 ATOM 637 CG2 VAL A 85 20.273 23.417 75.800 1.00 0.00 ATOM 638 O VAL A 85 18.269 20.239 78.247 1.00 0.00 ATOM 639 C VAL A 85 17.820 20.847 77.271 1.00 0.00 ATOM 640 N GLU A 86 16.854 20.367 76.495 1.00 0.00 ATOM 641 CA GLU A 86 16.262 19.044 76.694 1.00 0.00 ATOM 642 CB GLU A 86 14.747 19.158 76.883 1.00 0.00 ATOM 643 CG GLU A 86 14.049 17.826 77.102 1.00 0.00 ATOM 644 CD GLU A 86 12.557 17.979 77.321 1.00 0.00 ATOM 645 OE1 GLU A 86 12.060 19.123 77.240 1.00 0.00 ATOM 646 OE2 GLU A 86 11.885 16.958 77.573 1.00 0.00 ATOM 647 O GLU A 86 16.286 18.660 74.334 1.00 0.00 ATOM 648 C GLU A 86 16.560 18.214 75.451 1.00 0.00 ATOM 649 N GLY A 87 17.118 17.019 75.642 1.00 0.00 ATOM 650 CA GLY A 87 17.414 16.159 74.508 1.00 0.00 ATOM 651 O GLY A 87 17.607 14.374 76.100 1.00 0.00 ATOM 652 C GLY A 87 17.786 14.750 74.932 1.00 0.00 ATOM 653 N THR A 88 18.242 13.954 73.968 1.00 0.00 ATOM 654 CA THR A 88 18.659 12.572 74.209 1.00 0.00 ATOM 655 CB THR A 88 18.056 11.603 73.175 1.00 0.00 ATOM 656 CG2 THR A 88 18.519 10.181 73.446 1.00 0.00 ATOM 657 OG1 THR A 88 16.625 11.648 73.251 1.00 0.00 ATOM 658 O THR A 88 20.742 13.150 73.208 1.00 0.00 ATOM 659 C THR A 88 20.169 12.533 74.111 1.00 0.00 ATOM 660 N ALA A 89 20.818 11.815 75.026 1.00 0.00 ATOM 661 CA ALA A 89 22.273 11.683 75.002 1.00 0.00 ATOM 662 CB ALA A 89 22.817 11.557 76.418 1.00 0.00 ATOM 663 O ALA A 89 22.162 9.351 74.475 1.00 0.00 ATOM 664 C ALA A 89 22.669 10.444 74.216 1.00 0.00 ATOM 665 N LEU A 90 23.553 10.661 73.290 1.00 0.00 ATOM 666 CA LEU A 90 24.060 9.560 72.473 1.00 0.00 ATOM 667 CB LEU A 90 23.668 9.755 71.007 1.00 0.00 ATOM 668 CG LEU A 90 22.169 9.817 70.708 1.00 0.00 ATOM 669 CD1 LEU A 90 21.927 10.142 69.242 1.00 0.00 ATOM 670 CD2 LEU A 90 21.505 8.483 71.015 1.00 0.00 ATOM 671 O LEU A 90 26.244 10.525 72.612 1.00 0.00 ATOM 672 C LEU A 90 25.574 9.497 72.562 1.00 0.00 ATOM 673 N PRO A 91 26.139 8.298 72.606 1.00 0.00 ATOM 674 CA PRO A 91 27.595 8.190 72.682 1.00 0.00 ATOM 675 CB PRO A 91 27.822 6.700 72.942 1.00 0.00 ATOM 676 CG PRO A 91 26.614 6.048 72.336 1.00 0.00 ATOM 677 CD PRO A 91 25.501 6.977 72.732 1.00 0.00 ATOM 678 O PRO A 91 27.820 8.545 70.305 1.00 0.00 ATOM 679 C PRO A 91 28.328 8.687 71.429 1.00 0.00 ATOM 680 N LEU A 92 29.505 9.285 71.625 1.00 0.00 ATOM 681 CA LEU A 92 30.343 9.722 70.508 1.00 0.00 ATOM 682 CB LEU A 92 31.263 10.865 70.945 1.00 0.00 ATOM 683 CG LEU A 92 30.575 12.125 71.470 1.00 0.00 ATOM 684 CD1 LEU A 92 31.604 13.143 71.939 1.00 0.00 ATOM 685 CD2 LEU A 92 29.732 12.770 70.380 1.00 0.00 ATOM 686 O LEU A 92 31.408 7.596 70.880 1.00 0.00 ATOM 687 C LEU A 92 31.184 8.511 70.077 1.00 0.00 ATOM 688 N GLU A 93 31.664 8.521 68.829 1.00 0.00 ATOM 689 CA GLU A 93 32.494 7.430 68.302 1.00 0.00 ATOM 690 CB GLU A 93 32.514 7.469 66.772 1.00 0.00 ATOM 691 CG GLU A 93 31.163 7.205 66.126 1.00 0.00 ATOM 692 CD GLU A 93 31.238 7.166 64.613 1.00 0.00 ATOM 693 OE1 GLU A 93 32.321 7.460 64.064 1.00 0.00 ATOM 694 OE2 GLU A 93 30.214 6.841 63.976 1.00 0.00 ATOM 695 O GLU A 93 34.380 8.813 68.831 1.00 0.00 ATOM 696 C GLU A 93 33.947 7.672 68.691 1.00 0.00 ATOM 697 N PRO A 94 34.679 6.598 68.880 1.00 0.00 ATOM 698 CA PRO A 94 36.091 6.709 69.265 1.00 0.00 ATOM 699 CB PRO A 94 36.612 5.290 69.054 1.00 0.00 ATOM 700 CG PRO A 94 35.420 4.455 69.398 1.00 0.00 ATOM 701 CD PRO A 94 34.298 5.188 68.689 1.00 0.00 ATOM 702 O PRO A 94 37.766 8.375 68.956 1.00 0.00 ATOM 703 C PRO A 94 36.895 7.695 68.427 1.00 0.00 ATOM 704 N ALA A 95 36.587 7.807 67.138 1.00 0.00 ATOM 705 CA ALA A 95 37.306 8.759 66.287 1.00 0.00 ATOM 706 CB ALA A 95 36.738 8.744 64.875 1.00 0.00 ATOM 707 O ALA A 95 38.105 10.911 67.058 1.00 0.00 ATOM 708 C ALA A 95 37.141 10.164 66.896 1.00 0.00 ATOM 709 N GLY A 96 35.906 10.509 67.240 1.00 0.00 ATOM 710 CA GLY A 96 35.628 11.815 67.829 1.00 0.00 ATOM 711 O GLY A 96 36.920 12.984 69.475 1.00 0.00 ATOM 712 C GLY A 96 36.294 11.965 69.191 1.00 0.00 ATOM 713 N LEU A 97 36.145 10.953 70.040 1.00 0.00 ATOM 714 CA LEU A 97 36.737 10.992 71.369 1.00 0.00 ATOM 715 CB LEU A 97 36.710 9.328 71.695 1.00 0.00 ATOM 716 CG LEU A 97 36.628 8.591 73.022 1.00 0.00 ATOM 717 CD1 LEU A 97 35.199 8.566 73.520 1.00 0.00 ATOM 718 CD2 LEU A 97 37.138 7.174 72.805 1.00 0.00 ATOM 719 O LEU A 97 38.850 11.973 71.943 1.00 0.00 ATOM 720 C LEU A 97 38.262 11.113 71.281 1.00 0.00 ATOM 721 N PRO A 98 38.903 10.275 70.467 1.00 0.00 ATOM 722 CA PRO A 98 40.362 10.340 70.332 1.00 0.00 ATOM 723 CB PRO A 98 40.711 9.205 69.421 1.00 0.00 ATOM 724 CG PRO A 98 39.722 8.166 69.819 1.00 0.00 ATOM 725 CD PRO A 98 38.432 8.959 69.923 1.00 0.00 ATOM 726 O PRO A 98 41.838 12.246 70.338 1.00 0.00 ATOM 727 C PRO A 98 40.839 11.716 69.847 1.00 0.00 ATOM 728 N ASP A 99 40.081 12.303 68.899 1.00 0.00 ATOM 729 CA ASP A 99 40.451 13.611 68.368 1.00 0.00 ATOM 730 CB ASP A 99 39.441 14.019 67.292 1.00 0.00 ATOM 731 CG ASP A 99 39.633 13.261 65.996 1.00 0.00 ATOM 732 OD1 ASP A 99 40.677 12.591 65.847 1.00 0.00 ATOM 733 OD2 ASP A 99 38.740 13.335 65.125 1.00 0.00 ATOM 734 O ASP A 99 41.385 15.430 69.618 1.00 0.00 ATOM 735 C ASP A 99 40.421 14.681 69.455 1.00 0.00 ATOM 736 N GLY A 100 39.324 14.761 70.203 1.00 0.00 ATOM 737 CA GLY A 100 39.240 15.754 71.261 1.00 0.00 ATOM 738 O GLY A 100 40.933 16.393 72.832 1.00 0.00 ATOM 739 C GLY A 100 40.252 15.478 72.367 1.00 0.00 ATOM 740 N VAL A 101 40.346 14.215 72.785 1.00 0.00 ATOM 741 CA VAL A 101 41.265 13.835 73.849 1.00 0.00 ATOM 742 CB VAL A 101 40.981 12.381 74.297 1.00 0.00 ATOM 743 CG1 VAL A 101 39.551 12.266 74.826 1.00 0.00 ATOM 744 CG2 VAL A 101 41.196 11.314 73.220 1.00 0.00 ATOM 745 O VAL A 101 43.545 14.456 74.293 1.00 0.00 ATOM 746 C VAL A 101 42.721 14.072 73.461 1.00 0.00 ATOM 747 N GLY A 102 43.060 13.821 72.178 1.00 0.00 ATOM 748 CA GLY A 102 44.413 14.034 71.697 1.00 0.00 ATOM 749 O GLY A 102 45.832 15.927 72.281 1.00 0.00 ATOM 750 C GLY A 102 44.764 15.519 71.830 1.00 0.00 ATOM 751 N ASP A 103 43.831 16.384 71.445 1.00 0.00 ATOM 752 CA ASP A 103 44.046 17.816 71.558 1.00 0.00 ATOM 753 CB ASP A 103 42.910 18.577 70.870 1.00 0.00 ATOM 754 CG ASP A 103 42.958 18.456 69.361 1.00 0.00 ATOM 755 OD1 ASP A 103 43.995 17.998 68.834 1.00 0.00 ATOM 756 OD2 ASP A 103 41.962 18.820 68.702 1.00 0.00 ATOM 757 O ASP A 103 45.021 19.102 73.320 1.00 0.00 ATOM 758 C ASP A 103 44.181 18.269 73.006 1.00 0.00 ATOM 759 N THR A 104 43.379 17.729 73.921 1.00 0.00 ATOM 760 CA THR A 104 43.440 18.107 75.332 1.00 0.00 ATOM 761 CB THR A 104 42.369 17.399 76.183 1.00 0.00 ATOM 762 CG2 THR A 104 42.554 17.731 77.656 1.00 0.00 ATOM 763 OG1 THR A 104 41.066 17.829 75.770 1.00 0.00 ATOM 764 O THR A 104 45.432 18.448 76.631 1.00 0.00 ATOM 765 C THR A 104 44.801 17.696 75.885 1.00 0.00 ATOM 766 N PHE A 105 45.243 16.484 75.572 1.00 0.00 ATOM 767 CA PHE A 105 46.522 16.022 76.143 1.00 0.00 ATOM 768 CB PHE A 105 46.505 14.423 76.219 1.00 0.00 ATOM 769 CG PHE A 105 45.831 13.847 77.446 1.00 0.00 ATOM 770 CD1 PHE A 105 44.450 13.945 77.618 1.00 0.00 ATOM 771 CD2 PHE A 105 46.584 13.267 78.466 1.00 0.00 ATOM 772 CE1 PHE A 105 43.831 13.429 78.760 1.00 0.00 ATOM 773 CE2 PHE A 105 45.962 12.757 79.616 1.00 0.00 ATOM 774 CZ PHE A 105 44.592 12.849 79.764 1.00 0.00 ATOM 775 O PHE A 105 48.775 16.762 76.151 1.00 0.00 ATOM 776 C PHE A 105 47.738 16.651 75.484 1.00 0.00 ATOM 777 N ALA A 106 47.640 17.137 74.210 1.00 0.00 ATOM 778 CA ALA A 106 48.728 17.939 73.658 1.00 0.00 ATOM 779 CB ALA A 106 48.494 18.201 72.178 1.00 0.00 ATOM 780 O ALA A 106 49.922 19.728 74.708 1.00 0.00 ATOM 781 C ALA A 106 48.838 19.246 74.424 1.00 0.00 ATOM 782 N GLU A 107 47.671 19.709 74.713 1.00 0.00 ATOM 783 CA GLU A 107 47.622 20.960 75.450 1.00 0.00 ATOM 784 CB GLU A 107 46.181 21.454 75.597 1.00 0.00 ATOM 785 CG GLU A 107 45.573 21.985 74.308 1.00 0.00 ATOM 786 CD GLU A 107 44.110 22.350 74.462 1.00 0.00 ATOM 787 OE1 GLU A 107 43.552 22.121 75.555 1.00 0.00 ATOM 788 OE2 GLU A 107 43.521 22.866 73.487 1.00 0.00 ATOM 789 O GLU A 107 48.928 21.593 77.372 1.00 0.00 ATOM 790 C GLU A 107 48.198 20.749 76.854 1.00 0.00 ATOM 791 N LYS A 108 47.900 19.602 77.450 1.00 0.00 ATOM 792 CA LYS A 108 48.348 19.304 78.808 1.00 0.00 ATOM 793 CB LYS A 108 47.506 18.179 79.412 1.00 0.00 ATOM 794 CG LYS A 108 46.063 18.561 79.689 1.00 0.00 ATOM 795 CD LYS A 108 45.303 17.419 80.342 1.00 0.00 ATOM 796 CE LYS A 108 43.853 17.796 80.600 1.00 0.00 ATOM 797 NZ LYS A 108 43.091 16.680 81.226 1.00 0.00 ATOM 798 O LYS A 108 50.506 19.366 79.852 1.00 0.00 ATOM 799 C LYS A 108 49.797 18.865 78.974 1.00 0.00 ATOM 800 N THR A 109 50.236 17.941 78.128 1.00 0.00 ATOM 801 CA THR A 109 51.576 17.379 78.235 1.00 0.00 ATOM 802 CB THR A 109 51.532 15.840 78.279 1.00 0.00 ATOM 803 CG2 THR A 109 50.703 15.366 79.463 1.00 0.00 ATOM 804 OG1 THR A 109 50.943 15.342 77.071 1.00 0.00 ATOM 805 O THR A 109 53.757 17.685 77.307 1.00 0.00 ATOM 806 C THR A 109 52.538 17.797 77.138 1.00 0.00 ATOM 807 N GLY A 110 52.035 18.233 75.979 1.00 0.00 ATOM 808 CA GLY A 110 52.931 18.570 74.901 1.00 0.00 ATOM 809 O GLY A 110 54.416 17.347 73.474 1.00 0.00 ATOM 810 C GLY A 110 53.370 17.341 74.127 1.00 0.00 ATOM 811 N PHE A 111 52.604 16.277 74.196 1.00 0.00 ATOM 812 CA PHE A 111 52.865 15.007 73.495 1.00 0.00 ATOM 813 CB PHE A 111 53.894 14.120 74.209 1.00 0.00 ATOM 814 CG PHE A 111 53.564 13.719 75.617 1.00 0.00 ATOM 815 CD1 PHE A 111 52.772 12.632 75.914 1.00 0.00 ATOM 816 CD2 PHE A 111 54.024 14.518 76.686 1.00 0.00 ATOM 817 CE1 PHE A 111 52.397 12.280 77.201 1.00 0.00 ATOM 818 CE2 PHE A 111 53.664 14.188 77.975 1.00 0.00 ATOM 819 CZ PHE A 111 52.889 13.077 78.253 1.00 0.00 ATOM 820 O PHE A 111 50.535 14.651 74.173 1.00 0.00 ATOM 821 C PHE A 111 51.507 14.249 73.478 1.00 0.00 ATOM 822 N ASP A 112 51.441 13.199 72.674 1.00 0.00 ATOM 823 CA ASP A 112 50.258 12.353 72.606 1.00 0.00 ATOM 824 CB ASP A 112 50.157 11.677 71.237 1.00 0.00 ATOM 825 CG ASP A 112 48.920 10.811 71.105 1.00 0.00 ATOM 826 OD1 ASP A 112 48.203 10.641 72.112 1.00 0.00 ATOM 827 OD2 ASP A 112 48.669 10.301 69.993 1.00 0.00 ATOM 828 O ASP A 112 51.334 10.479 73.610 1.00 0.00 ATOM 829 C ASP A 112 50.462 11.328 73.716 1.00 0.00 ATOM 830 N PRO A 113 49.676 11.380 74.779 1.00 0.00 ATOM 831 CA PRO A 113 49.939 10.484 75.913 1.00 0.00 ATOM 832 CB PRO A 113 49.088 11.087 77.041 1.00 0.00 ATOM 833 CG PRO A 113 47.932 11.704 76.337 1.00 0.00 ATOM 834 CD PRO A 113 48.528 12.259 75.035 1.00 0.00 ATOM 835 O PRO A 113 49.760 8.190 76.516 1.00 0.00 ATOM 836 C PRO A 113 49.551 9.026 75.640 1.00 0.00 ATOM 837 N ARG A 114 48.937 8.734 74.514 1.00 0.00 ATOM 838 CA ARG A 114 48.591 7.381 74.097 1.00 0.00 ATOM 839 CB ARG A 114 49.833 6.678 73.530 1.00 0.00 ATOM 840 CG ARG A 114 50.358 7.249 72.224 1.00 0.00 ATOM 841 CD ARG A 114 51.769 6.799 71.918 1.00 0.00 ATOM 842 NE ARG A 114 52.663 7.163 73.017 1.00 0.00 ATOM 843 CZ ARG A 114 53.961 6.896 73.056 1.00 0.00 ATOM 844 NH1 ARG A 114 54.561 6.283 72.046 1.00 0.00 ATOM 845 NH2 ARG A 114 54.667 7.269 74.117 1.00 0.00 ATOM 846 O ARG A 114 47.517 5.447 74.968 1.00 0.00 ATOM 847 C ARG A 114 47.700 6.647 75.080 1.00 0.00 ATOM 848 N ARG A 115 47.118 7.374 76.025 1.00 0.00 ATOM 849 CA ARG A 115 46.239 6.742 76.994 1.00 0.00 ATOM 850 CB ARG A 115 47.014 6.376 78.262 1.00 0.00 ATOM 851 CG ARG A 115 48.051 5.283 78.061 1.00 0.00 ATOM 852 CD ARG A 115 48.779 4.969 79.358 1.00 0.00 ATOM 853 NE ARG A 115 49.806 3.946 79.176 1.00 0.00 ATOM 854 CZ ARG A 115 50.627 3.531 80.135 1.00 0.00 ATOM 855 NH1 ARG A 115 51.530 2.597 79.877 1.00 0.00 ATOM 856 NH2 ARG A 115 50.542 4.054 81.351 1.00 0.00 ATOM 857 O ARG A 115 44.835 7.830 78.605 1.00 0.00 ATOM 858 C ARG A 115 45.084 7.628 77.418 1.00 0.00 ATOM 859 N LEU A 116 44.367 8.177 76.440 1.00 0.00 ATOM 860 CA LEU A 116 43.204 9.005 76.765 1.00 0.00 ATOM 861 CB LEU A 116 42.534 9.397 75.412 1.00 0.00 ATOM 862 CG LEU A 116 43.501 10.198 74.509 1.00 0.00 ATOM 863 CD1 LEU A 116 42.701 10.731 73.334 1.00 0.00 ATOM 864 CD2 LEU A 116 44.107 11.340 75.348 1.00 0.00 ATOM 865 O LEU A 116 42.070 6.937 77.245 1.00 0.00 ATOM 866 C LEU A 116 42.190 8.132 77.519 1.00 0.00 ATOM 867 N THR A 117 42.173 6.236 77.391 1.00 0.00 ATOM 868 CA THR A 117 41.699 5.155 78.260 1.00 0.00 ATOM 869 CB THR A 117 41.309 5.678 79.659 1.00 0.00 ATOM 870 CG2 THR A 117 40.732 4.555 80.519 1.00 0.00 ATOM 871 OG1 THR A 117 42.480 6.193 80.300 1.00 0.00 ATOM 872 O THR A 117 39.564 5.295 77.177 1.00 0.00 ATOM 873 C THR A 117 40.438 4.557 77.641 1.00 0.00 ATOM 874 N THR A 118 40.319 3.254 77.600 1.00 0.00 ATOM 875 CA THR A 118 39.152 2.613 77.009 1.00 0.00 ATOM 876 CB THR A 118 39.233 1.077 77.070 1.00 0.00 ATOM 877 CG2 THR A 118 40.492 0.580 76.379 1.00 0.00 ATOM 878 OG1 THR A 118 39.257 0.650 78.439 1.00 0.00 ATOM 879 O THR A 118 36.772 2.994 77.125 1.00 0.00 ATOM 880 C THR A 118 37.858 3.054 77.708 1.00 0.00 ATOM 881 N SER A 119 37.978 3.505 78.955 1.00 0.00 ATOM 882 CA SER A 119 36.809 3.931 79.713 1.00 0.00 ATOM 883 CB SER A 119 36.992 3.619 81.200 1.00 0.00 ATOM 884 OG SER A 119 38.077 4.350 81.744 1.00 0.00 ATOM 885 O SER A 119 35.714 5.944 80.399 1.00 0.00 ATOM 886 C SER A 119 36.509 5.426 79.618 1.00 0.00 ATOM 887 N TYR A 120 37.148 6.121 78.679 1.00 0.00 ATOM 888 CA TYR A 120 36.894 7.550 78.513 1.00 0.00 ATOM 889 CB TYR A 120 38.208 8.312 78.341 1.00 0.00 ATOM 890 CG TYR A 120 38.033 9.802 78.150 1.00 0.00 ATOM 891 CD1 TYR A 120 37.739 10.627 79.228 1.00 0.00 ATOM 892 CD2 TYR A 120 38.162 10.378 76.892 1.00 0.00 ATOM 893 CE1 TYR A 120 37.577 11.990 79.062 1.00 0.00 ATOM 894 CE2 TYR A 120 38.003 11.738 76.709 1.00 0.00 ATOM 895 CZ TYR A 120 37.708 12.544 77.808 1.00 0.00 ATOM 896 OH TYR A 120 37.548 13.901 77.642 1.00 0.00 ATOM 897 O TYR A 120 36.544 7.346 76.172 1.00 0.00 ATOM 898 C TYR A 120 36.077 7.760 77.254 1.00 0.00 ATOM 899 N LEU A 121 34.936 8.431 77.406 1.00 0.00 ATOM 900 CA LEU A 121 34.107 8.698 76.231 1.00 0.00 ATOM 901 CB LEU A 121 33.050 7.592 76.172 1.00 0.00 ATOM 902 CG LEU A 121 33.574 6.163 76.020 1.00 0.00 ATOM 903 CD1 LEU A 121 32.448 5.156 76.206 1.00 0.00 ATOM 904 CD2 LEU A 121 34.175 5.954 74.638 1.00 0.00 ATOM 905 O LEU A 121 33.695 10.851 77.245 1.00 0.00 ATOM 906 C LEU A 121 33.413 10.051 76.352 1.00 0.00 ATOM 907 N TYR A 122 32.427 10.177 75.342 1.00 0.00 ATOM 908 CA TYR A 122 31.597 11.371 75.362 1.00 0.00 ATOM 909 CB TYR A 122 31.934 12.299 74.195 1.00 0.00 ATOM 910 CG TYR A 122 33.333 12.871 74.274 1.00 0.00 ATOM 911 CD1 TYR A 122 34.426 12.135 73.836 1.00 0.00 ATOM 912 CD2 TYR A 122 33.560 14.130 74.821 1.00 0.00 ATOM 913 CE1 TYR A 122 35.726 12.634 73.937 1.00 0.00 ATOM 914 CE2 TYR A 122 34.857 14.647 74.935 1.00 0.00 ATOM 915 CZ TYR A 122 35.933 13.893 74.491 1.00 0.00 ATOM 916 OH TYR A 122 37.216 14.386 74.590 1.00 0.00 ATOM 917 O TYR A 122 29.788 10.111 74.378 1.00 0.00 ATOM 918 C TYR A 122 30.162 11.162 74.929 1.00 0.00 ATOM 919 N PHE A 123 29.347 12.174 75.193 1.00 0.00 ATOM 920 CA PHE A 123 27.946 12.120 74.827 1.00 0.00 ATOM 921 CB PHE A 123 27.073 11.954 76.072 1.00 0.00 ATOM 922 CG PHE A 123 27.328 10.681 76.826 1.00 0.00 ATOM 923 CD1 PHE A 123 28.235 10.647 77.871 1.00 0.00 ATOM 924 CD2 PHE A 123 26.662 9.515 76.491 1.00 0.00 ATOM 925 CE1 PHE A 123 28.470 9.475 78.565 1.00 0.00 ATOM 926 CE2 PHE A 123 26.896 8.343 77.184 1.00 0.00 ATOM 927 CZ PHE A 123 27.796 8.320 78.218 1.00 0.00 ATOM 928 O PHE A 123 28.044 14.467 74.457 1.00 0.00 ATOM 929 C PHE A 123 27.551 13.399 74.122 1.00 0.00 ATOM 930 N ARG A 124 26.656 13.264 73.147 1.00 0.00 ATOM 931 CA ARG A 124 26.110 14.408 72.433 1.00 0.00 ATOM 932 CB ARG A 124 26.521 14.378 70.948 1.00 0.00 ATOM 933 CG ARG A 124 26.016 13.145 70.181 1.00 0.00 ATOM 934 CD ARG A 124 26.632 13.033 68.781 1.00 0.00 ATOM 935 NE ARG A 124 26.392 11.708 68.218 1.00 0.00 ATOM 936 CZ ARG A 124 25.306 11.383 67.541 1.00 0.00 ATOM 937 NH1 ARG A 124 24.366 12.291 67.323 1.00 0.00 ATOM 938 NH2 ARG A 124 25.155 10.128 67.129 1.00 0.00 ATOM 939 O ARG A 124 23.922 13.435 72.693 1.00 0.00 ATOM 940 C ARG A 124 24.635 14.441 72.839 1.00 0.00 ATOM 941 N ILE A 125 24.182 15.571 73.371 1.00 0.00 ATOM 942 CA ILE A 125 22.775 15.709 73.749 1.00 0.00 ATOM 943 CB ILE A 125 22.612 16.429 75.129 1.00 0.00 ATOM 944 CG1 ILE A 125 23.434 15.735 76.217 1.00 0.00 ATOM 945 CG2 ILE A 125 21.149 16.500 75.536 1.00 0.00 ATOM 946 CD1 ILE A 125 23.499 16.506 77.526 1.00 0.00 ATOM 947 O ILE A 125 22.345 17.580 72.298 1.00 0.00 ATOM 948 C ILE A 125 22.013 16.442 72.638 1.00 0.00 ATOM 949 N SER A 126 20.988 15.796 72.089 1.00 0.00 ATOM 950 CA SER A 126 20.214 16.392 71.007 1.00 0.00 ATOM 951 CB SER A 126 19.362 15.289 70.352 1.00 0.00 ATOM 952 OG SER A 126 18.301 14.948 71.241 1.00 0.00 ATOM 953 O SER A 126 19.157 17.723 72.701 1.00 0.00 ATOM 954 C SER A 126 19.427 17.592 71.500 1.00 0.00 ATOM 955 N PRO A 127 19.074 18.476 70.567 1.00 0.00 ATOM 956 CA PRO A 127 18.336 19.687 70.899 1.00 0.00 ATOM 957 CB PRO A 127 18.957 20.752 69.992 1.00 0.00 ATOM 958 CG PRO A 127 19.423 19.996 68.794 1.00 0.00 ATOM 959 CD PRO A 127 19.849 18.643 69.294 1.00 0.00 ATOM 960 O PRO A 127 16.346 19.993 69.593 1.00 0.00 ATOM 961 C PRO A 127 16.839 19.564 70.641 1.00 0.00 ATOM 962 N ARG A 128 15.999 19.009 71.601 1.00 0.00 ATOM 963 CA ARG A 128 14.556 18.883 71.448 1.00 0.00 ATOM 964 CB ARG A 128 14.029 17.713 72.281 1.00 0.00 ATOM 965 CG ARG A 128 12.540 17.453 72.114 1.00 0.00 ATOM 966 CD ARG A 128 12.108 16.210 72.875 1.00 0.00 ATOM 967 NE ARG A 128 10.670 15.977 72.771 1.00 0.00 ATOM 968 CZ ARG A 128 10.021 15.013 73.417 1.00 0.00 ATOM 969 NH1 ARG A 128 8.711 14.878 73.262 1.00 0.00 ATOM 970 NH2 ARG A 128 10.683 14.188 74.217 1.00 0.00 ATOM 971 O ARG A 128 12.887 20.599 71.272 1.00 0.00 ATOM 972 C ARG A 128 13.873 20.175 71.874 1.00 0.00 ATOM 973 N ARG A 129 14.404 20.778 72.946 1.00 0.00 ATOM 974 CA ARG A 129 13.847 22.011 73.478 1.00 0.00 ATOM 975 CB ARG A 129 12.841 21.722 74.594 1.00 0.00 ATOM 976 CG ARG A 129 11.549 21.082 74.114 1.00 0.00 ATOM 977 CD ARG A 129 10.676 20.657 75.283 1.00 0.00 ATOM 978 NE ARG A 129 10.217 21.799 76.069 1.00 0.00 ATOM 979 CZ ARG A 129 9.491 21.701 77.178 1.00 0.00 ATOM 980 NH1 ARG A 129 9.119 22.796 77.826 1.00 0.00 ATOM 981 NH2 ARG A 129 9.141 20.508 77.637 1.00 0.00 ATOM 982 O ARG A 129 15.919 22.313 74.662 1.00 0.00 ATOM 983 C ARG A 129 14.993 22.840 74.026 1.00 0.00 ATOM 984 N VAL A 130 14.927 24.141 73.790 1.00 0.00 ATOM 985 CA VAL A 130 15.926 25.041 74.340 1.00 0.00 ATOM 986 CB VAL A 130 16.898 25.536 73.252 1.00 0.00 ATOM 987 CG1 VAL A 130 17.916 26.498 73.846 1.00 0.00 ATOM 988 CG2 VAL A 130 17.645 24.365 72.633 1.00 0.00 ATOM 989 O VAL A 130 14.385 26.868 74.213 1.00 0.00 ATOM 990 C VAL A 130 15.139 26.199 74.922 1.00 0.00 ATOM 991 N GLN A 131 15.304 26.419 76.219 1.00 0.00 ATOM 992 CA GLN A 131 14.591 27.475 76.917 1.00 0.00 ATOM 993 CB GLN A 131 13.814 26.903 78.105 1.00 0.00 ATOM 994 CG GLN A 131 12.991 27.931 78.860 1.00 0.00 ATOM 995 CD GLN A 131 12.163 27.314 79.970 1.00 0.00 ATOM 996 OE1 GLN A 131 12.281 26.122 80.257 1.00 0.00 ATOM 997 NE2 GLN A 131 11.321 28.124 80.600 1.00 0.00 ATOM 998 O GLN A 131 16.577 28.231 78.054 1.00 0.00 ATOM 999 C GLN A 131 15.541 28.538 77.451 1.00 0.00 ATOM 1000 N ALA A 132 15.179 29.795 77.211 1.00 0.00 ATOM 1001 CA ALA A 132 15.972 30.929 77.661 1.00 0.00 ATOM 1002 CB ALA A 132 16.266 31.862 76.498 1.00 0.00 ATOM 1003 O ALA A 132 14.048 32.098 78.494 1.00 0.00 ATOM 1004 C ALA A 132 15.236 31.807 78.671 1.00 0.00 ATOM 1005 N TRP A 133 15.861 32.062 79.930 1.00 0.00 ATOM 1006 CA TRP A 133 15.271 32.848 81.014 1.00 0.00 ATOM 1007 CB TRP A 133 15.160 32.018 82.295 1.00 0.00 ATOM 1008 CG TRP A 133 14.578 32.773 83.450 1.00 0.00 ATOM 1009 CD1 TRP A 133 13.254 32.958 83.725 1.00 0.00 ATOM 1010 CD2 TRP A 133 15.302 33.446 84.487 1.00 0.00 ATOM 1011 CE2 TRP A 133 14.350 34.016 85.357 1.00 0.00 ATOM 1012 CE3 TRP A 133 16.660 33.623 84.768 1.00 0.00 ATOM 1013 NE1 TRP A 133 13.105 33.703 84.869 1.00 0.00 ATOM 1014 CZ2 TRP A 133 14.714 34.750 86.486 1.00 0.00 ATOM 1015 CZ3 TRP A 133 17.016 34.350 85.887 1.00 0.00 ATOM 1016 CH2 TRP A 133 16.050 34.905 86.733 1.00 0.00 ATOM 1017 O TRP A 133 17.360 33.885 81.549 1.00 0.00 ATOM 1018 C TRP A 133 16.166 34.043 81.297 1.00 0.00 ATOM 1019 N ARG A 134 15.617 35.244 81.206 1.00 0.00 ATOM 1020 CA ARG A 134 16.375 36.457 81.467 1.00 0.00 ATOM 1021 CB ARG A 134 16.638 37.175 80.142 1.00 0.00 ATOM 1022 CG ARG A 134 17.482 38.433 80.275 1.00 0.00 ATOM 1023 CD ARG A 134 17.748 39.066 78.919 1.00 0.00 ATOM 1024 NE ARG A 134 18.533 40.293 79.032 1.00 0.00 ATOM 1025 CZ ARG A 134 18.979 40.992 77.994 1.00 0.00 ATOM 1026 NH1 ARG A 134 19.686 42.097 78.193 1.00 0.00 ATOM 1027 NH2 ARG A 134 18.715 40.587 76.759 1.00 0.00 ATOM 1028 O ARG A 134 14.516 37.862 82.055 1.00 0.00 ATOM 1029 C ARG A 134 15.635 37.442 82.365 1.00 0.00 ATOM 1030 N GLU A 135 16.267 37.839 83.440 1.00 0.00 ATOM 1031 CA GLU A 135 15.694 38.770 84.407 1.00 0.00 ATOM 1032 CB GLU A 135 16.540 38.794 85.683 1.00 0.00 ATOM 1033 CG GLU A 135 15.973 39.671 86.787 1.00 0.00 ATOM 1034 CD GLU A 135 16.835 39.668 88.033 1.00 0.00 ATOM 1035 OE1 GLU A 135 17.899 39.016 88.018 1.00 0.00 ATOM 1036 OE2 GLU A 135 16.445 40.317 89.027 1.00 0.00 ATOM 1037 O GLU A 135 16.570 40.700 83.253 1.00 0.00 ATOM 1038 C GLU A 135 15.612 40.205 83.867 1.00 0.00 ATOM 1039 N ALA A 136 14.356 40.810 84.101 1.00 0.00 ATOM 1040 CA ALA A 136 14.084 42.160 83.580 1.00 0.00 ATOM 1041 CB ALA A 136 13.418 42.078 82.217 1.00 0.00 ATOM 1042 O ALA A 136 11.903 42.792 84.435 1.00 0.00 ATOM 1043 C ALA A 136 13.131 42.876 84.544 1.00 0.00 ATOM 1044 N ASN A 137 13.746 43.607 85.527 1.00 0.00 ATOM 1045 CA ASN A 137 12.987 44.378 86.524 1.00 0.00 ATOM 1046 CB ASN A 137 12.541 45.726 85.952 1.00 0.00 ATOM 1047 CG ASN A 137 13.709 46.635 85.626 1.00 0.00 ATOM 1048 ND2 ASN A 137 13.515 47.516 84.651 1.00 0.00 ATOM 1049 OD1 ASN A 137 14.771 46.545 86.240 1.00 0.00 ATOM 1050 O ASN A 137 10.675 43.851 86.539 1.00 0.00 ATOM 1051 C ASN A 137 11.790 43.509 86.884 1.00 0.00 ATOM 1052 N GLU A 138 12.104 42.101 87.369 1.00 0.00 ATOM 1053 CA GLU A 138 11.055 41.267 87.960 1.00 0.00 ATOM 1054 CB GLU A 138 10.116 42.117 88.820 1.00 0.00 ATOM 1055 CG GLU A 138 10.742 42.621 90.111 1.00 0.00 ATOM 1056 CD GLU A 138 9.827 43.559 90.874 1.00 0.00 ATOM 1057 OE1 GLU A 138 8.734 43.873 90.359 1.00 0.00 ATOM 1058 OE2 GLU A 138 10.204 43.979 91.988 1.00 0.00 ATOM 1059 O GLU A 138 10.119 39.233 87.156 1.00 0.00 ATOM 1060 C GLU A 138 10.236 40.440 86.982 1.00 0.00 ATOM 1061 N LEU A 139 9.665 41.093 85.949 1.00 0.00 ATOM 1062 CA LEU A 139 8.837 40.381 84.979 1.00 0.00 ATOM 1063 CB LEU A 139 7.858 41.375 84.350 1.00 0.00 ATOM 1064 CG LEU A 139 6.925 42.109 85.315 1.00 0.00 ATOM 1065 CD1 LEU A 139 6.062 43.116 84.569 1.00 0.00 ATOM 1066 CD2 LEU A 139 6.005 41.128 86.025 1.00 0.00 ATOM 1067 O LEU A 139 10.083 40.428 82.929 1.00 0.00 ATOM 1068 C LEU A 139 9.812 39.814 83.956 1.00 0.00 ATOM 1069 N SER A 140 10.312 38.556 84.284 1.00 0.00 ATOM 1070 CA SER A 140 11.327 37.962 83.431 1.00 0.00 ATOM 1071 CB SER A 140 11.966 36.755 84.119 1.00 0.00 ATOM 1072 OG SER A 140 11.034 35.700 84.269 1.00 0.00 ATOM 1073 O SER A 140 9.752 37.004 81.916 1.00 0.00 ATOM 1074 C SER A 140 10.882 37.455 82.079 1.00 0.00 ATOM 1075 N GLY A 141 11.791 37.549 81.112 1.00 0.00 ATOM 1076 CA GLY A 141 11.526 37.109 79.749 1.00 0.00 ATOM 1077 O GLY A 141 13.111 35.303 79.883 1.00 0.00 ATOM 1078 C GLY A 141 11.972 35.650 79.591 1.00 0.00 ATOM 1079 N ARG A 142 11.063 34.807 79.121 1.00 0.00 ATOM 1080 CA ARG A 142 11.362 33.398 78.909 1.00 0.00 ATOM 1081 CB ARG A 142 11.101 32.545 80.181 1.00 0.00 ATOM 1082 CG ARG A 142 9.652 32.520 80.615 1.00 0.00 ATOM 1083 CD ARG A 142 9.446 31.423 81.699 1.00 0.00 ATOM 1084 NE ARG A 142 7.997 31.402 81.992 1.00 0.00 ATOM 1085 CZ ARG A 142 7.553 31.964 83.108 1.00 0.00 ATOM 1086 NH1 ARG A 142 8.445 32.476 83.947 1.00 0.00 ATOM 1087 NH2 ARG A 142 6.271 32.013 83.367 1.00 0.00 ATOM 1088 O ARG A 142 9.751 33.360 77.154 1.00 0.00 ATOM 1089 C ARG A 142 10.872 33.026 77.529 1.00 0.00 ATOM 1090 N GLU A 143 11.720 32.353 76.766 1.00 0.00 ATOM 1091 CA GLU A 143 11.334 31.900 75.451 1.00 0.00 ATOM 1092 CB GLU A 143 12.003 32.742 74.363 1.00 0.00 ATOM 1093 CG GLU A 143 11.554 34.194 74.337 1.00 0.00 ATOM 1094 CD GLU A 143 12.212 34.988 73.227 1.00 0.00 ATOM 1095 OE1 GLU A 143 13.007 34.397 72.464 1.00 0.00 ATOM 1096 OE2 GLU A 143 11.936 36.201 73.118 1.00 0.00 ATOM 1097 O GLU A 143 12.918 30.096 75.511 1.00 0.00 ATOM 1098 C GLU A 143 11.754 30.456 75.285 1.00 0.00 ATOM 1099 N LEU A 144 10.801 29.640 74.860 1.00 0.00 ATOM 1100 CA LEU A 144 11.057 28.232 74.632 1.00 0.00 ATOM 1101 CB LEU A 144 9.981 27.376 75.303 1.00 0.00 ATOM 1102 CG LEU A 144 10.093 25.864 75.100 1.00 0.00 ATOM 1103 CD1 LEU A 144 11.361 25.326 75.745 1.00 0.00 ATOM 1104 CD2 LEU A 144 8.904 25.148 75.721 1.00 0.00 ATOM 1105 O LEU A 144 10.085 28.268 72.443 1.00 0.00 ATOM 1106 C LEU A 144 11.053 27.940 73.141 1.00 0.00 ATOM 1107 N MET A 145 12.160 27.398 72.641 1.00 0.00 ATOM 1108 CA MET A 145 12.260 26.994 71.240 1.00 0.00 ATOM 1109 CB MET A 145 13.629 27.370 70.671 1.00 0.00 ATOM 1110 CG MET A 145 13.929 28.860 70.706 1.00 0.00 ATOM 1111 SD MET A 145 12.808 29.819 69.670 1.00 0.00 ATOM 1112 CE MET A 145 13.159 31.481 70.240 1.00 0.00 ATOM 1113 O MET A 145 12.789 24.795 71.999 1.00 0.00 ATOM 1114 C MET A 145 12.057 25.487 71.295 1.00 0.00 ATOM 1115 N ARG A 146 10.996 24.882 70.620 1.00 0.00 ATOM 1116 CA ARG A 146 10.698 23.464 70.608 1.00 0.00 ATOM 1117 CB ARG A 146 9.279 23.210 71.123 1.00 0.00 ATOM 1118 CG ARG A 146 8.875 21.746 71.128 1.00 0.00 ATOM 1119 CD ARG A 146 7.476 21.561 71.695 1.00 0.00 ATOM 1120 NE ARG A 146 7.048 20.166 71.654 1.00 0.00 ATOM 1121 CZ ARG A 146 5.902 19.720 72.159 1.00 0.00 ATOM 1122 NH1 ARG A 146 5.597 18.433 72.076 1.00 0.00 ATOM 1123 NH2 ARG A 146 5.065 20.563 72.748 1.00 0.00 ATOM 1124 O ARG A 146 10.212 23.466 68.264 1.00 0.00 ATOM 1125 C ARG A 146 10.809 22.922 69.195 1.00 0.00 ATOM 1126 N ASP A 147 11.620 21.884 69.027 1.00 0.00 ATOM 1127 CA ASP A 147 11.816 21.299 67.710 1.00 0.00 ATOM 1128 CB ASP A 147 12.941 20.263 67.745 1.00 0.00 ATOM 1129 CG ASP A 147 13.248 19.689 66.377 1.00 0.00 ATOM 1130 OD1 ASP A 147 12.537 20.042 65.412 1.00 0.00 ATOM 1131 OD2 ASP A 147 14.200 18.888 66.268 1.00 0.00 ATOM 1132 O ASP A 147 10.002 19.770 68.017 1.00 0.00 ATOM 1133 C ASP A 147 10.512 20.628 67.302 1.00 0.00 ATOM 1134 N GLY A 148 9.972 21.041 66.159 1.00 0.00 ATOM 1135 CA GLY A 148 8.714 20.501 65.658 1.00 0.00 ATOM 1136 O GLY A 148 8.829 21.540 63.497 1.00 0.00 ATOM 1137 C GLY A 148 8.712 20.490 64.130 1.00 0.00 ATOM 1138 N GLU A 149 10.789 23.249 62.549 1.00 0.00 ATOM 1139 CA GLU A 149 10.924 24.692 62.763 1.00 0.00 ATOM 1140 CB GLU A 149 11.479 25.267 61.278 1.00 0.00 ATOM 1141 CG GLU A 149 12.089 24.290 60.284 1.00 0.00 ATOM 1142 CD GLU A 149 11.129 23.499 59.431 1.00 0.00 ATOM 1143 OE1 GLU A 149 10.064 23.084 59.951 1.00 0.00 ATOM 1144 OE2 GLU A 149 11.369 23.239 58.235 1.00 0.00 ATOM 1145 O GLU A 149 9.208 26.194 63.523 1.00 0.00 ATOM 1146 C GLU A 149 9.591 25.427 62.636 1.00 0.00 ATOM 1147 N TRP A 150 11.567 25.173 64.222 1.00 0.00 ATOM 1148 CA TRP A 150 11.504 25.579 65.619 1.00 0.00 ATOM 1149 CB TRP A 150 12.754 26.369 65.989 1.00 0.00 ATOM 1150 CG TRP A 150 13.993 25.555 65.912 1.00 0.00 ATOM 1151 CD1 TRP A 150 14.893 25.512 64.882 1.00 0.00 ATOM 1152 CD2 TRP A 150 14.449 24.656 66.907 1.00 0.00 ATOM 1153 CE2 TRP A 150 15.663 24.084 66.422 1.00 0.00 ATOM 1154 CE3 TRP A 150 13.967 24.266 68.163 1.00 0.00 ATOM 1155 NE1 TRP A 150 15.899 24.623 65.201 1.00 0.00 ATOM 1156 CZ2 TRP A 150 16.375 23.137 67.192 1.00 0.00 ATOM 1157 CZ3 TRP A 150 14.682 23.330 68.904 1.00 0.00 ATOM 1158 CH2 TRP A 150 15.870 22.776 68.406 1.00 0.00 ATOM 1159 O TRP A 150 9.990 27.399 65.284 1.00 0.00 ATOM 1160 C TRP A 150 10.253 26.387 65.927 1.00 0.00 ATOM 1161 N LEU A 151 9.491 25.934 66.913 1.00 0.00 ATOM 1162 CA LEU A 151 8.295 26.643 67.344 1.00 0.00 ATOM 1163 CB LEU A 151 7.181 25.655 67.692 1.00 0.00 ATOM 1164 CG LEU A 151 6.702 24.746 66.558 1.00 0.00 ATOM 1165 CD1 LEU A 151 5.651 23.768 67.060 1.00 0.00 ATOM 1166 CD2 LEU A 151 6.088 25.567 65.435 1.00 0.00 ATOM 1167 O LEU A 151 9.352 26.895 69.485 1.00 0.00 ATOM 1168 C LEU A 151 8.729 27.444 68.574 1.00 0.00 ATOM 1169 N VAL A 152 8.430 28.737 68.591 1.00 0.00 ATOM 1170 CA VAL A 152 8.827 29.597 69.699 1.00 0.00 ATOM 1171 CB VAL A 152 9.659 30.802 69.185 1.00 0.00 ATOM 1172 CG1 VAL A 152 10.008 31.722 70.322 1.00 0.00 ATOM 1173 CG2 VAL A 152 10.920 30.322 68.486 1.00 0.00 ATOM 1174 O VAL A 152 6.754 30.778 69.924 1.00 0.00 ATOM 1175 C VAL A 152 7.647 30.153 70.491 1.00 0.00 ATOM 1176 N THR A 153 7.683 29.974 71.809 1.00 0.00 ATOM 1177 CA THR A 153 6.632 30.511 72.678 1.00 0.00 ATOM 1178 CB THR A 153 5.727 29.381 73.201 1.00 0.00 ATOM 1179 CG2 THR A 153 4.615 29.946 74.070 1.00 0.00 ATOM 1180 OG1 THR A 153 5.142 28.683 72.095 1.00 0.00 ATOM 1181 O THR A 153 8.161 30.687 74.519 1.00 0.00 ATOM 1182 C THR A 153 7.224 31.198 73.908 1.00 0.00 ATOM 1183 N ASP A 154 6.607 32.327 74.241 1.00 0.00 ATOM 1184 CA ASP A 154 7.109 33.009 75.499 1.00 0.00 ATOM 1185 CB ASP A 154 5.949 34.195 75.859 1.00 0.00 ATOM 1186 CG ASP A 154 5.283 35.030 74.806 1.00 0.00 ATOM 1187 OD1 ASP A 154 5.738 35.007 73.646 1.00 0.00 ATOM 1188 OD2 ASP A 154 4.289 35.707 75.173 1.00 0.00 ATOM 1189 O ASP A 154 7.604 32.164 77.666 1.00 0.00 ATOM 1190 C ASP A 154 6.753 32.214 76.746 1.00 0.00 ENDMDL EXPDTA 2iabA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2iabA ATOM 1 C THR 2 -12.752 31.807 37.201 1.00 0.00 ATOM 2 N THR A 3 15.593 46.412 85.492 1.00 0.00 ATOM 3 CA THR A 3 15.082 45.279 84.705 1.00 0.00 ATOM 4 O THR A 3 13.836 46.491 83.021 1.00 0.00 ATOM 5 C THR A 3 14.797 45.748 83.257 1.00 0.00 ATOM 6 N PRO A 4 15.639 45.337 82.292 1.00 0.00 ATOM 7 CA PRO A 4 15.375 45.711 80.904 1.00 0.00 ATOM 8 CB PRO A 4 16.608 45.176 80.142 1.00 0.00 ATOM 9 CG PRO A 4 17.630 44.849 81.202 1.00 0.00 ATOM 10 CD PRO A 4 16.832 44.481 82.406 1.00 0.00 ATOM 11 O PRO A 4 13.829 43.871 80.790 1.00 0.00 ATOM 12 C PRO A 4 14.128 45.010 80.356 1.00 0.00 ATOM 13 N PRO A 5 13.439 45.642 79.372 1.00 0.00 ATOM 14 CA PRO A 5 12.270 44.997 78.754 1.00 0.00 ATOM 15 CB PRO A 5 11.899 45.953 77.608 1.00 0.00 ATOM 16 CG PRO A 5 13.171 46.715 77.351 1.00 0.00 ATOM 17 CD PRO A 5 13.717 46.938 78.733 1.00 0.00 ATOM 18 O PRO A 5 13.770 43.310 77.884 1.00 0.00 ATOM 19 C PRO A 5 12.605 43.585 78.225 1.00 0.00 ATOM 20 N ALA A 6 11.594 42.712 78.213 1.00 0.00 ATOM 21 CA ALA A 6 11.721 41.342 77.734 1.00 0.00 ATOM 22 CB ALA A 6 10.355 40.631 77.718 1.00 0.00 ATOM 23 O ALA A 6 11.861 42.114 75.453 1.00 0.00 ATOM 24 C ALA A 6 12.311 41.342 76.329 1.00 0.00 ATOM 25 N ARG A 7 13.302 40.470 76.117 1.00 0.00 ATOM 26 CA ARG A 7 13.890 40.310 74.791 1.00 0.00 ATOM 27 CB ARG A 7 15.206 39.500 74.859 1.00 0.00 ATOM 28 CG ARG A 7 16.344 40.129 75.662 1.00 0.00 ATOM 29 CD ARG A 7 17.444 39.105 75.919 1.00 0.00 ATOM 30 NE ARG A 7 16.999 38.004 76.796 1.00 0.00 ATOM 31 CZ ARG A 7 17.663 36.870 77.015 1.00 0.00 ATOM 32 NH1 ARG A 7 18.851 36.654 76.458 1.00 0.00 ATOM 33 NH2 ARG A 7 17.150 35.954 77.842 1.00 0.00 ATOM 34 O ARG A 7 12.191 38.628 74.299 1.00 0.00 ATOM 35 C ARG A 7 12.916 39.574 73.858 1.00 0.00 ATOM 36 N THR A 8 12.924 40.004 72.580 1.00 0.00 ATOM 37 CA THR A 8 12.306 39.232 71.473 1.00 0.00 ATOM 38 CB THR A 8 12.378 39.965 70.095 1.00 0.00 ATOM 39 CG2 THR A 8 12.116 41.438 70.250 1.00 0.00 ATOM 40 OG1 THR A 8 13.656 39.728 69.476 1.00 0.00 ATOM 41 O THR A 8 14.090 37.577 71.656 1.00 0.00 ATOM 42 C THR A 8 12.947 37.845 71.249 1.00 0.00 ATOM 43 N ALA A 9 12.206 36.987 70.558 1.00 0.00 ATOM 44 CA ALA A 9 12.651 35.616 70.234 1.00 0.00 ATOM 45 CB ALA A 9 11.516 34.850 69.514 1.00 0.00 ATOM 46 O ALA A 9 14.854 34.806 69.714 1.00 0.00 ATOM 47 C ALA A 9 13.944 35.560 69.391 1.00 0.00 ATOM 48 N LYS A 10 14.018 36.349 68.328 1.00 0.00 ATOM 49 CA LYS A 10 15.252 36.481 67.538 1.00 0.00 ATOM 50 CB LYS A 10 15.040 37.418 66.354 1.00 0.00 ATOM 51 CG LYS A 10 16.094 37.310 65.241 1.00 0.00 ATOM 52 CD LYS A 10 15.762 38.280 64.097 1.00 0.00 ATOM 53 CE LYS A 10 16.952 38.515 63.174 1.00 0.00 ATOM 54 O LYS A 10 17.525 36.347 68.318 1.00 0.00 ATOM 55 C LYS A 10 16.459 36.929 68.402 1.00 0.00 ATOM 56 N GLN A 11 16.283 37.927 69.255 1.00 0.00 ATOM 57 CA GLN A 11 17.407 38.405 70.082 1.00 0.00 ATOM 58 CB GLN A 11 17.141 39.809 70.662 1.00 0.00 ATOM 59 CG GLN A 11 18.306 40.829 70.512 1.00 0.00 ATOM 60 CD GLN A 11 19.469 40.622 71.477 1.00 0.00 ATOM 61 OE1 GLN A 11 19.411 41.001 72.661 1.00 0.00 ATOM 62 NE2 GLN A 11 20.553 40.051 70.961 1.00 0.00 ATOM 63 O GLN A 11 18.912 37.251 71.566 1.00 0.00 ATOM 64 C GLN A 11 17.732 37.417 71.208 1.00 0.00 ATOM 65 N ARG A 12 16.708 36.764 71.772 1.00 0.00 ATOM 66 CA ARG A 12 16.949 35.708 72.737 1.00 0.00 ATOM 67 CB ARG A 12 15.645 35.143 73.369 1.00 0.00 ATOM 68 CG ARG A 12 15.043 36.042 74.432 1.00 0.00 ATOM 69 CD ARG A 12 14.076 35.296 75.368 1.00 0.00 ATOM 70 NE ARG A 12 12.894 36.135 75.646 1.00 0.00 ATOM 71 CZ ARG A 12 12.033 35.883 76.613 1.00 0.00 ATOM 72 NH1 ARG A 12 12.202 34.806 77.388 1.00 0.00 ATOM 73 NH2 ARG A 12 10.999 36.682 76.806 1.00 0.00 ATOM 74 O ARG A 12 18.564 33.945 72.793 1.00 0.00 ATOM 75 C ARG A 12 17.728 34.572 72.126 1.00 0.00 ATOM 76 N ILE A 13 17.432 34.240 70.883 1.00 0.00 ATOM 77 CA ILE A 13 18.099 33.119 70.281 1.00 0.00 ATOM 78 CB ILE A 13 17.424 32.644 69.001 1.00 0.00 ATOM 79 CG1 ILE A 13 16.142 31.854 69.352 1.00 0.00 ATOM 80 CG2 ILE A 13 18.354 31.665 68.250 1.00 0.00 ATOM 81 CD1 ILE A 13 15.196 31.683 68.187 1.00 0.00 ATOM 82 O ILE A 13 20.462 32.648 70.411 1.00 0.00 ATOM 83 C ILE A 13 19.582 33.460 70.081 1.00 0.00 ATOM 84 N GLN A 14 19.845 34.642 69.508 1.00 0.00 ATOM 85 CA GLN A 14 21.224 35.096 69.331 1.00 0.00 ATOM 86 CB GLN A 14 21.300 36.457 68.641 1.00 0.00 ATOM 87 CG GLN A 14 22.754 36.761 68.190 1.00 0.00 ATOM 88 CD GLN A 14 23.434 35.578 67.442 1.00 0.00 ATOM 89 OE1 GLN A 14 22.962 35.165 66.356 1.00 0.00 ATOM 90 NE2 GLN A 14 24.537 35.014 68.040 1.00 0.00 ATOM 91 O GLN A 14 23.104 34.723 70.717 1.00 0.00 ATOM 92 C GLN A 14 21.975 35.168 70.657 1.00 0.00 ATOM 93 N ASP A 15 21.350 35.708 71.696 1.00 0.00 ATOM 94 CA ASP A 15 21.943 35.763 73.043 1.00 0.00 ATOM 95 CB ASP A 15 21.041 36.446 74.064 1.00 0.00 ATOM 96 CG ASP A 15 20.925 37.934 73.878 1.00 0.00 ATOM 97 OD1 ASP A 15 21.647 38.526 73.067 1.00 0.00 ATOM 98 OD2 ASP A 15 20.054 38.501 74.561 1.00 0.00 ATOM 99 O ASP A 15 23.227 34.071 74.228 1.00 0.00 ATOM 100 C ASP A 15 22.190 34.352 73.596 1.00 0.00 ATOM 101 N THR A 16 21.240 33.467 73.373 1.00 0.00 ATOM 102 CA THR A 16 21.383 32.076 73.823 1.00 0.00 ATOM 103 CB THR A 16 20.061 31.301 73.641 1.00 0.00 ATOM 104 CG2 THR A 16 20.210 29.848 73.985 1.00 0.00 ATOM 105 OG1 THR A 16 19.031 31.934 74.444 1.00 0.00 ATOM 106 O THR A 16 23.365 30.719 73.760 1.00 0.00 ATOM 107 C THR A 16 22.551 31.375 73.123 1.00 0.00 ATOM 108 N LEU A 17 22.634 31.524 71.811 1.00 0.00 ATOM 109 CA LEU A 17 23.754 31.001 71.058 1.00 0.00 ATOM 110 CB LEU A 17 23.598 31.332 69.562 1.00 0.00 ATOM 111 CG LEU A 17 22.465 30.607 68.826 1.00 0.00 ATOM 112 CD1 LEU A 17 22.430 31.100 67.402 1.00 0.00 ATOM 113 CD2 LEU A 17 22.659 29.107 68.923 1.00 0.00 ATOM 114 O LEU A 17 26.056 30.845 71.680 1.00 0.00 ATOM 115 C LEU A 17 25.078 31.565 71.575 1.00 0.00 ATOM 116 N ASN A 18 25.141 32.855 71.859 1.00 0.00 ATOM 117 CA ASN A 18 26.397 33.425 72.420 1.00 0.00 ATOM 118 CB ASN A 18 26.291 34.947 72.611 1.00 0.00 ATOM 119 CG ASN A 18 26.136 35.743 71.274 1.00 0.00 ATOM 120 ND2 ASN A 18 25.696 36.989 71.394 1.00 0.00 ATOM 121 OD1 ASN A 18 26.409 35.238 70.175 1.00 0.00 ATOM 122 O ASN A 18 27.909 32.539 74.087 1.00 0.00 ATOM 123 C ASN A 18 26.758 32.773 73.786 1.00 0.00 ATOM 124 N ARG A 19 25.754 32.542 74.621 1.00 0.00 ATOM 125 CA ARG A 19 25.945 31.945 75.937 1.00 0.00 ATOM 126 CB ARG A 19 24.636 31.993 76.736 1.00 0.00 ATOM 127 CG ARG A 19 24.582 31.159 78.070 1.00 0.00 ATOM 128 CD ARG A 19 25.523 31.685 79.089 1.00 0.00 ATOM 129 NE ARG A 19 25.103 32.982 79.568 1.00 0.00 ATOM 130 CZ ARG A 19 25.865 33.821 80.243 1.00 0.00 ATOM 131 NH1 ARG A 19 27.117 33.547 80.507 1.00 0.00 ATOM 132 NH2 ARG A 19 25.359 34.966 80.665 1.00 0.00 ATOM 133 O ARG A 19 27.423 30.121 76.417 1.00 0.00 ATOM 134 C ARG A 19 26.460 30.515 75.759 1.00 0.00 ATOM 135 N LEU A 20 25.869 29.771 74.813 1.00 0.00 ATOM 136 CA LEU A 20 26.285 28.388 74.562 1.00 0.00 ATOM 137 CB LEU A 20 25.334 27.665 73.601 1.00 0.00 ATOM 138 CG LEU A 20 23.848 27.511 74.069 1.00 0.00 ATOM 139 CD1 LEU A 20 23.057 26.733 73.083 1.00 0.00 ATOM 140 CD2 LEU A 20 23.782 26.839 75.454 1.00 0.00 ATOM 141 O LEU A 20 28.450 27.410 74.456 1.00 0.00 ATOM 142 C LEU A 20 27.729 28.336 74.081 1.00 0.00 ATOM 143 N GLU A 21 28.153 29.310 73.273 1.00 0.00 ATOM 144 CA GLU A 21 29.498 29.374 72.749 1.00 0.00 ATOM 145 CB GLU A 21 29.612 30.365 71.581 1.00 0.00 ATOM 146 CG GLU A 21 28.862 29.904 70.283 1.00 0.00 ATOM 147 CD GLU A 21 29.539 28.725 69.483 1.00 0.00 ATOM 148 OE1 GLU A 21 30.621 28.265 69.889 1.00 0.00 ATOM 149 OE2 GLU A 21 28.964 28.243 68.435 1.00 0.00 ATOM 150 O GLU A 21 31.627 29.410 73.848 1.00 0.00 ATOM 151 C GLU A 21 30.465 29.801 73.846 1.00 0.00 ATOM 152 N LEU A 22 29.981 30.593 74.801 1.00 0.00 ATOM 153 CA LEU A 22 30.856 31.118 75.842 1.00 0.00 ATOM 154 CB LEU A 22 30.300 32.449 76.317 1.00 0.00 ATOM 155 CG LEU A 22 31.150 33.252 77.307 1.00 0.00 ATOM 156 CD1 LEU A 22 32.412 33.769 76.664 1.00 0.00 ATOM 157 CD2 LEU A 22 30.360 34.415 77.851 1.00 0.00 ATOM 158 O LEU A 22 32.205 30.009 77.475 1.00 0.00 ATOM 159 C LEU A 22 31.093 30.203 77.062 1.00 0.00 ATOM 160 N ASP A 23 30.036 29.685 77.660 1.00 0.00 ATOM 161 CA ASP A 23 30.156 28.949 78.903 1.00 0.00 ATOM 162 CB ASP A 23 28.788 28.761 79.554 1.00 0.00 ATOM 163 CG ASP A 23 28.349 29.990 80.346 1.00 0.00 ATOM 164 OD1 ASP A 23 28.788 31.114 80.005 1.00 0.00 ATOM 165 OD2 ASP A 23 27.575 29.830 81.309 1.00 0.00 ATOM 166 O ASP A 23 30.882 27.039 77.595 1.00 0.00 ATOM 167 C ASP A 23 30.888 27.607 78.682 1.00 0.00 ATOM 168 N VAL A 24 31.571 27.175 79.703 1.00 0.00 ATOM 169 CA VAL A 24 32.337 25.948 79.664 1.00 0.00 ATOM 170 CB VAL A 24 33.677 26.133 80.432 1.00 0.00 ATOM 171 CG1 VAL A 24 34.535 24.865 80.331 1.00 0.00 ATOM 172 CG2 VAL A 24 34.438 27.281 79.850 1.00 0.00 ATOM 173 O VAL A 24 31.769 23.617 79.828 1.00 0.00 ATOM 174 C VAL A 24 31.584 24.778 80.269 1.00 0.00 ATOM 175 N ASP A 25 30.819 25.069 81.318 1.00 0.00 ATOM 176 CA ASP A 25 30.141 24.049 82.109 1.00 0.00 ATOM 177 CB ASP A 25 30.466 24.169 83.599 1.00 0.00 ATOM 178 CG ASP A 25 31.937 24.159 83.894 1.00 0.00 ATOM 179 OD1 ASP A 25 32.696 23.392 83.271 1.00 0.00 ATOM 180 OD2 ASP A 25 32.346 24.973 84.744 1.00 0.00 ATOM 181 O ASP A 25 28.012 25.197 81.779 1.00 0.00 ATOM 182 C ASP A 25 28.606 24.119 81.977 1.00 0.00 ATOM 183 N ALA A 26 28.002 22.947 82.146 1.00 0.00 ATOM 184 CA ALA A 26 26.566 22.739 82.281 1.00 0.00 ATOM 185 CB ALA A 26 26.002 22.082 81.072 1.00 0.00 ATOM 186 O ALA A 26 26.949 20.867 83.753 1.00 0.00 ATOM 187 C ALA A 26 26.241 21.850 83.449 1.00 0.00 ATOM 188 N TRP A 27 25.106 22.149 84.057 1.00 0.00 ATOM 189 CA TRP A 27 24.507 21.240 85.022 1.00 0.00 ATOM 190 CB TRP A 27 23.497 21.959 85.930 1.00 0.00 ATOM 191 CG TRP A 27 24.093 22.903 86.942 1.00 0.00 ATOM 192 CD1 TRP A 27 24.334 24.231 86.768 1.00 0.00 ATOM 193 CD2 TRP A 27 24.557 22.587 88.267 1.00 0.00 ATOM 194 CE2 TRP A 27 25.061 23.771 88.823 1.00 0.00 ATOM 195 CE3 TRP A 27 24.633 21.400 89.020 1.00 0.00 ATOM 196 NE1 TRP A 27 24.898 24.762 87.896 1.00 0.00 ATOM 197 CZ2 TRP A 27 25.585 23.830 90.110 1.00 0.00 ATOM 198 CZ3 TRP A 27 25.153 21.449 90.307 1.00 0.00 ATOM 199 CH2 TRP A 27 25.620 22.672 90.846 1.00 0.00 ATOM 200 O TRP A 27 22.953 20.381 83.391 1.00 0.00 ATOM 201 C TRP A 27 23.821 20.131 84.209 1.00 0.00 ATOM 202 N VAL A 28 24.209 18.892 84.448 1.00 0.00 ATOM 203 CA VAL A 28 23.767 17.768 83.626 1.00 0.00 ATOM 204 CB VAL A 28 24.932 16.962 83.122 1.00 0.00 ATOM 205 CG1 VAL A 28 24.472 15.777 82.331 1.00 0.00 ATOM 206 CG2 VAL A 28 25.840 17.876 82.260 1.00 0.00 ATOM 207 O VAL A 28 23.259 16.293 85.479 1.00 0.00 ATOM 208 C VAL A 28 22.840 16.925 84.488 1.00 0.00 ATOM 209 N SER A 29 21.566 16.917 84.083 1.00 0.00 ATOM 210 CA SER A 29 20.544 16.238 84.805 1.00 0.00 ATOM 211 CB SER A 29 19.367 17.197 84.974 1.00 0.00 ATOM 212 OG SER A 29 18.392 16.665 85.819 1.00 0.00 ATOM 213 O SER A 29 19.651 15.005 82.876 1.00 0.00 ATOM 214 C SER A 29 20.092 14.976 84.060 1.00 0.00 ATOM 215 N THR A 30 20.148 13.873 84.778 1.00 0.00 ATOM 216 CA THR A 30 19.835 12.532 84.251 1.00 0.00 ATOM 217 CB THR A 30 21.119 11.684 83.850 1.00 0.00 ATOM 218 CG2 THR A 30 21.929 12.375 82.757 1.00 0.00 ATOM 219 OG1 THR A 30 21.960 11.423 84.998 1.00 0.00 ATOM 220 O THR A 30 18.747 12.239 86.394 1.00 0.00 ATOM 221 C THR A 30 18.994 11.772 85.260 1.00 0.00 ATOM 222 N ALA A 31 18.526 10.587 84.833 1.00 0.00 ATOM 223 CA ALA A 31 17.696 9.734 85.654 1.00 0.00 ATOM 224 CB ALA A 31 16.238 9.998 85.372 1.00 0.00 ATOM 225 O ALA A 31 18.329 7.924 84.229 1.00 0.00 ATOM 226 C ALA A 31 18.035 8.273 85.366 1.00 0.00 ATOM 227 N GLY A 32 18.040 7.449 86.405 1.00 0.00 ATOM 228 CA GLY A 32 18.166 5.983 86.227 1.00 0.00 ATOM 229 O GLY A 32 15.856 5.946 85.473 1.00 0.00 ATOM 230 C GLY A 32 16.976 5.384 85.495 1.00 0.00 ATOM 231 N ALA A 33 17.230 4.207 84.927 1.00 0.00 ATOM 232 CA ALA A 33 16.286 3.481 84.102 1.00 0.00 ATOM 233 CB ALA A 33 16.980 2.327 83.374 1.00 0.00 ATOM 234 O ALA A 33 14.042 2.836 84.392 1.00 0.00 ATOM 235 C ALA A 33 15.133 2.966 84.926 1.00 0.00 ATOM 236 N ASP A 34 15.364 2.758 86.221 1.00 0.00 ATOM 237 CA ASP A 34 14.367 2.178 87.096 1.00 0.00 ATOM 238 CB ASP A 34 15.042 1.135 88.009 1.00 0.00 ATOM 239 CG ASP A 34 15.724 -0.013 87.206 1.00 0.00 ATOM 240 OD1 ASP A 34 15.112 -0.553 86.243 1.00 0.00 ATOM 241 OD2 ASP A 34 16.882 -0.373 87.539 1.00 0.00 ATOM 242 O ASP A 34 12.654 2.696 88.703 1.00 0.00 ATOM 243 C ASP A 34 13.459 3.142 87.909 1.00 0.00 ATOM 244 N GLY A 35 13.540 4.448 87.720 1.00 0.00 ATOM 245 CA GLY A 35 12.454 5.318 88.199 1.00 0.00 ATOM 246 O GLY A 35 13.260 5.312 90.448 1.00 0.00 ATOM 247 C GLY A 35 12.677 5.932 89.562 1.00 0.00 ATOM 248 N GLY A 36 12.193 7.157 89.724 1.00 0.00 ATOM 249 CA GLY A 36 12.553 8.008 90.868 1.00 0.00 ATOM 250 O GLY A 36 14.308 7.944 92.467 1.00 0.00 ATOM 251 C GLY A 36 14.019 7.995 91.285 1.00 0.00 ATOM 252 N ALA A 37 14.944 8.052 90.329 1.00 0.00 ATOM 253 CA ALA A 37 16.372 8.107 90.642 1.00 0.00 ATOM 254 CB ALA A 37 17.031 6.764 90.288 1.00 0.00 ATOM 255 O ALA A 37 17.891 9.059 88.957 1.00 0.00 ATOM 256 C ALA A 37 17.081 9.271 89.905 1.00 0.00 ATOM 257 N PRO A 38 16.875 10.509 90.390 1.00 0.00 ATOM 258 CA PRO A 38 17.536 11.655 89.756 1.00 0.00 ATOM 259 CB PRO A 38 16.831 12.859 90.418 1.00 0.00 ATOM 260 CG PRO A 38 16.457 12.340 91.771 1.00 0.00 ATOM 261 CD PRO A 38 16.035 10.922 91.532 1.00 0.00 ATOM 262 O PRO A 38 19.525 11.233 91.040 1.00 0.00 ATOM 263 C PRO A 38 19.045 11.705 90.016 1.00 0.00 ATOM 264 N TYR A 39 19.776 12.325 89.108 1.00 0.00 ATOM 265 CA TYR A 39 21.196 12.559 89.299 1.00 0.00 ATOM 266 CB TYR A 39 22.016 11.404 88.676 1.00 0.00 ATOM 267 CG TYR A 39 23.428 11.378 89.178 1.00 0.00 ATOM 268 CD1 TYR A 39 23.769 10.760 90.401 1.00 0.00 ATOM 269 CD2 TYR A 39 24.404 12.015 88.490 1.00 0.00 ATOM 270 CE1 TYR A 39 25.094 10.801 90.882 1.00 0.00 ATOM 271 CE2 TYR A 39 25.714 12.050 88.948 1.00 0.00 ATOM 272 CZ TYR A 39 26.050 11.467 90.129 1.00 0.00 ATOM 273 OH TYR A 39 27.362 11.517 90.533 1.00 0.00 ATOM 274 O TYR A 39 21.026 14.202 87.570 1.00 0.00 ATOM 275 C TYR A 39 21.529 13.901 88.658 1.00 0.00 ATOM 276 N LEU A 40 22.360 14.689 89.349 1.00 0.00 ATOM 277 CA LEU A 40 22.769 15.986 88.903 1.00 0.00 ATOM 278 CB LEU A 40 21.898 17.037 89.593 1.00 0.00 ATOM 279 CG LEU A 40 22.156 18.494 89.221 1.00 0.00 ATOM 280 CD1 LEU A 40 21.735 18.742 87.825 1.00 0.00 ATOM 281 CD2 LEU A 40 21.375 19.380 90.181 1.00 0.00 ATOM 282 O LEU A 40 24.693 16.008 90.346 1.00 0.00 ATOM 283 C LEU A 40 24.229 16.220 89.206 1.00 0.00 ATOM 284 N VAL A 41 24.962 16.677 88.188 1.00 0.00 ATOM 285 CA VAL A 41 26.372 17.052 88.347 1.00 0.00 ATOM 286 CB VAL A 41 27.312 15.763 88.386 1.00 0.00 ATOM 287 CG1 VAL A 41 27.321 15.054 87.020 1.00 0.00 ATOM 288 CG2 VAL A 41 28.698 16.119 88.716 1.00 0.00 ATOM 289 O VAL A 41 26.206 17.935 86.128 1.00 0.00 ATOM 290 C VAL A 41 26.750 18.031 87.224 1.00 0.00 ATOM 291 N PRO A 42 27.633 19.005 87.490 1.00 0.00 ATOM 292 CA PRO A 42 28.181 19.772 86.339 1.00 0.00 ATOM 293 CB PRO A 42 28.752 21.041 86.971 1.00 0.00 ATOM 294 CG PRO A 42 28.482 20.963 88.370 1.00 0.00 ATOM 295 CD PRO A 42 28.171 19.527 88.750 1.00 0.00 ATOM 296 O PRO A 42 30.122 18.426 86.115 1.00 0.00 ATOM 297 C PRO A 42 29.248 19.055 85.549 1.00 0.00 ATOM 298 N LEU A 43 29.169 19.140 84.237 1.00 0.00 ATOM 299 CA LEU A 43 30.247 18.677 83.394 1.00 0.00 ATOM 300 CB LEU A 43 29.805 17.430 82.603 1.00 0.00 ATOM 301 CG LEU A 43 29.384 16.170 83.419 1.00 0.00 ATOM 302 CD1 LEU A 43 28.823 15.186 82.418 1.00 0.00 ATOM 303 CD2 LEU A 43 30.485 15.564 84.189 1.00 0.00 ATOM 304 O LEU A 43 29.719 20.673 82.103 1.00 0.00 ATOM 305 C LEU A 43 30.561 19.807 82.411 1.00 0.00 ATOM 306 N SER A 44 31.733 19.724 81.845 1.00 0.00 ATOM 307 CA SER A 44 32.156 20.573 80.745 1.00 0.00 ATOM 308 CB SER A 44 33.661 20.563 80.686 1.00 0.00 ATOM 309 OG SER A 44 34.171 21.221 81.837 1.00 0.00 ATOM 310 O SER A 44 31.211 18.979 79.260 1.00 0.00 ATOM 311 C SER A 44 31.513 20.137 79.432 1.00 0.00 ATOM 312 N TYR A 45 31.320 21.078 78.501 1.00 0.00 ATOM 313 CA TYR A 45 30.719 20.766 77.243 1.00 0.00 ATOM 314 CB TYR A 45 29.209 21.001 77.275 1.00 0.00 ATOM 315 CG TYR A 45 28.829 22.464 77.243 1.00 0.00 ATOM 316 CD1 TYR A 45 28.684 23.153 76.029 1.00 0.00 ATOM 317 CD2 TYR A 45 28.586 23.163 78.434 1.00 0.00 ATOM 318 CE1 TYR A 45 28.363 24.529 76.000 1.00 0.00 ATOM 319 CE2 TYR A 45 28.256 24.544 78.401 1.00 0.00 ATOM 320 CZ TYR A 45 28.160 25.204 77.180 1.00 0.00 ATOM 321 OH TYR A 45 27.839 26.547 77.164 1.00 0.00 ATOM 322 O TYR A 45 32.001 22.567 76.330 1.00 0.00 ATOM 323 C TYR A 45 31.357 21.553 76.123 1.00 0.00 ATOM 324 N LEU A 46 31.176 21.024 74.934 1.00 0.00 ATOM 325 CA LEU A 46 31.445 21.745 73.694 1.00 0.00 ATOM 326 CB LEU A 46 32.460 21.039 72.876 1.00 0.00 ATOM 327 CG LEU A 46 32.702 21.583 71.465 1.00 0.00 ATOM 328 CD1 LEU A 46 33.431 22.950 71.486 1.00 0.00 ATOM 329 CD2 LEU A 46 33.495 20.541 70.646 1.00 0.00 ATOM 330 O LEU A 46 29.516 20.836 72.626 1.00 0.00 ATOM 331 C LEU A 46 30.165 21.852 72.909 1.00 0.00 ATOM 332 N TRP A 47 29.819 23.082 72.540 1.00 0.00 ATOM 333 CA TRP A 47 28.720 23.350 71.620 1.00 0.00 ATOM 334 CB TRP A 47 27.824 24.450 72.198 1.00 0.00 ATOM 335 CG TRP A 47 26.804 25.106 71.260 1.00 0.00 ATOM 336 CD1 TRP A 47 26.904 26.376 70.706 1.00 0.00 ATOM 337 CD2 TRP A 47 25.548 24.600 70.854 1.00 0.00 ATOM 338 CE2 TRP A 47 24.925 25.596 70.057 1.00 0.00 ATOM 339 CE3 TRP A 47 24.871 23.400 71.064 1.00 0.00 ATOM 340 NE1 TRP A 47 25.796 26.639 69.950 1.00 0.00 ATOM 341 CZ2 TRP A 47 23.700 25.396 69.455 1.00 0.00 ATOM 342 CZ3 TRP A 47 23.636 23.234 70.486 1.00 0.00 ATOM 343 CH2 TRP A 47 23.065 24.218 69.681 1.00 0.00 ATOM 344 O TRP A 47 30.090 24.702 70.176 1.00 0.00 ATOM 345 C TRP A 47 29.260 23.795 70.253 1.00 0.00 ATOM 346 N ASP A 48 28.754 23.181 69.190 1.00 0.00 ATOM 347 CA ASP A 48 29.208 23.517 67.835 1.00 0.00 ATOM 348 CB ASP A 48 29.684 22.235 67.106 1.00 0.00 ATOM 349 CG ASP A 48 28.540 21.337 66.704 1.00 0.00 ATOM 350 OD1 ASP A 48 27.363 21.619 67.071 1.00 0.00 ATOM 351 OD2 ASP A 48 28.807 20.383 65.955 1.00 0.00 ATOM 352 O ASP A 48 28.382 24.360 65.717 1.00 0.00 ATOM 353 C ASP A 48 28.202 24.277 66.954 1.00 0.00 ATOM 354 N GLY A 49 27.121 24.782 67.556 1.00 0.00 ATOM 355 CA GLY A 49 26.048 25.391 66.774 1.00 0.00 ATOM 356 O GLY A 49 23.826 24.914 65.996 1.00 0.00 ATOM 357 C GLY A 49 24.880 24.473 66.503 1.00 0.00 ATOM 358 N GLU A 50 25.050 23.177 66.779 1.00 0.00 ATOM 359 CA GLU A 50 24.048 22.182 66.443 1.00 0.00 ATOM 360 CB GLU A 50 24.502 21.503 65.129 1.00 0.00 ATOM 361 CG GLU A 50 23.538 20.546 64.631 1.00 0.00 ATOM 362 CD GLU A 50 23.953 19.863 63.320 1.00 0.00 ATOM 363 OE1 GLU A 50 25.067 19.350 63.213 1.00 0.00 ATOM 364 OE2 GLU A 50 23.116 19.829 62.423 1.00 0.00 ATOM 365 O GLU A 50 22.679 20.850 67.900 1.00 0.00 ATOM 366 C GLU A 50 23.811 21.153 67.551 1.00 0.00 ATOM 367 N THR A 51 24.888 20.603 68.080 1.00 0.00 ATOM 368 CA THR A 51 24.865 19.634 69.175 1.00 0.00 ATOM 369 CB THR A 51 25.236 18.193 68.686 1.00 0.00 ATOM 370 CG2 THR A 51 24.326 17.692 67.633 1.00 0.00 ATOM 371 OG1 THR A 51 26.556 18.209 68.178 1.00 0.00 ATOM 372 O THR A 51 26.787 20.836 70.092 1.00 0.00 ATOM 373 C THR A 51 25.866 20.020 70.276 1.00 0.00 ATOM 374 N PHE A 52 25.648 19.437 71.445 1.00 0.00 ATOM 375 CA PHE A 52 26.537 19.478 72.568 1.00 0.00 ATOM 376 CB PHE A 52 25.809 19.571 73.907 1.00 0.00 ATOM 377 CG PHE A 52 24.993 20.803 74.086 1.00 0.00 ATOM 378 CD1 PHE A 52 23.720 20.884 73.598 1.00 0.00 ATOM 379 CD2 PHE A 52 25.518 21.883 74.769 1.00 0.00 ATOM 380 CE1 PHE A 52 22.932 22.076 73.810 1.00 0.00 ATOM 381 CE2 PHE A 52 24.780 23.049 74.970 1.00 0.00 ATOM 382 CZ PHE A 52 23.481 23.143 74.482 1.00 0.00 ATOM 383 O PHE A 52 26.792 17.087 72.231 1.00 0.00 ATOM 384 C PHE A 52 27.296 18.148 72.605 1.00 0.00 ATOM 385 N LEU A 53 28.523 18.244 73.080 1.00 0.00 ATOM 386 CA LEU A 53 29.358 17.127 73.341 1.00 0.00 ATOM 387 CB LEU A 53 30.509 17.102 72.354 1.00 0.00 ATOM 388 CG LEU A 53 31.329 15.807 72.332 1.00 0.00 ATOM 389 CD1 LEU A 53 30.513 14.690 71.769 1.00 0.00 ATOM 390 CD2 LEU A 53 32.564 15.987 71.489 1.00 0.00 ATOM 391 O LEU A 53 30.443 18.244 75.180 1.00 0.00 ATOM 392 C LEU A 53 29.889 17.221 74.761 1.00 0.00 ATOM 393 N VAL A 54 29.682 16.147 75.508 1.00 0.00 ATOM 394 CA VAL A 54 30.179 16.029 76.902 1.00 0.00 ATOM 395 CB VAL A 54 29.027 15.988 77.951 1.00 0.00 ATOM 396 CG1 VAL A 54 28.231 17.303 77.898 1.00 0.00 ATOM 397 CG2 VAL A 54 28.109 14.757 77.777 1.00 0.00 ATOM 398 O VAL A 54 30.900 13.911 76.062 1.00 0.00 ATOM 399 C VAL A 54 30.995 14.732 76.954 1.00 0.00 ATOM 400 N ALA A 55 31.826 14.566 77.963 1.00 0.00 ATOM 401 CA ALA A 55 32.530 13.317 78.106 1.00 0.00 ATOM 402 CB ALA A 55 33.944 13.478 77.596 1.00 0.00 ATOM 403 O ALA A 55 32.734 13.781 80.459 1.00 0.00 ATOM 404 C ALA A 55 32.512 12.931 79.598 1.00 0.00 ATOM 405 N THR A 56 32.312 11.643 79.876 1.00 0.00 ATOM 406 CA THR A 56 32.354 11.124 81.233 1.00 0.00 ATOM 407 CB THR A 56 30.938 11.342 81.906 1.00 0.00 ATOM 408 CG2 THR A 56 29.892 10.447 81.277 1.00 0.00 ATOM 409 OG1 THR A 56 31.000 11.029 83.298 1.00 0.00 ATOM 410 O THR A 56 32.640 8.986 80.183 1.00 0.00 ATOM 411 C THR A 56 32.793 9.647 81.211 1.00 0.00 ATOM 412 N PRO A 57 33.385 9.127 82.330 1.00 0.00 ATOM 413 CA PRO A 57 33.632 7.722 82.344 1.00 0.00 ATOM 414 CB PRO A 57 34.140 7.463 83.773 1.00 0.00 ATOM 415 CG PRO A 57 34.841 8.744 84.138 1.00 0.00 ATOM 416 CD PRO A 57 33.944 9.797 83.531 1.00 0.00 ATOM 417 O PRO A 57 31.270 7.292 82.451 1.00 0.00 ATOM 418 C PRO A 57 32.369 6.948 82.010 1.00 0.00 ATOM 419 N ALA A 58 32.499 5.935 81.173 1.00 0.00 ATOM 420 CA ALA A 58 31.341 5.096 80.827 1.00 0.00 ATOM 421 CB ALA A 58 31.799 3.877 79.991 1.00 0.00 ATOM 422 O ALA A 58 29.380 4.456 82.092 1.00 0.00 ATOM 423 C ALA A 58 30.623 4.609 82.077 1.00 0.00 ATOM 424 N ALA A 59 31.410 4.335 83.126 1.00 0.00 ATOM 425 CA ALA A 59 30.888 3.740 84.358 1.00 0.00 ATOM 426 CB ALA A 59 31.963 2.877 84.992 1.00 0.00 ATOM 427 O ALA A 59 29.833 4.297 86.417 1.00 0.00 ATOM 428 C ALA A 59 30.331 4.727 85.389 1.00 0.00 ATOM 429 N SER A 60 30.434 6.034 85.130 1.00 0.00 ATOM 430 CA SER A 60 29.949 7.064 86.079 1.00 0.00 ATOM 431 CB SER A 60 30.407 8.447 85.678 1.00 0.00 ATOM 432 OG SER A 60 29.740 8.827 84.475 1.00 0.00 ATOM 433 O SER A 60 27.821 6.542 85.130 1.00 0.00 ATOM 434 C SER A 60 28.413 7.024 86.081 1.00 0.00 ATOM 435 N PRO A 61 27.773 7.500 87.139 1.00 0.00 ATOM 436 CA PRO A 61 26.299 7.538 87.122 1.00 0.00 ATOM 437 CB PRO A 61 25.958 8.272 88.396 1.00 0.00 ATOM 438 CG PRO A 61 27.128 7.930 89.326 1.00 0.00 ATOM 439 CD PRO A 61 28.323 7.989 88.428 1.00 0.00 ATOM 440 O PRO A 61 24.716 7.830 85.349 1.00 0.00 ATOM 441 C PRO A 61 25.726 8.264 85.916 1.00 0.00 ATOM 442 N THR A 62 26.370 9.360 85.521 1.00 0.00 ATOM 443 CA THR A 62 25.957 10.107 84.339 1.00 0.00 ATOM 444 CB THR A 62 26.702 11.466 84.225 1.00 0.00 ATOM 445 CG2 THR A 62 26.318 12.176 82.926 1.00 0.00 ATOM 446 OG1 THR A 62 26.342 12.293 85.344 1.00 0.00 ATOM 447 O THR A 62 25.180 9.172 82.312 1.00 0.00 ATOM 448 C THR A 62 26.125 9.291 83.110 1.00 0.00 ATOM 449 N GLY A 63 27.308 8.685 82.940 1.00 0.00 ATOM 450 CA GLY A 63 27.558 7.833 81.776 1.00 0.00 ATOM 451 O GLY A 63 26.108 6.376 80.552 1.00 0.00 ATOM 452 C GLY A 63 26.576 6.672 81.633 1.00 0.00 ATOM 453 N ARG A 64 26.285 6.011 82.739 1.00 0.00 ATOM 454 CA ARG A 64 25.330 4.910 82.764 1.00 0.00 ATOM 455 CB ARG A 64 25.394 4.158 84.101 1.00 0.00 ATOM 456 CG ARG A 64 26.772 3.492 84.289 1.00 0.00 ATOM 457 CD ARG A 64 26.886 2.581 85.529 1.00 0.00 ATOM 458 NE ARG A 64 27.135 3.322 86.746 1.00 0.00 ATOM 459 CZ ARG A 64 26.204 3.659 87.630 1.00 0.00 ATOM 460 NH1 ARG A 64 24.931 3.276 87.467 1.00 0.00 ATOM 461 NH2 ARG A 64 26.566 4.333 88.718 1.00 0.00 ATOM 462 O ARG A 64 23.208 4.724 81.718 1.00 0.00 ATOM 463 C ARG A 64 23.920 5.375 82.464 1.00 0.00 ATOM 464 N ASN A 65 23.500 6.490 83.039 1.00 0.00 ATOM 465 CA ASN A 65 22.148 7.002 82.753 1.00 0.00 ATOM 466 CB ASN A 65 21.709 8.144 83.685 1.00 0.00 ATOM 467 CG ASN A 65 21.569 7.702 85.121 1.00 0.00 ATOM 468 ND2 ASN A 65 21.476 8.647 86.048 1.00 0.00 ATOM 469 OD1 ASN A 65 21.565 6.534 85.389 1.00 0.00 ATOM 470 O ASN A 65 21.032 7.097 80.652 1.00 0.00 ATOM 471 C ASN A 65 22.031 7.419 81.299 1.00 0.00 ATOM 472 N LEU A 66 23.060 8.076 80.766 1.00 0.00 ATOM 473 CA LEU A 66 23.043 8.469 79.385 1.00 0.00 ATOM 474 CB LEU A 66 24.204 9.408 79.039 1.00 0.00 ATOM 475 CG LEU A 66 24.080 10.808 79.675 1.00 0.00 ATOM 476 CD1 LEU A 66 25.315 11.657 79.393 1.00 0.00 ATOM 477 CD2 LEU A 66 22.806 11.502 79.221 1.00 0.00 ATOM 478 O LEU A 66 22.181 7.264 77.465 1.00 0.00 ATOM 479 C LEU A 66 22.970 7.264 78.404 1.00 0.00 ATOM 480 N SER A 67 23.785 6.258 78.666 1.00 0.00 ATOM 481 CA SER A 67 23.830 5.045 77.870 1.00 0.00 ATOM 482 CB SER A 67 24.913 4.089 78.383 1.00 0.00 ATOM 483 OG SER A 67 26.176 4.621 78.080 1.00 0.00 ATOM 484 O SER A 67 22.084 3.791 76.869 1.00 0.00 ATOM 485 C SER A 67 22.536 4.306 77.907 1.00 0.00 ATOM 486 N GLU A 68 21.939 4.216 79.089 1.00 0.00 ATOM 487 CA GLU A 68 20.777 3.348 79.284 1.00 0.00 ATOM 488 CB GLU A 68 20.662 2.891 80.742 1.00 0.00 ATOM 489 CG GLU A 68 21.840 2.026 81.219 1.00 0.00 ATOM 490 O GLU A 68 18.619 3.396 78.388 1.00 0.00 ATOM 491 C GLU A 68 19.519 4.041 78.877 1.00 0.00 ATOM 492 N THR A 69 19.438 5.363 79.047 1.00 0.00 ATOM 493 CA THR A 69 18.155 6.066 78.834 1.00 0.00 ATOM 494 CB THR A 69 17.711 6.862 80.130 1.00 0.00 ATOM 495 CG2 THR A 69 17.890 6.032 81.389 1.00 0.00 ATOM 496 OG1 THR A 69 18.476 8.077 80.264 1.00 0.00 ATOM 497 O THR A 69 17.171 7.345 77.094 1.00 0.00 ATOM 498 C THR A 69 18.188 7.007 77.629 1.00 0.00 ATOM 499 N GLY A 70 19.363 7.495 77.250 1.00 0.00 ATOM 500 CA GLY A 70 19.472 8.460 76.215 1.00 0.00 ATOM 501 O GLY A 70 18.648 10.568 75.510 1.00 0.00 ATOM 502 C GLY A 70 18.807 9.819 76.445 1.00 0.00 ATOM 503 N ARG A 71 18.419 10.158 77.662 1.00 0.00 ATOM 504 CA ARG A 71 17.721 11.436 77.882 1.00 0.00 ATOM 505 CB ARG A 71 16.324 11.188 78.436 1.00 0.00 ATOM 506 CG ARG A 71 15.386 10.547 77.408 1.00 0.00 ATOM 507 CD ARG A 71 14.080 10.220 78.067 1.00 0.00 ATOM 508 NE ARG A 71 13.105 9.608 77.141 1.00 0.00 ATOM 509 O ARG A 71 19.144 11.731 79.756 1.00 0.00 ATOM 510 C ARG A 71 18.519 12.278 78.847 1.00 0.00 ATOM 511 N VAL A 72 18.479 13.596 78.654 1.00 0.00 ATOM 512 CA VAL A 72 19.322 14.529 79.423 1.00 0.00 ATOM 513 CB VAL A 72 20.775 14.587 78.894 1.00 0.00 ATOM 514 CG1 VAL A 72 20.868 15.160 77.503 1.00 0.00 ATOM 515 CG2 VAL A 72 21.691 15.293 79.831 1.00 0.00 ATOM 516 O VAL A 72 18.009 16.300 78.485 1.00 0.00 ATOM 517 C VAL A 72 18.656 15.892 79.448 1.00 0.00 ATOM 518 N ARG A 73 18.856 16.595 80.561 1.00 0.00 ATOM 519 CA ARG A 73 18.562 18.009 80.647 1.00 0.00 ATOM 520 CB ARG A 73 17.451 18.298 81.664 1.00 0.00 ATOM 521 CG ARG A 73 16.229 17.441 81.577 1.00 0.00 ATOM 522 CD ARG A 73 15.479 17.803 80.358 1.00 0.00 ATOM 523 NE ARG A 73 14.298 16.951 80.172 1.00 0.00 ATOM 524 CZ ARG A 73 13.038 17.327 80.382 1.00 0.00 ATOM 525 NH1 ARG A 73 12.733 18.535 80.765 1.00 0.00 ATOM 526 NH2 ARG A 73 12.056 16.483 80.146 1.00 0.00 ATOM 527 O ARG A 73 20.671 18.299 81.848 1.00 0.00 ATOM 528 C ARG A 73 19.852 18.774 81.040 1.00 0.00 ATOM 529 N LEU A 74 20.035 19.914 80.421 1.00 0.00 ATOM 530 CA LEU A 74 21.188 20.819 80.674 1.00 0.00 ATOM 531 CB LEU A 74 22.021 21.034 79.404 1.00 0.00 ATOM 532 CG LEU A 74 22.484 19.802 78.599 1.00 0.00 ATOM 533 CD1 LEU A 74 23.184 20.280 77.310 1.00 0.00 ATOM 534 CD2 LEU A 74 23.400 18.975 79.441 1.00 0.00 ATOM 535 O LEU A 74 19.811 22.769 80.614 1.00 0.00 ATOM 536 C LEU A 74 20.705 22.160 81.199 1.00 0.00 ATOM 537 N GLY A 75 21.290 22.590 82.321 1.00 0.00 ATOM 538 CA GLY A 75 21.104 23.922 82.923 1.00 0.00 ATOM 539 O GLY A 75 23.453 24.324 83.216 1.00 0.00 ATOM 540 C GLY A 75 22.387 24.714 82.724 1.00 0.00 ATOM 541 N ILE A 76 22.296 25.780 81.942 1.00 0.00 ATOM 542 CA ILE A 76 23.459 26.570 81.547 1.00 0.00 ATOM 543 CB ILE A 76 23.794 26.431 80.049 1.00 0.00 ATOM 544 CG1 ILE A 76 24.250 24.983 79.785 1.00 0.00 ATOM 545 CG2 ILE A 76 24.886 27.435 79.640 1.00 0.00 ATOM 546 CD1 ILE A 76 24.282 24.607 78.330 1.00 0.00 ATOM 547 O ILE A 76 22.088 28.563 81.686 1.00 0.00 ATOM 548 C ILE A 76 23.195 28.025 81.864 1.00 0.00 ATOM 549 N GLY A 77 24.232 28.638 82.398 1.00 0.00 ATOM 550 CA GLY A 77 24.269 30.055 82.598 1.00 0.00 ATOM 551 O GLY A 77 23.843 29.670 84.912 1.00 0.00 ATOM 552 C GLY A 77 24.190 30.480 84.032 1.00 0.00 ATOM 553 N PRO A 78 24.517 31.762 84.279 1.00 0.00 ATOM 554 CA PRO A 78 24.604 32.293 85.593 1.00 0.00 ATOM 555 CB PRO A 78 25.442 33.576 85.393 1.00 0.00 ATOM 556 CG PRO A 78 24.943 34.098 84.133 1.00 0.00 ATOM 557 CD PRO A 78 24.794 32.817 83.274 1.00 0.00 ATOM 558 O PRO A 78 22.210 32.436 85.332 1.00 0.00 ATOM 559 C PRO A 78 23.234 32.644 86.059 1.00 0.00 ATOM 560 N THR A 79 23.216 33.161 87.277 1.00 0.00 ATOM 561 CA THR A 79 21.985 33.456 87.997 1.00 0.00 ATOM 562 CB THR A 79 22.289 34.169 89.334 1.00 0.00 ATOM 563 CG2 THR A 79 20.987 34.477 90.062 1.00 0.00 ATOM 564 OG1 THR A 79 23.161 33.348 90.142 1.00 0.00 ATOM 565 O THR A 79 21.516 35.464 86.701 1.00 0.00 ATOM 566 C THR A 79 21.073 34.379 87.165 1.00 0.00 ATOM 567 N ARG A 80 19.821 33.954 86.968 1.00 0.00 ATOM 568 CA ARG A 80 18.837 34.810 86.307 1.00 0.00 ATOM 569 CB ARG A 80 18.515 36.080 87.146 1.00 0.00 ATOM 570 CG ARG A 80 17.842 35.852 88.533 1.00 0.00 ATOM 571 CD ARG A 80 16.367 35.465 88.442 1.00 0.00 ATOM 572 NE ARG A 80 15.889 34.854 89.695 1.00 0.00 ATOM 573 CZ ARG A 80 15.263 35.493 90.692 1.00 0.00 ATOM 574 NH1 ARG A 80 14.993 36.798 90.619 1.00 0.00 ATOM 575 NH2 ARG A 80 14.885 34.811 91.780 1.00 0.00 ATOM 576 O ARG A 80 18.824 36.270 84.411 1.00 0.00 ATOM 577 C ARG A 80 19.261 35.231 84.888 1.00 0.00 ATOM 578 N ASP A 81 20.108 34.418 84.246 1.00 0.00 ATOM 579 CA ASP A 81 20.324 34.446 82.810 1.00 0.00 ATOM 580 CB ASP A 81 21.478 35.369 82.457 1.00 0.00 ATOM 581 CG ASP A 81 21.571 35.626 80.972 1.00 0.00 ATOM 582 OD1 ASP A 81 20.647 35.198 80.197 1.00 0.00 ATOM 583 OD2 ASP A 81 22.591 36.230 80.575 1.00 0.00 ATOM 584 O ASP A 81 21.641 32.553 81.962 1.00 0.00 ATOM 585 C ASP A 81 20.547 32.998 82.324 1.00 0.00 ATOM 586 N LEU A 82 19.475 32.234 82.386 1.00 0.00 ATOM 587 CA LEU A 82 19.559 30.786 82.258 1.00 0.00 ATOM 588 CB LEU A 82 18.688 30.099 83.334 1.00 0.00 ATOM 589 CG LEU A 82 19.010 30.403 84.809 1.00 0.00 ATOM 590 CD1 LEU A 82 17.917 29.829 85.683 1.00 0.00 ATOM 591 CD2 LEU A 82 20.355 29.951 85.311 1.00 0.00 ATOM 592 O LEU A 82 18.292 30.995 80.220 1.00 0.00 ATOM 593 C LEU A 82 19.133 30.330 80.908 1.00 0.00 ATOM 594 N VAL A 83 19.732 29.203 80.521 1.00 0.00 ATOM 595 CA VAL A 83 19.335 28.413 79.386 1.00 0.00 ATOM 596 CB VAL A 83 20.416 28.440 78.298 1.00 0.00 ATOM 597 CG1 VAL A 83 19.931 27.686 77.085 1.00 0.00 ATOM 598 CG2 VAL A 83 20.790 29.876 77.923 1.00 0.00 ATOM 599 O VAL A 83 19.900 26.336 80.554 1.00 0.00 ATOM 600 C VAL A 83 19.087 26.948 79.851 1.00 0.00 ATOM 601 N LEU A 84 17.914 26.439 79.507 1.00 0.00 ATOM 602 CA LEU A 84 17.499 25.109 79.863 1.00 0.00 ATOM 603 CB LEU A 84 16.240 25.209 80.733 1.00 0.00 ATOM 604 CG LEU A 84 15.648 23.911 81.277 1.00 0.00 ATOM 605 CD1 LEU A 84 16.605 23.093 82.132 1.00 0.00 ATOM 606 CD2 LEU A 84 14.428 24.327 82.083 1.00 0.00 ATOM 607 O LEU A 84 16.426 24.654 77.759 1.00 0.00 ATOM 608 C LEU A 84 17.252 24.287 78.599 1.00 0.00 ATOM 609 N VAL A 85 17.991 23.189 78.465 1.00 0.00 ATOM 610 CA VAL A 85 17.953 22.373 77.268 1.00 0.00 ATOM 611 CB VAL A 85 19.355 22.254 76.623 1.00 0.00 ATOM 612 CG1 VAL A 85 19.287 21.458 75.326 1.00 0.00 ATOM 613 CG2 VAL A 85 19.986 23.618 76.382 1.00 0.00 ATOM 614 O VAL A 85 17.833 20.358 78.573 1.00 0.00 ATOM 615 C VAL A 85 17.402 20.984 77.599 1.00 0.00 ATOM 616 N GLU A 86 16.451 20.499 76.789 1.00 0.00 ATOM 617 CA GLU A 86 16.053 19.091 76.829 1.00 0.00 ATOM 618 CB GLU A 86 14.535 18.876 76.836 1.00 0.00 ATOM 619 CG GLU A 86 13.740 19.760 77.776 1.00 0.00 ATOM 620 CD GLU A 86 12.277 19.325 77.844 1.00 0.00 ATOM 621 OE1 GLU A 86 12.012 18.116 77.696 1.00 0.00 ATOM 622 OE2 GLU A 86 11.402 20.173 78.067 1.00 0.00 ATOM 623 O GLU A 86 16.391 18.934 74.444 1.00 0.00 ATOM 624 C GLU A 86 16.599 18.440 75.580 1.00 0.00 ATOM 625 N GLY A 87 17.249 17.299 75.770 1.00 0.00 ATOM 626 CA GLY A 87 17.927 16.630 74.654 1.00 0.00 ATOM 627 O GLY A 87 17.694 14.499 75.780 1.00 0.00 ATOM 628 C GLY A 87 17.990 15.117 74.750 1.00 0.00 ATOM 629 N THR A 88 18.407 14.513 73.649 1.00 0.00 ATOM 630 CA THR A 88 18.607 13.085 73.565 1.00 0.00 ATOM 631 CB THR A 88 17.797 12.460 72.386 1.00 0.00 ATOM 632 CG2 THR A 88 16.299 12.529 72.644 1.00 0.00 ATOM 633 OG1 THR A 88 18.119 13.131 71.182 1.00 0.00 ATOM 634 O THR A 88 20.745 13.739 72.680 1.00 0.00 ATOM 635 C THR A 88 20.111 12.900 73.337 1.00 0.00 ATOM 636 N ALA A 89 20.672 11.840 73.907 1.00 0.00 ATOM 637 CA ALA A 89 22.097 11.613 73.924 1.00 0.00 ATOM 638 CB ALA A 89 22.576 11.720 75.379 1.00 0.00 ATOM 639 O ALA A 89 21.868 9.242 73.625 1.00 0.00 ATOM 640 C ALA A 89 22.497 10.267 73.327 1.00 0.00 ATOM 641 N LEU A 90 23.553 10.265 72.513 1.00 0.00 ATOM 642 CA LEU A 90 24.118 9.053 71.937 1.00 0.00 ATOM 643 CB LEU A 90 23.821 8.946 70.431 1.00 0.00 ATOM 644 CG LEU A 90 22.340 8.749 70.110 1.00 0.00 ATOM 645 CD1 LEU A 90 22.117 8.904 68.569 1.00 0.00 ATOM 646 CD2 LEU A 90 21.825 7.424 70.603 1.00 0.00 ATOM 647 O LEU A 90 26.310 10.009 72.207 1.00 0.00 ATOM 648 C LEU A 90 25.612 8.978 72.204 1.00 0.00 ATOM 649 N PRO A 91 26.122 7.765 72.455 1.00 0.00 ATOM 650 CA PRO A 91 27.538 7.635 72.828 1.00 0.00 ATOM 651 CB PRO A 91 27.573 6.258 73.514 1.00 0.00 ATOM 652 CG PRO A 91 26.486 5.447 72.746 1.00 0.00 ATOM 653 CD PRO A 91 25.406 6.469 72.447 1.00 0.00 ATOM 654 O PRO A 91 28.143 7.137 70.568 1.00 0.00 ATOM 655 C PRO A 91 28.487 7.630 71.621 1.00 0.00 ATOM 656 N LEU A 92 29.689 8.153 71.795 1.00 0.00 ATOM 657 CA LEU A 92 30.762 8.038 70.790 1.00 0.00 ATOM 658 CB LEU A 92 31.034 9.392 70.106 1.00 0.00 ATOM 659 CG LEU A 92 29.902 9.975 69.271 1.00 0.00 ATOM 660 CD1 LEU A 92 30.139 11.425 68.966 1.00 0.00 ATOM 661 CD2 LEU A 92 29.714 9.151 67.983 1.00 0.00 ATOM 662 O LEU A 92 32.340 8.156 72.615 1.00 0.00 ATOM 663 C LEU A 92 31.975 7.569 71.575 1.00 0.00 ATOM 664 N GLU A 93 32.588 6.490 71.116 1.00 0.00 ATOM 665 CA GLU A 93 33.864 6.077 71.636 1.00 0.00 ATOM 666 CB GLU A 93 34.277 4.738 71.035 1.00 0.00 ATOM 667 CG GLU A 93 33.267 3.601 71.212 1.00 0.00 ATOM 668 CD GLU A 93 33.347 2.960 72.569 1.00 0.00 ATOM 669 OE1 GLU A 93 34.357 3.182 73.283 1.00 0.00 ATOM 670 OE2 GLU A 93 32.396 2.241 72.927 1.00 0.00 ATOM 671 O GLU A 93 34.906 7.662 70.167 1.00 0.00 ATOM 672 C GLU A 93 34.947 7.099 71.255 1.00 0.00 ATOM 673 N PRO A 94 35.932 7.316 72.139 1.00 0.00 ATOM 674 CA PRO A 94 37.072 8.200 71.881 1.00 0.00 ATOM 675 CB PRO A 94 37.983 7.923 73.059 1.00 0.00 ATOM 676 CG PRO A 94 37.014 7.677 74.181 1.00 0.00 ATOM 677 CD PRO A 94 35.985 6.793 73.516 1.00 0.00 ATOM 678 O PRO A 94 38.108 8.899 69.875 1.00 0.00 ATOM 679 C PRO A 94 37.771 7.944 70.548 1.00 0.00 ATOM 680 N ALA A 95 37.907 6.683 70.139 1.00 0.00 ATOM 681 CA ALA A 95 38.435 6.368 68.811 1.00 0.00 ATOM 682 CB ALA A 95 38.998 4.949 68.791 1.00 0.00 ATOM 683 O ALA A 95 37.848 6.420 66.497 1.00 0.00 ATOM 684 C ALA A 95 37.452 6.566 67.646 1.00 0.00 ATOM 685 N GLY A 96 36.193 6.893 67.907 1.00 0.00 ATOM 686 CA GLY A 96 35.197 7.041 66.847 1.00 0.00 ATOM 687 O GLY A 96 33.500 8.640 66.280 1.00 0.00 ATOM 688 C GLY A 96 34.640 8.442 66.722 1.00 0.00 ATOM 689 N LEU A 97 35.412 9.440 67.157 1.00 0.00 ATOM 690 CA LEU A 97 34.971 10.849 67.028 1.00 0.00 ATOM 691 CB LEU A 97 35.823 11.789 67.879 1.00 0.00 ATOM 692 CG LEU A 97 35.634 11.661 69.382 1.00 0.00 ATOM 693 CD1 LEU A 97 36.646 12.560 70.074 1.00 0.00 ATOM 694 CD2 LEU A 97 34.221 12.079 69.723 1.00 0.00 ATOM 695 O LEU A 97 36.037 10.805 64.947 1.00 0.00 ATOM 696 C LEU A 97 35.149 11.279 65.592 1.00 0.00 ATOM 697 N PRO A 98 34.298 12.169 65.095 1.00 0.00 ATOM 698 CA PRO A 98 34.617 12.741 63.764 1.00 0.00 ATOM 699 CB PRO A 98 33.519 13.800 63.547 1.00 0.00 ATOM 700 CG PRO A 98 32.429 13.500 64.546 1.00 0.00 ATOM 701 CD PRO A 98 33.033 12.661 65.664 1.00 0.00 ATOM 702 O PRO A 98 36.433 13.922 64.826 1.00 0.00 ATOM 703 C PRO A 98 35.976 13.459 63.769 1.00 0.00 ATOM 704 N ASP A 99 36.580 13.590 62.606 1.00 0.00 ATOM 705 CA ASP A 99 37.836 14.313 62.459 1.00 0.00 ATOM 706 CB ASP A 99 38.206 14.452 60.972 1.00 0.00 ATOM 707 CG ASP A 99 38.423 13.100 60.284 1.00 0.00 ATOM 708 OD1 ASP A 99 38.626 12.104 60.988 1.00 0.00 ATOM 709 OD2 ASP A 99 38.408 13.012 59.030 1.00 0.00 ATOM 710 O ASP A 99 36.832 16.450 62.938 1.00 0.00 ATOM 711 C ASP A 99 37.781 15.679 63.119 1.00 0.00 ATOM 712 N GLY A 100 38.763 15.962 63.958 1.00 0.00 ATOM 713 CA GLY A 100 38.929 17.314 64.493 1.00 0.00 ATOM 714 O GLY A 100 38.497 18.465 66.566 1.00 0.00 ATOM 715 C GLY A 100 38.158 17.569 65.792 1.00 0.00 ATOM 716 N VAL A 101 37.152 16.762 66.076 1.00 0.00 ATOM 717 CA VAL A 101 36.315 17.019 67.220 1.00 0.00 ATOM 718 CB VAL A 101 35.012 16.175 67.139 1.00 0.00 ATOM 719 CG1 VAL A 101 34.280 16.259 68.435 1.00 0.00 ATOM 720 CG2 VAL A 101 34.137 16.660 65.931 1.00 0.00 ATOM 721 O VAL A 101 36.758 17.623 69.525 1.00 0.00 ATOM 722 C VAL A 101 36.995 16.825 68.593 1.00 0.00 ATOM 723 N GLY A 102 37.815 15.790 68.721 1.00 0.00 ATOM 724 CA GLY A 102 38.524 15.521 69.965 1.00 0.00 ATOM 725 O GLY A 102 39.441 17.134 71.507 1.00 0.00 ATOM 726 C GLY A 102 39.432 16.695 70.343 1.00 0.00 ATOM 727 N ASP A 103 40.169 17.208 69.355 1.00 0.00 ATOM 728 CA ASP A 103 41.008 18.383 69.542 1.00 0.00 ATOM 729 CB ASP A 103 41.790 18.752 68.280 1.00 0.00 ATOM 730 CG ASP A 103 42.940 17.799 67.983 1.00 0.00 ATOM 731 OD1 ASP A 103 43.277 16.936 68.822 1.00 0.00 ATOM 732 OD2 ASP A 103 43.542 17.949 66.888 1.00 0.00 ATOM 733 O ASP A 103 40.601 20.309 70.922 1.00 0.00 ATOM 734 C ASP A 103 40.212 19.615 69.974 1.00 0.00 ATOM 735 N THR A 104 39.096 19.872 69.313 1.00 0.00 ATOM 736 CA THR A 104 38.260 20.998 69.651 1.00 0.00 ATOM 737 CB THR A 104 37.122 21.198 68.645 1.00 0.00 ATOM 738 CG2 THR A 104 36.350 22.520 68.929 1.00 0.00 ATOM 739 OG1 THR A 104 37.685 21.281 67.321 1.00 0.00 ATOM 740 O THR A 104 37.739 21.836 71.847 1.00 0.00 ATOM 741 C THR A 104 37.738 20.854 71.082 1.00 0.00 ATOM 742 N PHE A 105 37.268 19.654 71.432 1.00 0.00 ATOM 743 CA PHE A 105 36.749 19.395 72.741 1.00 0.00 ATOM 744 CB PHE A 105 36.277 17.943 72.897 1.00 0.00 ATOM 745 CG PHE A 105 35.711 17.635 74.254 1.00 0.00 ATOM 746 CD1 PHE A 105 34.385 17.848 74.517 1.00 0.00 ATOM 747 CD2 PHE A 105 36.510 17.071 75.247 1.00 0.00 ATOM 748 CE1 PHE A 105 33.841 17.526 75.776 1.00 0.00 ATOM 749 CE2 PHE A 105 35.991 16.744 76.488 1.00 0.00 ATOM 750 CZ PHE A 105 34.663 16.987 76.755 1.00 0.00 ATOM 751 O PHE A 105 37.530 20.355 74.839 1.00 0.00 ATOM 752 C PHE A 105 37.834 19.684 73.812 1.00 0.00 ATOM 753 N ALA A 106 39.028 19.129 73.603 1.00 0.00 ATOM 754 CA ALA A 106 40.161 19.297 74.531 1.00 0.00 ATOM 755 CB ALA A 106 41.362 18.502 74.101 1.00 0.00 ATOM 756 O ALA A 106 40.857 21.147 75.848 1.00 0.00 ATOM 757 C ALA A 106 40.543 20.752 74.719 1.00 0.00 ATOM 758 N GLU A 107 40.503 21.544 73.637 1.00 0.00 ATOM 759 CA GLU A 107 40.817 22.971 73.699 1.00 0.00 ATOM 760 CB GLU A 107 40.932 23.624 72.306 1.00 0.00 ATOM 761 CG GLU A 107 42.152 23.234 71.494 1.00 0.00 ATOM 762 CD GLU A 107 41.992 23.432 69.941 1.00 0.00 ATOM 763 OE1 GLU A 107 40.952 23.987 69.421 1.00 0.00 ATOM 764 OE2 GLU A 107 42.925 22.963 69.242 1.00 0.00 ATOM 765 O GLU A 107 40.086 24.672 75.153 1.00 0.00 ATOM 766 C GLU A 107 39.759 23.736 74.449 1.00 0.00 ATOM 767 N LYS A 108 38.482 23.395 74.271 1.00 0.00 ATOM 768 CA LYS A 108 37.435 24.065 74.985 1.00 0.00 ATOM 769 CB LYS A 108 36.067 23.749 74.366 1.00 0.00 ATOM 770 CG LYS A 108 34.840 24.257 75.092 1.00 0.00 ATOM 771 CD LYS A 108 34.566 25.743 74.912 1.00 0.00 ATOM 772 CE LYS A 108 33.391 26.218 75.836 1.00 0.00 ATOM 773 NZ LYS A 108 32.079 25.318 75.872 1.00 0.00 ATOM 774 O LYS A 108 37.124 24.652 77.315 1.00 0.00 ATOM 775 C LYS A 108 37.418 23.752 76.503 1.00 0.00 ATOM 776 N THR A 109 37.678 22.498 76.874 1.00 0.00 ATOM 777 CA THR A 109 37.389 22.036 78.218 1.00 0.00 ATOM 778 CB THR A 109 36.661 20.660 78.245 1.00 0.00 ATOM 779 CG2 THR A 109 35.307 20.700 77.439 1.00 0.00 ATOM 780 OG1 THR A 109 37.534 19.631 77.760 1.00 0.00 ATOM 781 O THR A 109 38.486 21.746 80.268 1.00 0.00 ATOM 782 C THR A 109 38.614 21.857 79.078 1.00 0.00 ATOM 783 N GLY A 110 39.785 21.705 78.477 1.00 0.00 ATOM 784 CA GLY A 110 40.975 21.422 79.240 1.00 0.00 ATOM 785 O GLY A 110 42.240 19.722 80.209 1.00 0.00 ATOM 786 C GLY A 110 41.286 19.997 79.520 1.00 0.00 ATOM 787 N PHE A 111 40.515 19.056 79.014 1.00 0.00 ATOM 788 CA PHE A 111 40.908 17.663 79.200 1.00 0.00 ATOM 789 CB PHE A 111 40.316 17.041 80.486 1.00 0.00 ATOM 790 CG PHE A 111 38.846 16.747 80.419 1.00 0.00 ATOM 791 CD1 PHE A 111 37.917 17.761 80.540 1.00 0.00 ATOM 792 CD2 PHE A 111 38.410 15.456 80.265 1.00 0.00 ATOM 793 CE1 PHE A 111 36.542 17.471 80.494 1.00 0.00 ATOM 794 CE2 PHE A 111 37.065 15.162 80.210 1.00 0.00 ATOM 795 CZ PHE A 111 36.132 16.171 80.323 1.00 0.00 ATOM 796 O PHE A 111 39.791 17.251 77.147 1.00 0.00 ATOM 797 C PHE A 111 40.613 16.852 77.959 1.00 0.00 ATOM 798 N ASP A 112 41.342 15.758 77.799 1.00 0.00 ATOM 799 CA ASP A 112 41.296 14.961 76.608 1.00 0.00 ATOM 800 CB ASP A 112 42.536 15.232 75.772 1.00 0.00 ATOM 801 CG ASP A 112 42.498 14.569 74.435 1.00 0.00 ATOM 802 OD1 ASP A 112 41.538 13.824 74.138 1.00 0.00 ATOM 803 OD2 ASP A 112 43.457 14.803 73.667 1.00 0.00 ATOM 804 O ASP A 112 42.137 12.777 77.220 1.00 0.00 ATOM 805 C ASP A 112 41.146 13.473 76.962 1.00 0.00 ATOM 806 N PRO A 113 39.888 12.982 76.978 1.00 0.00 ATOM 807 CA PRO A 113 39.536 11.560 77.199 1.00 0.00 ATOM 808 CB PRO A 113 38.042 11.516 76.809 1.00 0.00 ATOM 809 CG PRO A 113 37.564 12.861 77.216 1.00 0.00 ATOM 810 CD PRO A 113 38.665 13.809 76.834 1.00 0.00 ATOM 811 O PRO A 113 40.573 9.442 76.894 1.00 0.00 ATOM 812 C PRO A 113 40.315 10.543 76.393 1.00 0.00 ATOM 813 N ARG A 114 40.696 10.906 75.170 1.00 0.00 ATOM 814 CA ARG A 114 41.502 10.048 74.323 1.00 0.00 ATOM 815 CB ARG A 114 41.763 10.707 72.950 1.00 0.00 ATOM 816 CG ARG A 114 40.544 11.234 72.225 1.00 0.00 ATOM 817 CD ARG A 114 40.902 12.045 70.999 1.00 0.00 ATOM 818 NE ARG A 114 41.485 13.320 71.369 1.00 0.00 ATOM 819 CZ ARG A 114 41.967 14.197 70.506 1.00 0.00 ATOM 820 NH1 ARG A 114 41.897 13.993 69.188 1.00 0.00 ATOM 821 NH2 ARG A 114 42.506 15.299 70.963 1.00 0.00 ATOM 822 O ARG A 114 43.355 8.587 74.741 1.00 0.00 ATOM 823 C ARG A 114 42.845 9.667 74.983 1.00 0.00 ATOM 824 N ARG A 115 43.379 10.540 75.827 1.00 0.00 ATOM 825 CA ARG A 115 44.667 10.341 76.494 1.00 0.00 ATOM 826 CB ARG A 115 45.422 11.687 76.533 1.00 0.00 ATOM 827 CG ARG A 115 45.708 12.315 75.149 1.00 0.00 ATOM 828 O ARG A 115 45.553 9.845 78.661 1.00 0.00 ATOM 829 C ARG A 115 44.567 9.811 77.943 1.00 0.00 ATOM 830 N LEU A 116 43.394 9.364 78.395 1.00 0.00 ATOM 831 CA LEU A 116 43.241 8.945 79.785 1.00 0.00 ATOM 832 CB LEU A 116 42.057 9.663 80.456 1.00 0.00 ATOM 833 CG LEU A 116 42.164 11.173 80.528 1.00 0.00 ATOM 834 CD1 LEU A 116 40.850 11.825 81.022 1.00 0.00 ATOM 835 CD2 LEU A 116 43.324 11.616 81.372 1.00 0.00 ATOM 836 O LEU A 116 42.483 6.856 78.935 1.00 0.00 ATOM 837 C LEU A 116 43.051 7.449 79.843 1.00 0.00 ATOM 838 N THR A 117 43.491 6.841 80.933 1.00 0.00 ATOM 839 CA THR A 117 43.444 5.384 81.074 1.00 0.00 ATOM 840 CB THR A 117 44.441 4.887 82.164 1.00 0.00 ATOM 841 CG2 THR A 117 45.827 4.900 81.623 1.00 0.00 ATOM 842 OG1 THR A 117 44.404 5.775 83.280 1.00 0.00 ATOM 843 O THR A 117 41.595 3.880 80.863 1.00 0.00 ATOM 844 C THR A 117 42.041 4.903 81.389 1.00 0.00 ATOM 845 N THR A 118 41.347 5.646 82.234 1.00 0.00 ATOM 846 CA THR A 118 39.948 5.360 82.533 1.00 0.00 ATOM 847 CB THR A 118 39.354 6.406 83.454 1.00 0.00 ATOM 848 CG2 THR A 118 37.812 6.198 83.636 1.00 0.00 ATOM 849 OG1 THR A 118 40.016 6.346 84.723 1.00 0.00 ATOM 850 O THR A 118 39.354 6.195 80.348 1.00 0.00 ATOM 851 C THR A 118 39.155 5.341 81.221 1.00 0.00 ATOM 852 N SER A 119 38.261 4.378 81.094 1.00 0.00 ATOM 853 CA SER A 119 37.428 4.267 79.900 1.00 0.00 ATOM 854 CB SER A 119 36.938 2.830 79.794 1.00 0.00 ATOM 855 OG SER A 119 35.969 2.730 78.786 1.00 0.00 ATOM 856 O SER A 119 35.331 5.299 80.683 1.00 0.00 ATOM 857 C SER A 119 36.271 5.343 79.876 1.00 0.00 ATOM 858 N TYR A 120 36.429 6.346 79.005 1.00 0.00 ATOM 859 CA TYR A 120 35.459 7.419 78.799 1.00 0.00 ATOM 860 CB TYR A 120 36.152 8.777 78.532 1.00 0.00 ATOM 861 CG TYR A 120 36.557 9.547 79.760 1.00 0.00 ATOM 862 CD1 TYR A 120 37.591 9.078 80.578 1.00 0.00 ATOM 863 CD2 TYR A 120 35.888 10.699 80.143 1.00 0.00 ATOM 864 CE1 TYR A 120 37.952 9.749 81.738 1.00 0.00 ATOM 865 CE2 TYR A 120 36.231 11.377 81.282 1.00 0.00 ATOM 866 CZ TYR A 120 37.278 10.892 82.080 1.00 0.00 ATOM 867 OH TYR A 120 37.627 11.582 83.190 1.00 0.00 ATOM 868 O TYR A 120 34.965 6.507 76.630 1.00 0.00 ATOM 869 C TYR A 120 34.559 7.140 77.612 1.00 0.00 ATOM 870 N LEU A 121 33.329 7.627 77.707 1.00 0.00 ATOM 871 CA LEU A 121 32.498 7.855 76.539 1.00 0.00 ATOM 872 CB LEU A 121 31.161 7.150 76.700 1.00 0.00 ATOM 873 CG LEU A 121 31.151 5.632 76.538 1.00 0.00 ATOM 874 CD1 LEU A 121 29.740 5.057 77.050 1.00 0.00 ATOM 875 CD2 LEU A 121 31.512 5.260 75.104 1.00 0.00 ATOM 876 O LEU A 121 32.126 10.119 77.308 1.00 0.00 ATOM 877 C LEU A 121 32.265 9.378 76.342 1.00 0.00 ATOM 878 N TYR A 122 32.206 9.798 75.087 1.00 0.00 ATOM 879 CA TYR A 122 31.628 11.086 74.748 1.00 0.00 ATOM 880 CB TYR A 122 32.287 11.658 73.504 1.00 0.00 ATOM 881 CG TYR A 122 33.766 12.026 73.624 1.00 0.00 ATOM 882 CD1 TYR A 122 34.746 11.058 73.564 1.00 0.00 ATOM 883 CD2 TYR A 122 34.173 13.360 73.773 1.00 0.00 ATOM 884 CE1 TYR A 122 36.106 11.399 73.578 1.00 0.00 ATOM 885 CE2 TYR A 122 35.532 13.697 73.813 1.00 0.00 ATOM 886 CZ TYR A 122 36.489 12.704 73.714 1.00 0.00 ATOM 887 OH TYR A 122 37.836 13.023 73.750 1.00 0.00 ATOM 888 O TYR A 122 29.754 9.764 74.060 1.00 0.00 ATOM 889 C TYR A 122 30.143 10.849 74.474 1.00 0.00 ATOM 890 N PHE A 123 29.306 11.805 74.813 1.00 0.00 ATOM 891 CA PHE A 123 27.941 11.782 74.412 1.00 0.00 ATOM 892 CB PHE A 123 27.014 11.691 75.612 1.00 0.00 ATOM 893 CG PHE A 123 27.110 10.385 76.339 1.00 0.00 ATOM 894 CD1 PHE A 123 28.033 10.221 77.352 1.00 0.00 ATOM 895 CD2 PHE A 123 26.316 9.324 75.978 1.00 0.00 ATOM 896 CE1 PHE A 123 28.128 9.001 78.005 1.00 0.00 ATOM 897 CE2 PHE A 123 26.434 8.108 76.609 1.00 0.00 ATOM 898 CZ PHE A 123 27.320 7.976 77.642 1.00 0.00 ATOM 899 O PHE A 123 27.908 14.133 74.067 1.00 0.00 ATOM 900 C PHE A 123 27.630 13.024 73.614 1.00 0.00 ATOM 901 N ARG A 124 27.030 12.820 72.451 1.00 0.00 ATOM 902 CA ARG A 124 26.584 13.892 71.585 1.00 0.00 ATOM 903 CB ARG A 124 26.818 13.531 70.129 1.00 0.00 ATOM 904 CG ARG A 124 26.358 14.625 69.128 1.00 0.00 ATOM 905 CD ARG A 124 27.058 14.538 67.761 1.00 0.00 ATOM 906 NE ARG A 124 26.785 13.251 67.169 1.00 0.00 ATOM 907 CZ ARG A 124 27.499 12.646 66.207 1.00 0.00 ATOM 908 NH1 ARG A 124 28.550 13.198 65.653 1.00 0.00 ATOM 909 NH2 ARG A 124 27.117 11.468 65.785 1.00 0.00 ATOM 910 O ARG A 124 24.319 13.136 71.793 1.00 0.00 ATOM 911 C ARG A 124 25.117 14.094 71.854 1.00 0.00 ATOM 912 N ILE A 125 24.771 15.311 72.259 1.00 0.00 ATOM 913 CA ILE A 125 23.408 15.627 72.720 1.00 0.00 ATOM 914 CB ILE A 125 23.433 16.296 74.109 1.00 0.00 ATOM 915 CG1 ILE A 125 23.972 15.302 75.144 1.00 0.00 ATOM 916 CG2 ILE A 125 22.046 16.816 74.481 1.00 0.00 ATOM 917 CD1 ILE A 125 24.596 15.943 76.367 1.00 0.00 ATOM 918 O ILE A 125 23.290 17.635 71.368 1.00 0.00 ATOM 919 C ILE A 125 22.776 16.523 71.694 1.00 0.00 ATOM 920 N SER A 126 21.667 16.023 71.183 1.00 0.00 ATOM 921 CA SER A 126 20.856 16.703 70.199 1.00 0.00 ATOM 922 CB SER A 126 20.309 15.683 69.210 1.00 0.00 ATOM 923 OG SER A 126 21.397 15.070 68.535 1.00 0.00 ATOM 924 O SER A 126 18.911 16.797 71.529 1.00 0.00 ATOM 925 C SER A 126 19.731 17.426 70.911 1.00 0.00 ATOM 926 N PRO A 127 19.730 18.760 70.868 1.00 0.00 ATOM 927 CA PRO A 127 18.673 19.486 71.575 1.00 0.00 ATOM 928 CB PRO A 127 19.117 20.954 71.494 1.00 0.00 ATOM 929 CG PRO A 127 20.261 21.012 70.634 1.00 0.00 ATOM 930 CD PRO A 127 20.690 19.653 70.213 1.00 0.00 ATOM 931 O PRO A 127 17.195 19.298 69.730 1.00 0.00 ATOM 932 C PRO A 127 17.312 19.340 70.939 1.00 0.00 ATOM 933 N ARG A 128 16.278 19.206 71.746 1.00 0.00 ATOM 934 CA ARG A 128 14.935 19.096 71.234 1.00 0.00 ATOM 935 CB ARG A 128 14.265 17.821 71.770 1.00 0.00 ATOM 936 CG ARG A 128 14.963 16.544 71.328 1.00 0.00 ATOM 937 CD ARG A 128 14.908 16.395 69.841 1.00 0.00 ATOM 938 NE ARG A 128 13.523 16.322 69.378 1.00 0.00 ATOM 939 CZ ARG A 128 13.129 16.407 68.105 1.00 0.00 ATOM 940 NH1 ARG A 128 14.002 16.580 67.135 1.00 0.00 ATOM 941 NH2 ARG A 128 11.842 16.302 67.817 1.00 0.00 ATOM 942 O ARG A 128 13.252 20.800 70.951 1.00 0.00 ATOM 943 C ARG A 128 14.109 20.325 71.672 1.00 0.00 ATOM 944 N ARG A 129 14.347 20.772 72.893 1.00 0.00 ATOM 945 CA ARG A 129 13.664 21.929 73.458 1.00 0.00 ATOM 946 CB ARG A 129 12.597 21.456 74.434 1.00 0.00 ATOM 947 CG ARG A 129 11.656 22.488 74.840 1.00 0.00 ATOM 948 CD ARG A 129 10.626 21.908 75.807 1.00 0.00 ATOM 949 NE ARG A 129 9.702 22.956 76.227 1.00 0.00 ATOM 950 CZ ARG A 129 8.970 22.929 77.337 1.00 0.00 ATOM 951 NH1 ARG A 129 9.072 21.933 78.218 1.00 0.00 ATOM 952 NH2 ARG A 129 8.145 23.926 77.581 1.00 0.00 ATOM 953 O ARG A 129 15.581 22.283 74.867 1.00 0.00 ATOM 954 C ARG A 129 14.681 22.792 74.183 1.00 0.00 ATOM 955 N VAL A 130 14.530 24.090 74.025 1.00 0.00 ATOM 956 CA VAL A 130 15.337 25.094 74.715 1.00 0.00 ATOM 957 CB VAL A 130 16.356 25.748 73.781 1.00 0.00 ATOM 958 CG1 VAL A 130 17.196 26.829 74.530 1.00 0.00 ATOM 959 CG2 VAL A 130 17.251 24.682 73.101 1.00 0.00 ATOM 960 O VAL A 130 13.558 26.762 74.572 1.00 0.00 ATOM 961 C VAL A 130 14.451 26.201 75.268 1.00 0.00 ATOM 962 N GLN A 131 14.686 26.512 76.530 1.00 0.00 ATOM 963 CA GLN A 131 14.053 27.646 77.151 1.00 0.00 ATOM 964 CB GLN A 131 13.117 27.181 78.236 1.00 0.00 ATOM 965 CG GLN A 131 11.971 26.301 77.696 1.00 0.00 ATOM 966 CD GLN A 131 11.244 25.694 78.836 1.00 0.00 ATOM 967 OE1 GLN A 131 10.315 26.296 79.349 1.00 0.00 ATOM 968 NE2 GLN A 131 11.717 24.529 79.312 1.00 0.00 ATOM 969 O GLN A 131 16.208 28.106 78.115 1.00 0.00 ATOM 970 C GLN A 131 15.140 28.571 77.683 1.00 0.00 ATOM 971 N ALA A 132 14.890 29.876 77.600 1.00 0.00 ATOM 972 CA ALA A 132 15.882 30.890 78.046 1.00 0.00 ATOM 973 CB ALA A 132 16.720 31.367 76.890 1.00 0.00 ATOM 974 O ALA A 132 14.274 32.589 78.024 1.00 0.00 ATOM 975 C ALA A 132 15.190 32.031 78.647 1.00 0.00 ATOM 976 N TRP A 133 15.548 32.378 79.860 1.00 0.00 ATOM 977 CA TRP A 133 15.002 33.609 80.411 1.00 0.00 ATOM 978 CB TRP A 133 13.577 33.359 80.932 1.00 0.00 ATOM 979 CG TRP A 133 13.425 32.437 82.161 1.00 0.00 ATOM 980 CD1 TRP A 133 13.126 32.830 83.440 1.00 0.00 ATOM 981 CD2 TRP A 133 13.508 30.997 82.203 1.00 0.00 ATOM 982 CE2 TRP A 133 13.249 30.597 83.537 1.00 0.00 ATOM 983 CE3 TRP A 133 13.752 30.006 81.242 1.00 0.00 ATOM 984 NE1 TRP A 133 13.025 31.727 84.264 1.00 0.00 ATOM 985 CZ2 TRP A 133 13.221 29.255 83.929 1.00 0.00 ATOM 986 CZ3 TRP A 133 13.759 28.661 81.649 1.00 0.00 ATOM 987 CH2 TRP A 133 13.473 28.305 82.980 1.00 0.00 ATOM 988 O TRP A 133 16.681 33.589 82.131 1.00 0.00 ATOM 989 C TRP A 133 15.843 34.238 81.512 1.00 0.00 ATOM 990 N ARG A 134 15.565 35.512 81.740 1.00 0.00 ATOM 991 CA ARG A 134 16.249 36.333 82.736 1.00 0.00 ATOM 992 CB ARG A 134 16.770 37.629 82.094 1.00 0.00 ATOM 993 CG ARG A 134 17.722 37.316 81.002 1.00 0.00 ATOM 994 CD ARG A 134 18.447 38.507 80.373 1.00 0.00 ATOM 995 NE ARG A 134 19.595 37.969 79.620 1.00 0.00 ATOM 996 CZ ARG A 134 20.390 38.655 78.796 1.00 0.00 ATOM 997 NH1 ARG A 134 20.174 39.944 78.578 1.00 0.00 ATOM 998 NH2 ARG A 134 21.427 38.032 78.210 1.00 0.00 ATOM 999 O ARG A 134 15.144 35.729 84.760 1.00 0.00 ATOM 1000 C ARG A 134 15.298 36.581 83.907 1.00 0.00 ATOM 1001 N GLU A 135 14.641 37.718 83.973 1.00 0.00 ATOM 1002 CA GLU A 135 13.826 37.961 85.164 1.00 0.00 ATOM 1003 CB GLU A 135 13.840 39.447 85.550 1.00 0.00 ATOM 1004 CG GLU A 135 15.225 39.938 86.055 1.00 0.00 ATOM 1005 CD GLU A 135 15.675 39.301 87.389 1.00 0.00 ATOM 1006 OE1 GLU A 135 14.798 38.903 88.192 1.00 0.00 ATOM 1007 OE2 GLU A 135 16.911 39.208 87.631 1.00 0.00 ATOM 1008 O GLU A 135 12.211 36.828 83.831 1.00 0.00 ATOM 1009 C GLU A 135 12.440 37.426 84.887 1.00 0.00 ATOM 1010 N ALA A 136 11.532 37.629 85.843 1.00 0.00 ATOM 1011 CA ALA A 136 10.159 37.140 85.744 1.00 0.00 ATOM 1012 CB ALA A 136 9.350 37.542 86.993 1.00 0.00 ATOM 1013 O ALA A 136 8.648 36.887 83.908 1.00 0.00 ATOM 1014 C ALA A 136 9.455 37.631 84.480 1.00 0.00 ATOM 1015 N ASN A 137 9.769 38.865 84.045 1.00 0.00 ATOM 1016 CA ASN A 137 9.177 39.447 82.822 1.00 0.00 ATOM 1017 CB ASN A 137 9.586 40.942 82.620 1.00 0.00 ATOM 1018 CG ASN A 137 11.054 41.120 82.211 1.00 0.00 ATOM 1019 ND2 ASN A 137 11.340 42.211 81.498 1.00 0.00 ATOM 1020 OD1 ASN A 137 11.917 40.297 82.552 1.00 0.00 ATOM 1021 O ASN A 137 8.827 38.937 80.519 1.00 0.00 ATOM 1022 C ASN A 137 9.447 38.661 81.542 1.00 0.00 ATOM 1023 N GLU A 138 10.406 37.733 81.587 1.00 0.00 ATOM 1024 CA GLU A 138 10.752 36.905 80.431 1.00 0.00 ATOM 1025 CB GLU A 138 12.270 36.878 80.228 1.00 0.00 ATOM 1026 CG GLU A 138 12.806 38.166 79.677 1.00 0.00 ATOM 1027 CD GLU A 138 14.183 38.000 79.099 1.00 0.00 ATOM 1028 OE1 GLU A 138 14.871 36.975 79.426 1.00 0.00 ATOM 1029 OE2 GLU A 138 14.565 38.904 78.315 1.00 0.00 ATOM 1030 O GLU A 138 10.523 34.654 79.677 1.00 0.00 ATOM 1031 C GLU A 138 10.247 35.472 80.550 1.00 0.00 ATOM 1032 N LEU A 139 9.496 35.158 81.606 1.00 0.00 ATOM 1033 CA LEU A 139 8.803 33.871 81.664 1.00 0.00 ATOM 1034 CB LEU A 139 7.964 33.738 82.945 1.00 0.00 ATOM 1035 CG LEU A 139 8.858 33.468 84.171 1.00 0.00 ATOM 1036 CD1 LEU A 139 8.147 33.758 85.492 1.00 0.00 ATOM 1037 CD2 LEU A 139 9.396 32.030 84.134 1.00 0.00 ATOM 1038 O LEU A 139 8.041 32.698 79.727 1.00 0.00 ATOM 1039 C LEU A 139 7.953 33.716 80.404 1.00 0.00 ATOM 1040 N SER A 140 7.190 34.754 80.077 1.00 0.00 ATOM 1041 CA SER A 140 6.527 34.882 78.786 1.00 0.00 ATOM 1042 CB SER A 140 5.701 36.183 78.740 1.00 0.00 ATOM 1043 OG SER A 140 5.179 36.455 77.449 1.00 0.00 ATOM 1044 O SER A 140 8.455 35.799 77.711 1.00 0.00 ATOM 1045 C SER A 140 7.556 34.936 77.680 1.00 0.00 ATOM 1046 N GLY A 141 7.445 34.022 76.723 1.00 0.00 ATOM 1047 CA GLY A 141 8.340 34.000 75.565 1.00 0.00 ATOM 1048 O GLY A 141 10.595 33.345 75.006 1.00 0.00 ATOM 1049 C GLY A 141 9.641 33.241 75.796 1.00 0.00 ATOM 1050 N ARG A 142 9.678 32.457 76.875 1.00 0.00 ATOM 1051 CA ARG A 142 10.897 31.759 77.260 1.00 0.00 ATOM 1052 CB ARG A 142 10.862 31.337 78.722 1.00 0.00 ATOM 1053 CG ARG A 142 9.913 30.202 79.030 1.00 0.00 ATOM 1054 CD ARG A 142 10.083 29.816 80.489 1.00 0.00 ATOM 1055 NE ARG A 142 9.173 28.760 80.937 1.00 0.00 ATOM 1056 CZ ARG A 142 7.903 28.937 81.324 1.00 0.00 ATOM 1057 NH1 ARG A 142 7.314 30.130 81.309 1.00 0.00 ATOM 1058 NH2 ARG A 142 7.201 27.890 81.731 1.00 0.00 ATOM 1059 O ARG A 142 12.370 30.224 76.254 1.00 0.00 ATOM 1060 C ARG A 142 11.220 30.563 76.364 1.00 0.00 ATOM 1061 N GLU A 143 10.244 29.974 75.659 1.00 0.00 ATOM 1062 CA GLU A 143 10.547 28.814 74.786 1.00 0.00 ATOM 1063 CB GLU A 143 9.330 27.908 74.583 1.00 0.00 ATOM 1064 CG GLU A 143 9.721 26.535 73.964 1.00 0.00 ATOM 1065 CD GLU A 143 8.516 25.582 73.814 1.00 0.00 ATOM 1066 OE1 GLU A 143 7.753 25.675 72.837 1.00 0.00 ATOM 1067 OE2 GLU A 143 8.335 24.731 74.698 1.00 0.00 ATOM 1068 O GLU A 143 10.433 29.911 72.647 1.00 0.00 ATOM 1069 C GLU A 143 11.094 29.206 73.421 1.00 0.00 ATOM 1070 N LEU A 144 12.293 28.715 73.091 1.00 0.00 ATOM 1071 CA LEU A 144 13.025 29.179 71.925 1.00 0.00 ATOM 1072 CB LEU A 144 14.404 29.700 72.329 1.00 0.00 ATOM 1073 CG LEU A 144 14.447 30.887 73.299 1.00 0.00 ATOM 1074 CD1 LEU A 144 15.887 31.269 73.579 1.00 0.00 ATOM 1075 CD2 LEU A 144 13.655 32.071 72.799 1.00 0.00 ATOM 1076 O LEU A 144 13.499 28.445 69.724 1.00 0.00 ATOM 1077 C LEU A 144 13.213 28.114 70.871 1.00 0.00 ATOM 1078 N MET A 145 13.137 26.848 71.295 1.00 0.00 ATOM 1079 CA MET A 145 13.164 25.686 70.431 1.00 0.00 ATOM 1080 CB MET A 145 14.568 25.007 70.451 1.00 0.00 ATOM 1081 CG MET A 145 14.592 23.745 69.641 1.00 0.00 ATOM 1082 SD MET A 145 16.285 22.757 69.798 1.00 0.00 ATOM 1083 CE MET A 145 17.347 24.003 69.039 1.00 0.00 ATOM 1084 O MET A 145 11.999 24.421 72.141 1.00 0.00 ATOM 1085 C MET A 145 12.157 24.680 70.920 1.00 0.00 ATOM 1086 N ARG A 146 11.482 24.092 69.957 1.00 0.00 ATOM 1087 CA ARG A 146 10.564 23.027 70.197 1.00 0.00 ATOM 1088 CB ARG A 146 9.151 23.611 70.210 1.00 0.00 ATOM 1089 CG ARG A 146 8.098 22.693 70.684 1.00 0.00 ATOM 1090 CD ARG A 146 6.789 23.460 70.714 1.00 0.00 ATOM 1091 NE ARG A 146 5.789 22.652 71.345 1.00 0.00 ATOM 1092 CZ ARG A 146 4.553 23.052 71.606 1.00 0.00 ATOM 1093 NH1 ARG A 146 4.156 24.266 71.278 1.00 0.00 ATOM 1094 NH2 ARG A 146 3.725 22.216 72.209 1.00 0.00 ATOM 1095 O ARG A 146 10.870 22.470 67.907 1.00 0.00 ATOM 1096 C ARG A 146 10.720 22.052 69.074 1.00 0.00 ATOM 1097 N ASP A 147 10.630 20.764 69.408 1.00 0.00 ATOM 1098 CA ASP A 147 10.795 19.649 68.452 1.00 0.00 ATOM 1099 CB ASP A 147 9.566 19.476 67.547 1.00 0.00 ATOM 1100 CG ASP A 147 8.257 19.369 68.335 1.00 0.00 ATOM 1101 OD1 ASP A 147 8.239 18.768 69.435 1.00 0.00 ATOM 1102 OD2 ASP A 147 7.241 19.907 67.859 1.00 0.00 ATOM 1103 O ASP A 147 12.008 19.449 66.403 1.00 0.00 ATOM 1104 C ASP A 147 12.030 19.781 67.589 1.00 0.00 ATOM 1105 N GLY A 148 13.109 20.285 68.187 1.00 0.00 ATOM 1106 CA GLY A 148 14.383 20.291 67.535 1.00 0.00 ATOM 1107 O GLY A 148 15.658 21.535 66.005 1.00 0.00 ATOM 1108 C GLY A 148 14.612 21.445 66.605 1.00 0.00 ATOM 1109 N GLU A 149 13.691 22.381 66.558 1.00 0.00 ATOM 1110 CA GLU A 149 13.778 23.542 65.620 1.00 0.00 ATOM 1111 CB GLU A 149 12.598 23.528 64.638 1.00 0.00 ATOM 1112 CG GLU A 149 12.479 22.293 63.778 1.00 0.00 ATOM 1113 CD GLU A 149 13.667 22.098 62.866 1.00 0.00 ATOM 1114 OE1 GLU A 149 14.409 23.081 62.599 1.00 0.00 ATOM 1115 OE2 GLU A 149 13.849 20.937 62.447 1.00 0.00 ATOM 1116 O GLU A 149 12.812 25.005 67.216 1.00 0.00 ATOM 1117 C GLU A 149 13.717 24.830 66.397 1.00 0.00 ATOM 1118 N TRP A 150 14.651 25.745 66.151 1.00 0.00 ATOM 1119 CA TRP A 150 14.566 27.076 66.724 1.00 0.00 ATOM 1120 CB TRP A 150 15.774 27.928 66.311 1.00 0.00 ATOM 1121 CG TRP A 150 17.071 27.442 66.897 1.00 0.00 ATOM 1122 CD1 TRP A 150 18.071 26.752 66.236 1.00 0.00 ATOM 1123 CD2 TRP A 150 17.522 27.596 68.249 1.00 0.00 ATOM 1124 CE2 TRP A 150 18.801 26.992 68.322 1.00 0.00 ATOM 1125 CE3 TRP A 150 16.998 28.202 69.393 1.00 0.00 ATOM 1126 NE1 TRP A 150 19.082 26.490 67.076 1.00 0.00 ATOM 1127 CZ2 TRP A 150 19.540 26.943 69.488 1.00 0.00 ATOM 1128 CZ3 TRP A 150 17.738 28.147 70.575 1.00 0.00 ATOM 1129 CH2 TRP A 150 19.007 27.512 70.611 1.00 0.00 ATOM 1130 O TRP A 150 12.870 27.570 65.065 1.00 0.00 ATOM 1131 C TRP A 150 13.265 27.754 66.229 1.00 0.00 ATOM 1132 N LEU A 151 12.601 28.500 67.111 1.00 0.00 ATOM 1133 CA LEU A 151 11.301 29.103 66.787 1.00 0.00 ATOM 1134 CB LEU A 151 10.430 29.151 68.040 1.00 0.00 ATOM 1135 CG LEU A 151 10.188 27.751 68.686 1.00 0.00 ATOM 1136 CD1 LEU A 151 9.396 27.827 69.985 1.00 0.00 ATOM 1137 CD2 LEU A 151 9.441 26.869 67.668 1.00 0.00 ATOM 1138 O LEU A 151 12.128 31.363 66.736 1.00 0.00 ATOM 1139 C LEU A 151 11.489 30.456 66.165 1.00 0.00 ATOM 1140 N VAL A 152 10.967 30.570 64.953 1.00 0.00 ATOM 1141 CA VAL A 152 11.042 31.790 64.158 1.00 0.00 ATOM 1142 CB VAL A 152 11.782 31.498 62.842 1.00 0.00 ATOM 1143 CG1 VAL A 152 11.684 32.707 61.892 1.00 0.00 ATOM 1144 CG2 VAL A 152 13.238 31.106 63.119 1.00 0.00 ATOM 1145 O VAL A 152 8.728 31.400 63.615 1.00 0.00 ATOM 1146 C VAL A 152 9.606 32.219 63.956 1.00 0.00 ATOM 1147 N THR A 153 9.327 33.490 64.237 1.00 0.00 ATOM 1148 CA THR A 153 8.019 34.036 64.070 1.00 0.00 ATOM 1149 CB THR A 153 8.033 35.505 64.473 1.00 0.00 ATOM 1150 CG2 THR A 153 6.711 36.066 64.333 1.00 0.00 ATOM 1151 OG1 THR A 153 8.443 35.586 65.844 1.00 0.00 ATOM 1152 O THR A 153 8.126 34.136 61.683 1.00 0.00 ATOM 1153 C THR A 153 7.441 33.875 62.649 1.00 0.00 ATOM 1154 N ASP A 154 6.167 33.476 62.564 1.00 0.00 ATOM 1155 CA ASP A 154 5.484 33.234 61.291 1.00 0.00 ATOM 1156 CB ASP A 154 4.167 32.508 61.486 1.00 0.00 ATOM 1157 CG ASP A 154 4.309 31.215 62.284 1.00 0.00 ATOM 1158 OD1 ASP A 154 4.302 31.297 63.527 1.00 0.00 ATOM 1159 OD2 ASP A 154 4.448 30.141 61.667 1.00 0.00 ATOM 1160 O ASP A 154 5.003 35.543 61.191 1.00 0.00 ATOM 1161 C ASP A 154 5.212 34.506 60.533 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 T0370.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0370)D34.C and (T0370)G35.C only 0.000 apart, marking (T0370)G35.C as missing WARNING: atoms too close: (T0370)G35.N and (T0370)G36.N only 0.000 apart, marking (T0370)G35.N as missing WARNING: atoms too close: (T0370)G35.CA and (T0370)G36.CA only 0.000 apart, marking (T0370)G35.CA as missing # WARNING: incomplete conformation T0370 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 = 0.921 # GDT_score = -57.401 # GDT_score(maxd=8.000,maxw=2.900)= -59.459 # GDT_score(maxd=8.000,maxw=3.200)= -56.633 # GDT_score(maxd=8.000,maxw=3.500)= -53.597 # GDT_score(maxd=10.000,maxw=3.800)= -56.091 # GDT_score(maxd=10.000,maxw=4.000)= -54.141 # GDT_score(maxd=10.000,maxw=4.200)= -52.317 # GDT_score(maxd=12.000,maxw=4.300)= -55.625 # GDT_score(maxd=12.000,maxw=4.500)= -53.846 # GDT_score(maxd=12.000,maxw=4.700)= -52.119 # GDT_score(maxd=14.000,maxw=5.200)= -51.313 # GDT_score(maxd=14.000,maxw=5.500)= -49.057 # command:# ReadConformPDB reading from PDB file T0370.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0370)E21.C and (T0370)L22.C only 0.000 apart, marking (T0370)L22.C as missing WARNING: atoms too close: (T0370)L22.N and (T0370)D23.N only 0.000 apart, marking (T0370)L22.N as missing WARNING: atoms too close: (T0370)L22.CA and (T0370)D23.CA only 0.000 apart, marking (T0370)L22.CA as missing WARNING: atoms too close: (T0370)D34.C and (T0370)G35.C only 0.000 apart, marking (T0370)G35.C as missing WARNING: atoms too close: (T0370)G35.N and (T0370)G36.N only 0.000 apart, marking (T0370)G35.N as missing WARNING: atoms too close: (T0370)G35.CA and (T0370)G36.CA only 0.000 apart, marking (T0370)G35.CA as missing # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.961 # GDT_score = -55.757 # GDT_score(maxd=8.000,maxw=2.900)= -56.902 # GDT_score(maxd=8.000,maxw=3.200)= -54.880 # GDT_score(maxd=8.000,maxw=3.500)= -52.525 # GDT_score(maxd=10.000,maxw=3.800)= -54.804 # GDT_score(maxd=10.000,maxw=4.000)= -53.208 # GDT_score(maxd=10.000,maxw=4.200)= -51.600 # GDT_score(maxd=12.000,maxw=4.300)= -54.608 # GDT_score(maxd=12.000,maxw=4.500)= -53.029 # GDT_score(maxd=12.000,maxw=4.700)= -51.471 # GDT_score(maxd=14.000,maxw=5.200)= -50.808 # GDT_score(maxd=14.000,maxw=5.500)= -48.647 # command:# ReadConformPDB reading from PDB file T0370.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0370)D34.C and (T0370)G35.C only 0.000 apart, marking (T0370)G35.C as missing WARNING: atoms too close: (T0370)G35.N and (T0370)G36.N only 0.000 apart, marking (T0370)G35.N as missing WARNING: atoms too close: (T0370)G35.CA and (T0370)G36.CA only 0.000 apart, marking (T0370)G35.CA as missing WARNING: atoms too close: (T0370)G110.C and (T0370)D112.C only 0.000 apart, marking (T0370)D112.C as missing WARNING: atoms too close: (T0370)F111.N and (T0370)P113.N only 0.000 apart, marking (T0370)F111.N as missing WARNING: atoms too close: (T0370)F111.CA and (T0370)P113.CA only 0.000 apart, marking (T0370)F111.CA as missing WARNING: atoms too close: (T0370)W133.C and (T0370)A136.C only 0.000 apart, marking (T0370)A136.C as missing WARNING: atoms too close: (T0370)R134.N and (T0370)N137.N only 0.000 apart, marking (T0370)R134.N as missing WARNING: atoms too close: (T0370)R134.CA and (T0370)N137.CA only 0.000 apart, marking (T0370)R134.CA as missing # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0370.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0370)A6.C and (T0370)R12.C only 0.000 apart, marking (T0370)R12.C as missing WARNING: atoms too close: (T0370)R7.N and (T0370)I13.N only 0.000 apart, marking (T0370)R7.N as missing WARNING: atoms too close: (T0370)R7.CA and (T0370)I13.CA only 0.000 apart, marking (T0370)R7.CA as missing WARNING: atoms too close: (T0370)E21.C and (T0370)L22.C only 0.000 apart, marking (T0370)L22.C as missing WARNING: atoms too close: (T0370)L22.N and (T0370)D23.N only 0.000 apart, marking (T0370)L22.N as missing WARNING: atoms too close: (T0370)L22.CA and (T0370)D23.CA only 0.000 apart, marking (T0370)L22.CA as missing WARNING: atoms too close: (T0370)D34.C and (T0370)G35.C only 0.000 apart, marking (T0370)G35.C as missing WARNING: atoms too close: (T0370)G35.N and (T0370)G36.N only 0.000 apart, marking (T0370)G35.N as missing WARNING: atoms too close: (T0370)G35.CA and (T0370)G36.CA only 0.000 apart, marking (T0370)G35.CA as missing WARNING: atoms too close: (T0370)D112.C and (T0370)R114.C only 0.000 apart, marking (T0370)R114.C as missing WARNING: atoms too close: (T0370)P113.N and (T0370)R115.N only 0.000 apart, marking (T0370)P113.N as missing WARNING: atoms too close: (T0370)P113.CA and (T0370)R115.CA only 0.000 apart, marking (T0370)P113.CA as missing # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0370.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0370)E21.C and (T0370)L22.C only 0.000 apart, marking (T0370)L22.C as missing WARNING: atoms too close: (T0370)L22.N and (T0370)D23.N only 0.000 apart, marking (T0370)L22.N as missing WARNING: atoms too close: (T0370)L22.CA and (T0370)D23.CA only 0.000 apart, marking (T0370)L22.CA as missing WARNING: atoms too close: (T0370)D34.C and (T0370)G35.C only 0.000 apart, marking (T0370)G35.C as missing WARNING: atoms too close: (T0370)G35.N and (T0370)G36.N only 0.000 apart, marking (T0370)G35.N as missing WARNING: atoms too close: (T0370)G35.CA and (T0370)G36.CA only 0.000 apart, marking (T0370)G35.CA as missing # WARNING: incomplete conformation T0370 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 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try10-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 T0370.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try22-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 T0370.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try28-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 T0370.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try29-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 T0370.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try30-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try30-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try30-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try30-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try30-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try30-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try31-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try31-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try31-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try31-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try31-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try31-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try32-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try32-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try32-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try32-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try32-opt2.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try32-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try33-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try33-opt1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try33-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try33-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try33-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try33-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 T0370.try34-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try34-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try34-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try34-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try34-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try34-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 T0370.try35-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try35-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try35-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try35-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try35-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try35-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try36-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try36-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try36-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try36-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try36-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try36-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try37-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try37-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try37-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try37-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try37-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try37-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 T0370.try38-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try38-opt1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try38-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try38-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try38-opt2.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try38-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try39-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try39-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try39-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try39-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try39-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try39-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 T0370.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try40-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try40-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try40-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try40-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try40-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try40-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try41-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try41-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try41-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try41-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try41-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try41-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 T0370.try42-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try42-opt1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try42-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try42-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try42-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try42-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 T0370.try43-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try43-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try43-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try43-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 T0370.try43-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try43-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 T0370.try44-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try44-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try44-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try44-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try44-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try45-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try45-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try45-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try45-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try45-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try45-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try46-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try46-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try46-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try46-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try46-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try46-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try47-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try47-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try47-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try47-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try47-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try47-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 T0370.try48-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try48-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try49-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try49-opt1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try49-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try49-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try49-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try49-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try5-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 T0370.try50-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try50-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try50-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try50-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try50-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try50-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try51-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try51-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try51-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try51-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try51-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try51-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try52-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try52-opt1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try52-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try52-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try52-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try52-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try53-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try53-opt1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try53-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try53-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try53-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try53-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try54-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try54-opt1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try54-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try54-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try54-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try54-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try55-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try55-opt1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try55-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try55-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try55-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try55-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try56-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try56-opt1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try56-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try56-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try56-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try56-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try57-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try57-opt1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try57-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try57-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try57-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try57-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try58-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try58-opt1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try58-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try58-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try58-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try58-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try59-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try59-opt1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try59-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try59-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try59-opt2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try59-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try60-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try60-opt1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try60-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try60-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try60-opt2.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try60-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try61-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try61-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try61-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try61-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try61-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try61-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 T0370.try62-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try62-opt1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try62-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try62-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try62-opt2.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try62-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try63-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try63-opt1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try63-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try63-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try63-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try63-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try64-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try64-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try64-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try64-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try64-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try64-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try65-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try65-opt1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try65-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try65-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try65-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try65-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try67-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try67-opt1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try67-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try67-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try67-opt2.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try67-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try68-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try68-opt1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try68-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try68-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try68-opt2.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try68-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try69-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try69-opt1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try69-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try69-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try69-opt2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try69-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try70-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try70-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try70-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try70-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 T0370.try70-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try70-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try71-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try71-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try71-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try71-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try71-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try71-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try72-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try72-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try72-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try72-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try72-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try72-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 T0370.try73-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try73-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try73-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try73-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try73-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try73-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 T0370.try74-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try74-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try74-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try74-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try74-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try74-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 T0370.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 T0370.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0370.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-43-31.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-43-44.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-47-31.pdb.gz looking for model 1 WARNING: atom 206 has residue number 27 < previous residue 46 in chimera-47-31.pdb.gz # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera30-33-30.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera30-33.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera64-46-no2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera64-46.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr370.gromacs0.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr370.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr370.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr370.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file try65-opt2_broken.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try1-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//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try1-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//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try15-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try15-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try15-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try15-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try15-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try15-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try15-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try16-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try16-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try16-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try16-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try16-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try16-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try16-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try17-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try17-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try17-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try17-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try17-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try17-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try17-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try18-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try18-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try18-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try18-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try18-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try18-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try18-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try19-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try19-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try19-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try19-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try19-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try19-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try19-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try20-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try20-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try20-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try20-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try20-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try20-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try20-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try21-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try21-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try21-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try21-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try21-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try21-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try21-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try22-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try22-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try22-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try22-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try22-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try22-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try22-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try23-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try23-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try23-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try23-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try23-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try23-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try23-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try23-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try23-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try23-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try23-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try23-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try23-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try23-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try7-opt2.unpack.gromacs0.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//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0370.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try46-opt2.gromacs0.repack-nonPC-template-1dnl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try46-opt2.gromacs0.repack-nonPC-template-1dnl # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try46-opt2.gromacs0.repack-nonPC-template-1rfeA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try46-opt2.gromacs0.repack-nonPC-template-1rfeA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try46-opt2.gromacs0.repack-nonPC-template-2aq6A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try46-opt2.gromacs0.repack-nonPC-template-2aq6A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try46-opt2.gromacs0.repack-nonPC-template-2arzA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try46-opt2.gromacs0.repack-nonPC-template-2arzA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try51-opt2-template-2aq6A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try51-opt2-template-2aq6A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try51-opt2-template-2arzA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try51-opt2-template-2arzA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try51-opt2-template-2fhqA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try51-opt2-template-2fhqA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try56-opt2-template-1rfeA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try56-opt2-template-1rfeA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try64-opt2-1rfeA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try64-opt2-1rfeA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try72-opt2-1rfeA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try72-opt2-1rfeA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try73-opt2-1rfeA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try73-opt2-1rfeA # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1954791386.pdb -s /var/tmp/to_scwrl_1954791386.seq -o /var/tmp/from_scwrl_1954791386.pdb > /var/tmp/scwrl_1954791386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1954791386.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 T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1154615179.pdb -s /var/tmp/to_scwrl_1154615179.seq -o /var/tmp/from_scwrl_1154615179.pdb > /var/tmp/scwrl_1154615179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154615179.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 T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1590134917.pdb -s /var/tmp/to_scwrl_1590134917.seq -o /var/tmp/from_scwrl_1590134917.pdb > /var/tmp/scwrl_1590134917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590134917.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1610167771.pdb -s /var/tmp/to_scwrl_1610167771.seq -o /var/tmp/from_scwrl_1610167771.pdb > /var/tmp/scwrl_1610167771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610167771.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 T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_874726153.pdb -s /var/tmp/to_scwrl_874726153.seq -o /var/tmp/from_scwrl_874726153.pdb > /var/tmp/scwrl_874726153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874726153.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2039665261.pdb -s /var/tmp/to_scwrl_2039665261.seq -o /var/tmp/from_scwrl_2039665261.pdb > /var/tmp/scwrl_2039665261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2039665261.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_886388447.pdb -s /var/tmp/to_scwrl_886388447.seq -o /var/tmp/from_scwrl_886388447.pdb > /var/tmp/scwrl_886388447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_886388447.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 T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_478154845.pdb -s /var/tmp/to_scwrl_478154845.seq -o /var/tmp/from_scwrl_478154845.pdb > /var/tmp/scwrl_478154845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478154845.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_881316799.pdb -s /var/tmp/to_scwrl_881316799.seq -o /var/tmp/from_scwrl_881316799.pdb > /var/tmp/scwrl_881316799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881316799.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_40074706.pdb -s /var/tmp/to_scwrl_40074706.seq -o /var/tmp/from_scwrl_40074706.pdb > /var/tmp/scwrl_40074706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40074706.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 T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1079931738.pdb -s /var/tmp/to_scwrl_1079931738.seq -o /var/tmp/from_scwrl_1079931738.pdb > /var/tmp/scwrl_1079931738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079931738.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1773360087.pdb -s /var/tmp/to_scwrl_1773360087.seq -o /var/tmp/from_scwrl_1773360087.pdb > /var/tmp/scwrl_1773360087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773360087.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_776278662.pdb -s /var/tmp/to_scwrl_776278662.seq -o /var/tmp/from_scwrl_776278662.pdb > /var/tmp/scwrl_776278662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776278662.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2119415641.pdb -s /var/tmp/to_scwrl_2119415641.seq -o /var/tmp/from_scwrl_2119415641.pdb > /var/tmp/scwrl_2119415641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119415641.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 T0370 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_798441018.pdb -s /var/tmp/to_scwrl_798441018.seq -o /var/tmp/from_scwrl_798441018.pdb > /var/tmp/scwrl_798441018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798441018.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 123 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_815611770.pdb -s /var/tmp/to_scwrl_815611770.seq -o /var/tmp/from_scwrl_815611770.pdb > /var/tmp/scwrl_815611770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815611770.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 22 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1799258605.pdb -s /var/tmp/to_scwrl_1799258605.seq -o /var/tmp/from_scwrl_1799258605.pdb > /var/tmp/scwrl_1799258605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799258605.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_720971062.pdb -s /var/tmp/to_scwrl_720971062.seq -o /var/tmp/from_scwrl_720971062.pdb > /var/tmp/scwrl_720971062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720971062.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 98 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_842589385.pdb -s /var/tmp/to_scwrl_842589385.seq -o /var/tmp/from_scwrl_842589385.pdb > /var/tmp/scwrl_842589385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842589385.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 53 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1115406460.pdb -s /var/tmp/to_scwrl_1115406460.seq -o /var/tmp/from_scwrl_1115406460.pdb > /var/tmp/scwrl_1115406460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115406460.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 136 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1803299838.pdb -s /var/tmp/to_scwrl_1803299838.seq -o /var/tmp/from_scwrl_1803299838.pdb > /var/tmp/scwrl_1803299838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803299838.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_246660511.pdb -s /var/tmp/to_scwrl_246660511.seq -o /var/tmp/from_scwrl_246660511.pdb > /var/tmp/scwrl_246660511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246660511.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1192685779.pdb -s /var/tmp/to_scwrl_1192685779.seq -o /var/tmp/from_scwrl_1192685779.pdb > /var/tmp/scwrl_1192685779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192685779.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 131 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1746970307.pdb -s /var/tmp/to_scwrl_1746970307.seq -o /var/tmp/from_scwrl_1746970307.pdb > /var/tmp/scwrl_1746970307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746970307.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 145 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2073206659.pdb -s /var/tmp/to_scwrl_2073206659.seq -o /var/tmp/from_scwrl_2073206659.pdb > /var/tmp/scwrl_2073206659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073206659.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 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_837530237.pdb -s /var/tmp/to_scwrl_837530237.seq -o /var/tmp/from_scwrl_837530237.pdb > /var/tmp/scwrl_837530237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837530237.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 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1706612864.pdb -s /var/tmp/to_scwrl_1706612864.seq -o /var/tmp/from_scwrl_1706612864.pdb > /var/tmp/scwrl_1706612864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706612864.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 134 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1112276258.pdb -s /var/tmp/to_scwrl_1112276258.seq -o /var/tmp/from_scwrl_1112276258.pdb > /var/tmp/scwrl_1112276258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112276258.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-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 139 ; scwrl3 -i /var/tmp/to_scwrl_308691967.pdb -s /var/tmp/to_scwrl_308691967.seq -o /var/tmp/from_scwrl_308691967.pdb > /var/tmp/scwrl_308691967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308691967.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_887789567.pdb -s /var/tmp/to_scwrl_887789567.seq -o /var/tmp/from_scwrl_887789567.pdb > /var/tmp/scwrl_887789567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_887789567.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 T0370 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1056062238.pdb -s /var/tmp/to_scwrl_1056062238.seq -o /var/tmp/from_scwrl_1056062238.pdb > /var/tmp/scwrl_1056062238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1056062238.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_115999707.pdb -s /var/tmp/to_scwrl_115999707.seq -o /var/tmp/from_scwrl_115999707.pdb > /var/tmp/scwrl_115999707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115999707.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2042404746.pdb -s /var/tmp/to_scwrl_2042404746.seq -o /var/tmp/from_scwrl_2042404746.pdb > /var/tmp/scwrl_2042404746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042404746.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_498713509.pdb -s /var/tmp/to_scwrl_498713509.seq -o /var/tmp/from_scwrl_498713509.pdb > /var/tmp/scwrl_498713509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498713509.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1726167478.pdb -s /var/tmp/to_scwrl_1726167478.seq -o /var/tmp/from_scwrl_1726167478.pdb > /var/tmp/scwrl_1726167478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726167478.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_769647252.pdb -s /var/tmp/to_scwrl_769647252.seq -o /var/tmp/from_scwrl_769647252.pdb > /var/tmp/scwrl_769647252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_769647252.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 148 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_390895123.pdb -s /var/tmp/to_scwrl_390895123.seq -o /var/tmp/from_scwrl_390895123.pdb > /var/tmp/scwrl_390895123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390895123.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_465072279.pdb -s /var/tmp/to_scwrl_465072279.seq -o /var/tmp/from_scwrl_465072279.pdb > /var/tmp/scwrl_465072279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465072279.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 T0370 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1247802097.pdb -s /var/tmp/to_scwrl_1247802097.seq -o /var/tmp/from_scwrl_1247802097.pdb > /var/tmp/scwrl_1247802097.log Error: Couldn't open file /var/tmp/from_scwrl_1247802097.pdb or /var/tmp/from_scwrl_1247802097.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1247802097_b.pdb or decoys//var/tmp/from_scwrl_1247802097_b.pdb.gz for input Trying /var/tmp/from_scwrl_1247802097_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1247802097_b.pdb or /var/tmp/from_scwrl_1247802097_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1247802097_a.pdb or decoys//var/tmp/from_scwrl_1247802097_a.pdb.gz for input Trying /var/tmp/from_scwrl_1247802097_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1247802097_a.pdb or /var/tmp/from_scwrl_1247802097_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1247802097.pdb or /var/tmp/from_scwrl_1247802097_b.pdb or /var/tmp/from_scwrl_1247802097_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 T0370 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1272211921.pdb -s /var/tmp/to_scwrl_1272211921.seq -o /var/tmp/from_scwrl_1272211921.pdb > /var/tmp/scwrl_1272211921.log Error: Couldn't open file /var/tmp/from_scwrl_1272211921.pdb or /var/tmp/from_scwrl_1272211921.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1272211921_b.pdb or decoys//var/tmp/from_scwrl_1272211921_b.pdb.gz for input Trying /var/tmp/from_scwrl_1272211921_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1272211921_b.pdb or /var/tmp/from_scwrl_1272211921_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1272211921_a.pdb or decoys//var/tmp/from_scwrl_1272211921_a.pdb.gz for input Trying /var/tmp/from_scwrl_1272211921_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1272211921_a.pdb or /var/tmp/from_scwrl_1272211921_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1272211921.pdb or /var/tmp/from_scwrl_1272211921_b.pdb or /var/tmp/from_scwrl_1272211921_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 T0370 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_505146985.pdb -s /var/tmp/to_scwrl_505146985.seq -o /var/tmp/from_scwrl_505146985.pdb > /var/tmp/scwrl_505146985.log Error: Couldn't open file /var/tmp/from_scwrl_505146985.pdb or /var/tmp/from_scwrl_505146985.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_505146985_b.pdb or decoys//var/tmp/from_scwrl_505146985_b.pdb.gz for input Trying /var/tmp/from_scwrl_505146985_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_505146985_b.pdb or /var/tmp/from_scwrl_505146985_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_505146985_a.pdb or decoys//var/tmp/from_scwrl_505146985_a.pdb.gz for input Trying /var/tmp/from_scwrl_505146985_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_505146985_a.pdb or /var/tmp/from_scwrl_505146985_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_505146985.pdb or /var/tmp/from_scwrl_505146985_b.pdb or /var/tmp/from_scwrl_505146985_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 T0370 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_180250189.pdb -s /var/tmp/to_scwrl_180250189.seq -o /var/tmp/from_scwrl_180250189.pdb > /var/tmp/scwrl_180250189.log Error: Couldn't open file /var/tmp/from_scwrl_180250189.pdb or /var/tmp/from_scwrl_180250189.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_180250189_b.pdb or decoys//var/tmp/from_scwrl_180250189_b.pdb.gz for input Trying /var/tmp/from_scwrl_180250189_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_180250189_b.pdb or /var/tmp/from_scwrl_180250189_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_180250189_a.pdb or decoys//var/tmp/from_scwrl_180250189_a.pdb.gz for input Trying /var/tmp/from_scwrl_180250189_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_180250189_a.pdb or /var/tmp/from_scwrl_180250189_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_180250189.pdb or /var/tmp/from_scwrl_180250189_b.pdb or /var/tmp/from_scwrl_180250189_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 T0370 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_898088362.pdb -s /var/tmp/to_scwrl_898088362.seq -o /var/tmp/from_scwrl_898088362.pdb > /var/tmp/scwrl_898088362.log Error: Couldn't open file /var/tmp/from_scwrl_898088362.pdb or /var/tmp/from_scwrl_898088362.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_898088362_b.pdb or decoys//var/tmp/from_scwrl_898088362_b.pdb.gz for input Trying /var/tmp/from_scwrl_898088362_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_898088362_b.pdb or /var/tmp/from_scwrl_898088362_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_898088362_a.pdb or decoys//var/tmp/from_scwrl_898088362_a.pdb.gz for input Trying /var/tmp/from_scwrl_898088362_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_898088362_a.pdb or /var/tmp/from_scwrl_898088362_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_898088362.pdb or /var/tmp/from_scwrl_898088362_b.pdb or /var/tmp/from_scwrl_898088362_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 149 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1281425647.pdb -s /var/tmp/to_scwrl_1281425647.seq -o /var/tmp/from_scwrl_1281425647.pdb > /var/tmp/scwrl_1281425647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281425647.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 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_152182183.pdb -s /var/tmp/to_scwrl_152182183.seq -o /var/tmp/from_scwrl_152182183.pdb > /var/tmp/scwrl_152182183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152182183.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1696529379.pdb -s /var/tmp/to_scwrl_1696529379.seq -o /var/tmp/from_scwrl_1696529379.pdb > /var/tmp/scwrl_1696529379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696529379.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 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2097037417.pdb -s /var/tmp/to_scwrl_2097037417.seq -o /var/tmp/from_scwrl_2097037417.pdb > /var/tmp/scwrl_2097037417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2097037417.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1951440788.pdb -s /var/tmp/to_scwrl_1951440788.seq -o /var/tmp/from_scwrl_1951440788.pdb > /var/tmp/scwrl_1951440788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951440788.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 153 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_270016794.pdb -s /var/tmp/to_scwrl_270016794.seq -o /var/tmp/from_scwrl_270016794.pdb > /var/tmp/scwrl_270016794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_270016794.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_792143155.pdb -s /var/tmp/to_scwrl_792143155.seq -o /var/tmp/from_scwrl_792143155.pdb > /var/tmp/scwrl_792143155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792143155.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_919363603.pdb -s /var/tmp/to_scwrl_919363603.seq -o /var/tmp/from_scwrl_919363603.pdb > /var/tmp/scwrl_919363603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919363603.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2073316633.pdb -s /var/tmp/to_scwrl_2073316633.seq -o /var/tmp/from_scwrl_2073316633.pdb > /var/tmp/scwrl_2073316633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073316633.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1038803666.pdb -s /var/tmp/to_scwrl_1038803666.seq -o /var/tmp/from_scwrl_1038803666.pdb > /var/tmp/scwrl_1038803666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038803666.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 151 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2112049382.pdb -s /var/tmp/to_scwrl_2112049382.seq -o /var/tmp/from_scwrl_2112049382.pdb > /var/tmp/scwrl_2112049382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112049382.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 132 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1672803293.pdb -s /var/tmp/to_scwrl_1672803293.seq -o /var/tmp/from_scwrl_1672803293.pdb > /var/tmp/scwrl_1672803293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672803293.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 110 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_964526678.pdb -s /var/tmp/to_scwrl_964526678.seq -o /var/tmp/from_scwrl_964526678.pdb > /var/tmp/scwrl_964526678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964526678.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 149 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_802095972.pdb -s /var/tmp/to_scwrl_802095972.seq -o /var/tmp/from_scwrl_802095972.pdb > /var/tmp/scwrl_802095972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802095972.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 # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1231932510.pdb -s /var/tmp/to_scwrl_1231932510.seq -o /var/tmp/from_scwrl_1231932510.pdb > /var/tmp/scwrl_1231932510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231932510.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 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2076802936.pdb -s /var/tmp/to_scwrl_2076802936.seq -o /var/tmp/from_scwrl_2076802936.pdb > /var/tmp/scwrl_2076802936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076802936.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 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1110787939.pdb -s /var/tmp/to_scwrl_1110787939.seq -o /var/tmp/from_scwrl_1110787939.pdb > /var/tmp/scwrl_1110787939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110787939.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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2119722077.pdb -s /var/tmp/to_scwrl_2119722077.seq -o /var/tmp/from_scwrl_2119722077.pdb > /var/tmp/scwrl_2119722077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119722077.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 T0370 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_985381528.pdb -s /var/tmp/to_scwrl_985381528.seq -o /var/tmp/from_scwrl_985381528.pdb > /var/tmp/scwrl_985381528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_985381528.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 169, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1226787646.pdb -s /var/tmp/to_scwrl_1226787646.seq -o /var/tmp/from_scwrl_1226787646.pdb > /var/tmp/scwrl_1226787646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1226787646.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 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2014643176.pdb -s /var/tmp/to_scwrl_2014643176.seq -o /var/tmp/from_scwrl_2014643176.pdb > /var/tmp/scwrl_2014643176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014643176.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 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1484095036.pdb -s /var/tmp/to_scwrl_1484095036.seq -o /var/tmp/from_scwrl_1484095036.pdb > /var/tmp/scwrl_1484095036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484095036.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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_805471478.pdb -s /var/tmp/to_scwrl_805471478.seq -o /var/tmp/from_scwrl_805471478.pdb > /var/tmp/scwrl_805471478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_805471478.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_636806782.pdb -s /var/tmp/to_scwrl_636806782.seq -o /var/tmp/from_scwrl_636806782.pdb > /var/tmp/scwrl_636806782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636806782.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 Skipped atom 169, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1874990159.pdb -s /var/tmp/to_scwrl_1874990159.seq -o /var/tmp/from_scwrl_1874990159.pdb > /var/tmp/scwrl_1874990159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874990159.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 62 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1270543756.pdb -s /var/tmp/to_scwrl_1270543756.seq -o /var/tmp/from_scwrl_1270543756.pdb > /var/tmp/scwrl_1270543756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1270543756.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 153 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1884608879.pdb -s /var/tmp/to_scwrl_1884608879.seq -o /var/tmp/from_scwrl_1884608879.pdb > /var/tmp/scwrl_1884608879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884608879.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 # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_999718434.pdb -s /var/tmp/to_scwrl_999718434.seq -o /var/tmp/from_scwrl_999718434.pdb > /var/tmp/scwrl_999718434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_999718434.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 102 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1775690742.pdb -s /var/tmp/to_scwrl_1775690742.seq -o /var/tmp/from_scwrl_1775690742.pdb > /var/tmp/scwrl_1775690742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775690742.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 152 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2064859068.pdb -s /var/tmp/to_scwrl_2064859068.seq -o /var/tmp/from_scwrl_2064859068.pdb > /var/tmp/scwrl_2064859068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064859068.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 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1897806795.pdb -s /var/tmp/to_scwrl_1897806795.seq -o /var/tmp/from_scwrl_1897806795.pdb > /var/tmp/scwrl_1897806795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897806795.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 18 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_909632743.pdb -s /var/tmp/to_scwrl_909632743.seq -o /var/tmp/from_scwrl_909632743.pdb > /var/tmp/scwrl_909632743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_909632743.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_69557605.pdb -s /var/tmp/to_scwrl_69557605.seq -o /var/tmp/from_scwrl_69557605.pdb > /var/tmp/scwrl_69557605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69557605.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1446852527.pdb -s /var/tmp/to_scwrl_1446852527.seq -o /var/tmp/from_scwrl_1446852527.pdb > /var/tmp/scwrl_1446852527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1446852527.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_859186513.pdb -s /var/tmp/to_scwrl_859186513.seq -o /var/tmp/from_scwrl_859186513.pdb > /var/tmp/scwrl_859186513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859186513.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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2020998393.pdb -s /var/tmp/to_scwrl_2020998393.seq -o /var/tmp/from_scwrl_2020998393.pdb > /var/tmp/scwrl_2020998393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020998393.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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1716869322.pdb -s /var/tmp/to_scwrl_1716869322.seq -o /var/tmp/from_scwrl_1716869322.pdb > /var/tmp/scwrl_1716869322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716869322.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 Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 354, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1651329667.pdb -s /var/tmp/to_scwrl_1651329667.seq -o /var/tmp/from_scwrl_1651329667.pdb > /var/tmp/scwrl_1651329667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651329667.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 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_792878349.pdb -s /var/tmp/to_scwrl_792878349.seq -o /var/tmp/from_scwrl_792878349.pdb > /var/tmp/scwrl_792878349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792878349.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 T0370 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1642702308.pdb -s /var/tmp/to_scwrl_1642702308.seq -o /var/tmp/from_scwrl_1642702308.pdb > /var/tmp/scwrl_1642702308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642702308.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 139 ; scwrl3 -i /var/tmp/to_scwrl_542649686.pdb -s /var/tmp/to_scwrl_542649686.seq -o /var/tmp/from_scwrl_542649686.pdb > /var/tmp/scwrl_542649686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542649686.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 148 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_757444084.pdb -s /var/tmp/to_scwrl_757444084.seq -o /var/tmp/from_scwrl_757444084.pdb > /var/tmp/scwrl_757444084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757444084.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 149 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1168021954.pdb -s /var/tmp/to_scwrl_1168021954.seq -o /var/tmp/from_scwrl_1168021954.pdb > /var/tmp/scwrl_1168021954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1168021954.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 148 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1507176363.pdb -s /var/tmp/to_scwrl_1507176363.seq -o /var/tmp/from_scwrl_1507176363.pdb > /var/tmp/scwrl_1507176363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1507176363.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 153 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1559540056.pdb -s /var/tmp/to_scwrl_1559540056.seq -o /var/tmp/from_scwrl_1559540056.pdb > /var/tmp/scwrl_1559540056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559540056.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_252470818.pdb -s /var/tmp/to_scwrl_252470818.seq -o /var/tmp/from_scwrl_252470818.pdb > /var/tmp/scwrl_252470818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252470818.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1436495652.pdb -s /var/tmp/to_scwrl_1436495652.seq -o /var/tmp/from_scwrl_1436495652.pdb > /var/tmp/scwrl_1436495652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436495652.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_522844349.pdb -s /var/tmp/to_scwrl_522844349.seq -o /var/tmp/from_scwrl_522844349.pdb > /var/tmp/scwrl_522844349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522844349.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_224709248.pdb -s /var/tmp/to_scwrl_224709248.seq -o /var/tmp/from_scwrl_224709248.pdb > /var/tmp/scwrl_224709248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224709248.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_274393533.pdb -s /var/tmp/to_scwrl_274393533.seq -o /var/tmp/from_scwrl_274393533.pdb > /var/tmp/scwrl_274393533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_274393533.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1749631995.pdb -s /var/tmp/to_scwrl_1749631995.seq -o /var/tmp/from_scwrl_1749631995.pdb > /var/tmp/scwrl_1749631995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749631995.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_91868777.pdb -s /var/tmp/to_scwrl_91868777.seq -o /var/tmp/from_scwrl_91868777.pdb > /var/tmp/scwrl_91868777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91868777.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1758488569.pdb -s /var/tmp/to_scwrl_1758488569.seq -o /var/tmp/from_scwrl_1758488569.pdb > /var/tmp/scwrl_1758488569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1758488569.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_407619826.pdb -s /var/tmp/to_scwrl_407619826.seq -o /var/tmp/from_scwrl_407619826.pdb > /var/tmp/scwrl_407619826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407619826.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 # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_728675559.pdb -s /var/tmp/to_scwrl_728675559.seq -o /var/tmp/from_scwrl_728675559.pdb > /var/tmp/scwrl_728675559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728675559.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 145 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1485995081.pdb -s /var/tmp/to_scwrl_1485995081.seq -o /var/tmp/from_scwrl_1485995081.pdb > /var/tmp/scwrl_1485995081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485995081.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 139 ; scwrl3 -i /var/tmp/to_scwrl_1678163583.pdb -s /var/tmp/to_scwrl_1678163583.seq -o /var/tmp/from_scwrl_1678163583.pdb > /var/tmp/scwrl_1678163583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678163583.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 139 ; scwrl3 -i /var/tmp/to_scwrl_465800791.pdb -s /var/tmp/to_scwrl_465800791.seq -o /var/tmp/from_scwrl_465800791.pdb > /var/tmp/scwrl_465800791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465800791.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 T0370 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_338229868.pdb -s /var/tmp/to_scwrl_338229868.seq -o /var/tmp/from_scwrl_338229868.pdb > /var/tmp/scwrl_338229868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338229868.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 T0370 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1306370678.pdb -s /var/tmp/to_scwrl_1306370678.seq -o /var/tmp/from_scwrl_1306370678.pdb > /var/tmp/scwrl_1306370678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306370678.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 T0370 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_383176213.pdb -s /var/tmp/to_scwrl_383176213.seq -o /var/tmp/from_scwrl_383176213.pdb > /var/tmp/scwrl_383176213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383176213.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 T0370 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_88553016.pdb -s /var/tmp/to_scwrl_88553016.seq -o /var/tmp/from_scwrl_88553016.pdb > /var/tmp/scwrl_88553016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_88553016.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 T0370 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_68519774.pdb -s /var/tmp/to_scwrl_68519774.seq -o /var/tmp/from_scwrl_68519774.pdb > /var/tmp/scwrl_68519774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68519774.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 T0370 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_452733818.pdb -s /var/tmp/to_scwrl_452733818.seq -o /var/tmp/from_scwrl_452733818.pdb > /var/tmp/scwrl_452733818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452733818.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1535405544.pdb -s /var/tmp/to_scwrl_1535405544.seq -o /var/tmp/from_scwrl_1535405544.pdb > /var/tmp/scwrl_1535405544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535405544.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 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_927706287.pdb -s /var/tmp/to_scwrl_927706287.seq -o /var/tmp/from_scwrl_927706287.pdb > /var/tmp/scwrl_927706287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927706287.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_326248564.pdb -s /var/tmp/to_scwrl_326248564.seq -o /var/tmp/from_scwrl_326248564.pdb > /var/tmp/scwrl_326248564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326248564.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 T0370 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1104791219.pdb -s /var/tmp/to_scwrl_1104791219.seq -o /var/tmp/from_scwrl_1104791219.pdb > /var/tmp/scwrl_1104791219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104791219.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_431552307.pdb -s /var/tmp/to_scwrl_431552307.seq -o /var/tmp/from_scwrl_431552307.pdb > /var/tmp/scwrl_431552307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431552307.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1119126913.pdb -s /var/tmp/to_scwrl_1119126913.seq -o /var/tmp/from_scwrl_1119126913.pdb > /var/tmp/scwrl_1119126913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119126913.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_600009881.pdb -s /var/tmp/to_scwrl_600009881.seq -o /var/tmp/from_scwrl_600009881.pdb > /var/tmp/scwrl_600009881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600009881.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_974201993.pdb -s /var/tmp/to_scwrl_974201993.seq -o /var/tmp/from_scwrl_974201993.pdb > /var/tmp/scwrl_974201993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974201993.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1876570997.pdb -s /var/tmp/to_scwrl_1876570997.seq -o /var/tmp/from_scwrl_1876570997.pdb > /var/tmp/scwrl_1876570997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876570997.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1768031835.pdb -s /var/tmp/to_scwrl_1768031835.seq -o /var/tmp/from_scwrl_1768031835.pdb > /var/tmp/scwrl_1768031835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768031835.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_333894709.pdb -s /var/tmp/to_scwrl_333894709.seq -o /var/tmp/from_scwrl_333894709.pdb > /var/tmp/scwrl_333894709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_333894709.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 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1288627406.pdb -s /var/tmp/to_scwrl_1288627406.seq -o /var/tmp/from_scwrl_1288627406.pdb > /var/tmp/scwrl_1288627406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288627406.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 145 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2020502653.pdb -s /var/tmp/to_scwrl_2020502653.seq -o /var/tmp/from_scwrl_2020502653.pdb > /var/tmp/scwrl_2020502653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020502653.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 59 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1770390361.pdb -s /var/tmp/to_scwrl_1770390361.seq -o /var/tmp/from_scwrl_1770390361.pdb > /var/tmp/scwrl_1770390361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770390361.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 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1811471755.pdb -s /var/tmp/to_scwrl_1811471755.seq -o /var/tmp/from_scwrl_1811471755.pdb > /var/tmp/scwrl_1811471755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811471755.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 153 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_97728254.pdb -s /var/tmp/to_scwrl_97728254.seq -o /var/tmp/from_scwrl_97728254.pdb > /var/tmp/scwrl_97728254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97728254.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2044783895.pdb -s /var/tmp/to_scwrl_2044783895.seq -o /var/tmp/from_scwrl_2044783895.pdb > /var/tmp/scwrl_2044783895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044783895.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1413620103.pdb -s /var/tmp/to_scwrl_1413620103.seq -o /var/tmp/from_scwrl_1413620103.pdb > /var/tmp/scwrl_1413620103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413620103.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_189597031.pdb -s /var/tmp/to_scwrl_189597031.seq -o /var/tmp/from_scwrl_189597031.pdb > /var/tmp/scwrl_189597031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_189597031.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1655788817.pdb -s /var/tmp/to_scwrl_1655788817.seq -o /var/tmp/from_scwrl_1655788817.pdb > /var/tmp/scwrl_1655788817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1655788817.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1821239930.pdb -s /var/tmp/to_scwrl_1821239930.seq -o /var/tmp/from_scwrl_1821239930.pdb > /var/tmp/scwrl_1821239930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1821239930.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_918272591.pdb -s /var/tmp/to_scwrl_918272591.seq -o /var/tmp/from_scwrl_918272591.pdb > /var/tmp/scwrl_918272591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918272591.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_994300253.pdb -s /var/tmp/to_scwrl_994300253.seq -o /var/tmp/from_scwrl_994300253.pdb > /var/tmp/scwrl_994300253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994300253.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1351919866.pdb -s /var/tmp/to_scwrl_1351919866.seq -o /var/tmp/from_scwrl_1351919866.pdb > /var/tmp/scwrl_1351919866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1351919866.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1384073381.pdb -s /var/tmp/to_scwrl_1384073381.seq -o /var/tmp/from_scwrl_1384073381.pdb > /var/tmp/scwrl_1384073381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384073381.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1332530120.pdb -s /var/tmp/to_scwrl_1332530120.seq -o /var/tmp/from_scwrl_1332530120.pdb > /var/tmp/scwrl_1332530120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332530120.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_510806898.pdb -s /var/tmp/to_scwrl_510806898.seq -o /var/tmp/from_scwrl_510806898.pdb > /var/tmp/scwrl_510806898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510806898.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 139 ; scwrl3 -i /var/tmp/to_scwrl_1767249594.pdb -s /var/tmp/to_scwrl_1767249594.seq -o /var/tmp/from_scwrl_1767249594.pdb > /var/tmp/scwrl_1767249594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767249594.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 139 ; scwrl3 -i /var/tmp/to_scwrl_1421083137.pdb -s /var/tmp/to_scwrl_1421083137.seq -o /var/tmp/from_scwrl_1421083137.pdb > /var/tmp/scwrl_1421083137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421083137.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 139 ; scwrl3 -i /var/tmp/to_scwrl_579326672.pdb -s /var/tmp/to_scwrl_579326672.seq -o /var/tmp/from_scwrl_579326672.pdb > /var/tmp/scwrl_579326672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579326672.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 139 ; scwrl3 -i /var/tmp/to_scwrl_72499765.pdb -s /var/tmp/to_scwrl_72499765.seq -o /var/tmp/from_scwrl_72499765.pdb > /var/tmp/scwrl_72499765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_72499765.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 139 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_809005035.pdb -s /var/tmp/to_scwrl_809005035.seq -o /var/tmp/from_scwrl_809005035.pdb > /var/tmp/scwrl_809005035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_809005035.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 139 ; scwrl3 -i /var/tmp/to_scwrl_1507032958.pdb -s /var/tmp/to_scwrl_1507032958.seq -o /var/tmp/from_scwrl_1507032958.pdb > /var/tmp/scwrl_1507032958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1507032958.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 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_398748330.pdb -s /var/tmp/to_scwrl_398748330.seq -o /var/tmp/from_scwrl_398748330.pdb > /var/tmp/scwrl_398748330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398748330.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 139 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1913796254.pdb -s /var/tmp/to_scwrl_1913796254.seq -o /var/tmp/from_scwrl_1913796254.pdb > /var/tmp/scwrl_1913796254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913796254.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1938585265.pdb -s /var/tmp/to_scwrl_1938585265.seq -o /var/tmp/from_scwrl_1938585265.pdb > /var/tmp/scwrl_1938585265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1938585265.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1517875243.pdb -s /var/tmp/to_scwrl_1517875243.seq -o /var/tmp/from_scwrl_1517875243.pdb > /var/tmp/scwrl_1517875243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517875243.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_366322488.pdb -s /var/tmp/to_scwrl_366322488.seq -o /var/tmp/from_scwrl_366322488.pdb > /var/tmp/scwrl_366322488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366322488.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_765303611.pdb -s /var/tmp/to_scwrl_765303611.seq -o /var/tmp/from_scwrl_765303611.pdb > /var/tmp/scwrl_765303611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765303611.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1246962593.pdb -s /var/tmp/to_scwrl_1246962593.seq -o /var/tmp/from_scwrl_1246962593.pdb > /var/tmp/scwrl_1246962593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246962593.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2134354323.pdb -s /var/tmp/to_scwrl_2134354323.seq -o /var/tmp/from_scwrl_2134354323.pdb > /var/tmp/scwrl_2134354323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134354323.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 T0370 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1099198319.pdb -s /var/tmp/to_scwrl_1099198319.seq -o /var/tmp/from_scwrl_1099198319.pdb > /var/tmp/scwrl_1099198319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1099198319.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_388106354.pdb -s /var/tmp/to_scwrl_388106354.seq -o /var/tmp/from_scwrl_388106354.pdb > /var/tmp/scwrl_388106354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_388106354.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2007373329.pdb -s /var/tmp/to_scwrl_2007373329.seq -o /var/tmp/from_scwrl_2007373329.pdb > /var/tmp/scwrl_2007373329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007373329.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_722105034.pdb -s /var/tmp/to_scwrl_722105034.seq -o /var/tmp/from_scwrl_722105034.pdb > /var/tmp/scwrl_722105034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722105034.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_52094462.pdb -s /var/tmp/to_scwrl_52094462.seq -o /var/tmp/from_scwrl_52094462.pdb > /var/tmp/scwrl_52094462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_52094462.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2105101583.pdb -s /var/tmp/to_scwrl_2105101583.seq -o /var/tmp/from_scwrl_2105101583.pdb > /var/tmp/scwrl_2105101583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105101583.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_619405282.pdb -s /var/tmp/to_scwrl_619405282.seq -o /var/tmp/from_scwrl_619405282.pdb > /var/tmp/scwrl_619405282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_619405282.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1465714566.pdb -s /var/tmp/to_scwrl_1465714566.seq -o /var/tmp/from_scwrl_1465714566.pdb > /var/tmp/scwrl_1465714566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465714566.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_147214967.pdb -s /var/tmp/to_scwrl_147214967.seq -o /var/tmp/from_scwrl_147214967.pdb > /var/tmp/scwrl_147214967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147214967.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_127710453.pdb -s /var/tmp/to_scwrl_127710453.seq -o /var/tmp/from_scwrl_127710453.pdb > /var/tmp/scwrl_127710453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127710453.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1139470849.pdb -s /var/tmp/to_scwrl_1139470849.seq -o /var/tmp/from_scwrl_1139470849.pdb > /var/tmp/scwrl_1139470849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139470849.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1065487558.pdb -s /var/tmp/to_scwrl_1065487558.seq -o /var/tmp/from_scwrl_1065487558.pdb > /var/tmp/scwrl_1065487558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1065487558.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1122010705.pdb -s /var/tmp/to_scwrl_1122010705.seq -o /var/tmp/from_scwrl_1122010705.pdb > /var/tmp/scwrl_1122010705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122010705.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 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_343907069.pdb -s /var/tmp/to_scwrl_343907069.seq -o /var/tmp/from_scwrl_343907069.pdb > /var/tmp/scwrl_343907069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_343907069.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_302077293.pdb -s /var/tmp/to_scwrl_302077293.seq -o /var/tmp/from_scwrl_302077293.pdb > /var/tmp/scwrl_302077293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_302077293.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 145 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_307057179.pdb -s /var/tmp/to_scwrl_307057179.seq -o /var/tmp/from_scwrl_307057179.pdb > /var/tmp/scwrl_307057179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_307057179.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_854713967.pdb -s /var/tmp/to_scwrl_854713967.seq -o /var/tmp/from_scwrl_854713967.pdb > /var/tmp/scwrl_854713967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854713967.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2069326887.pdb -s /var/tmp/to_scwrl_2069326887.seq -o /var/tmp/from_scwrl_2069326887.pdb > /var/tmp/scwrl_2069326887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069326887.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 149 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1728140316.pdb -s /var/tmp/to_scwrl_1728140316.seq -o /var/tmp/from_scwrl_1728140316.pdb > /var/tmp/scwrl_1728140316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728140316.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 145 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1434040638.pdb -s /var/tmp/to_scwrl_1434040638.seq -o /var/tmp/from_scwrl_1434040638.pdb > /var/tmp/scwrl_1434040638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434040638.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 97 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2141826653.pdb -s /var/tmp/to_scwrl_2141826653.seq -o /var/tmp/from_scwrl_2141826653.pdb > /var/tmp/scwrl_2141826653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141826653.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 47 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_389661704.pdb -s /var/tmp/to_scwrl_389661704.seq -o /var/tmp/from_scwrl_389661704.pdb > /var/tmp/scwrl_389661704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389661704.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 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_793589950.pdb -s /var/tmp/to_scwrl_793589950.seq -o /var/tmp/from_scwrl_793589950.pdb > /var/tmp/scwrl_793589950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793589950.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 # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_393091336.pdb -s /var/tmp/to_scwrl_393091336.seq -o /var/tmp/from_scwrl_393091336.pdb > /var/tmp/scwrl_393091336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_393091336.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 91 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_155974311.pdb -s /var/tmp/to_scwrl_155974311.seq -o /var/tmp/from_scwrl_155974311.pdb > /var/tmp/scwrl_155974311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155974311.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 83 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_584691568.pdb -s /var/tmp/to_scwrl_584691568.seq -o /var/tmp/from_scwrl_584691568.pdb > /var/tmp/scwrl_584691568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584691568.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 80 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1910966579.pdb -s /var/tmp/to_scwrl_1910966579.seq -o /var/tmp/from_scwrl_1910966579.pdb > /var/tmp/scwrl_1910966579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910966579.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 146 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_522296799.pdb -s /var/tmp/to_scwrl_522296799.seq -o /var/tmp/from_scwrl_522296799.pdb > /var/tmp/scwrl_522296799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522296799.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 134 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1349995178.pdb -s /var/tmp/to_scwrl_1349995178.seq -o /var/tmp/from_scwrl_1349995178.pdb > /var/tmp/scwrl_1349995178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349995178.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 134 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1010445526.pdb -s /var/tmp/to_scwrl_1010445526.seq -o /var/tmp/from_scwrl_1010445526.pdb > /var/tmp/scwrl_1010445526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010445526.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 76 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_509167475.pdb -s /var/tmp/to_scwrl_509167475.seq -o /var/tmp/from_scwrl_509167475.pdb > /var/tmp/scwrl_509167475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509167475.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 134 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_301709851.pdb -s /var/tmp/to_scwrl_301709851.seq -o /var/tmp/from_scwrl_301709851.pdb > /var/tmp/scwrl_301709851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301709851.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 92 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1398551879.pdb -s /var/tmp/to_scwrl_1398551879.seq -o /var/tmp/from_scwrl_1398551879.pdb > /var/tmp/scwrl_1398551879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1398551879.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 75 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_369057157.pdb -s /var/tmp/to_scwrl_369057157.seq -o /var/tmp/from_scwrl_369057157.pdb > /var/tmp/scwrl_369057157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369057157.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 50 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1023814885.pdb -s /var/tmp/to_scwrl_1023814885.seq -o /var/tmp/from_scwrl_1023814885.pdb > /var/tmp/scwrl_1023814885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023814885.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 # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1450646342.pdb -s /var/tmp/to_scwrl_1450646342.seq -o /var/tmp/from_scwrl_1450646342.pdb > /var/tmp/scwrl_1450646342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450646342.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 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_326675093.pdb -s /var/tmp/to_scwrl_326675093.seq -o /var/tmp/from_scwrl_326675093.pdb > /var/tmp/scwrl_326675093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326675093.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 Skipped atom 169, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1643220167.pdb -s /var/tmp/to_scwrl_1643220167.seq -o /var/tmp/from_scwrl_1643220167.pdb > /var/tmp/scwrl_1643220167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643220167.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 T0370 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_768877262.pdb -s /var/tmp/to_scwrl_768877262.seq -o /var/tmp/from_scwrl_768877262.pdb > /var/tmp/scwrl_768877262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768877262.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_473890061.pdb -s /var/tmp/to_scwrl_473890061.seq -o /var/tmp/from_scwrl_473890061.pdb > /var/tmp/scwrl_473890061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473890061.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 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1770930620.pdb -s /var/tmp/to_scwrl_1770930620.seq -o /var/tmp/from_scwrl_1770930620.pdb > /var/tmp/scwrl_1770930620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770930620.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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1908348111.pdb -s /var/tmp/to_scwrl_1908348111.seq -o /var/tmp/from_scwrl_1908348111.pdb > /var/tmp/scwrl_1908348111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908348111.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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1539377618.pdb -s /var/tmp/to_scwrl_1539377618.seq -o /var/tmp/from_scwrl_1539377618.pdb > /var/tmp/scwrl_1539377618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539377618.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 T0370 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 139 ; scwrl3 -i /var/tmp/to_scwrl_745457679.pdb -s /var/tmp/to_scwrl_745457679.seq -o /var/tmp/from_scwrl_745457679.pdb > /var/tmp/scwrl_745457679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745457679.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 T0370 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 139 ; scwrl3 -i /var/tmp/to_scwrl_104771533.pdb -s /var/tmp/to_scwrl_104771533.seq -o /var/tmp/from_scwrl_104771533.pdb > /var/tmp/scwrl_104771533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104771533.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 T0370 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 139 ; scwrl3 -i /var/tmp/to_scwrl_1841454911.pdb -s /var/tmp/to_scwrl_1841454911.seq -o /var/tmp/from_scwrl_1841454911.pdb > /var/tmp/scwrl_1841454911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841454911.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 148 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1052514858.pdb -s /var/tmp/to_scwrl_1052514858.seq -o /var/tmp/from_scwrl_1052514858.pdb > /var/tmp/scwrl_1052514858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1052514858.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 T0370 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_959485500.pdb -s /var/tmp/to_scwrl_959485500.seq -o /var/tmp/from_scwrl_959485500.pdb > /var/tmp/scwrl_959485500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959485500.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 T0370 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1763298152.pdb -s /var/tmp/to_scwrl_1763298152.seq -o /var/tmp/from_scwrl_1763298152.pdb > /var/tmp/scwrl_1763298152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763298152.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 T0370 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_633171528.pdb -s /var/tmp/to_scwrl_633171528.seq -o /var/tmp/from_scwrl_633171528.pdb > /var/tmp/scwrl_633171528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633171528.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 T0370 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_246042491.pdb -s /var/tmp/to_scwrl_246042491.seq -o /var/tmp/from_scwrl_246042491.pdb > /var/tmp/scwrl_246042491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246042491.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1757641158.pdb -s /var/tmp/to_scwrl_1757641158.seq -o /var/tmp/from_scwrl_1757641158.pdb > /var/tmp/scwrl_1757641158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757641158.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 # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1022833232.pdb -s /var/tmp/to_scwrl_1022833232.seq -o /var/tmp/from_scwrl_1022833232.pdb > /var/tmp/scwrl_1022833232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1022833232.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 38 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1039632441.pdb -s /var/tmp/to_scwrl_1039632441.seq -o /var/tmp/from_scwrl_1039632441.pdb > /var/tmp/scwrl_1039632441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039632441.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 114 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_3248847.pdb -s /var/tmp/to_scwrl_3248847.seq -o /var/tmp/from_scwrl_3248847.pdb > /var/tmp/scwrl_3248847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3248847.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 113 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1178807543.pdb -s /var/tmp/to_scwrl_1178807543.seq -o /var/tmp/from_scwrl_1178807543.pdb > /var/tmp/scwrl_1178807543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178807543.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1624324008.pdb -s /var/tmp/to_scwrl_1624324008.seq -o /var/tmp/from_scwrl_1624324008.pdb > /var/tmp/scwrl_1624324008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624324008.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 38 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1914215426.pdb -s /var/tmp/to_scwrl_1914215426.seq -o /var/tmp/from_scwrl_1914215426.pdb > /var/tmp/scwrl_1914215426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914215426.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 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1701104342.pdb -s /var/tmp/to_scwrl_1701104342.seq -o /var/tmp/from_scwrl_1701104342.pdb > /var/tmp/scwrl_1701104342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701104342.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 114 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_826835540.pdb -s /var/tmp/to_scwrl_826835540.seq -o /var/tmp/from_scwrl_826835540.pdb > /var/tmp/scwrl_826835540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826835540.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 109 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_777177305.pdb -s /var/tmp/to_scwrl_777177305.seq -o /var/tmp/from_scwrl_777177305.pdb > /var/tmp/scwrl_777177305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777177305.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_62788171.pdb -s /var/tmp/to_scwrl_62788171.seq -o /var/tmp/from_scwrl_62788171.pdb > /var/tmp/scwrl_62788171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_62788171.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 69 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1128545390.pdb -s /var/tmp/to_scwrl_1128545390.seq -o /var/tmp/from_scwrl_1128545390.pdb > /var/tmp/scwrl_1128545390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128545390.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 38 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_28245538.pdb -s /var/tmp/to_scwrl_28245538.seq -o /var/tmp/from_scwrl_28245538.pdb > /var/tmp/scwrl_28245538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28245538.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 117 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_431845328.pdb -s /var/tmp/to_scwrl_431845328.seq -o /var/tmp/from_scwrl_431845328.pdb > /var/tmp/scwrl_431845328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431845328.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_4876628.pdb -s /var/tmp/to_scwrl_4876628.seq -o /var/tmp/from_scwrl_4876628.pdb > /var/tmp/scwrl_4876628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4876628.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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1478891880.pdb -s /var/tmp/to_scwrl_1478891880.seq -o /var/tmp/from_scwrl_1478891880.pdb > /var/tmp/scwrl_1478891880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478891880.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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_758520422.pdb -s /var/tmp/to_scwrl_758520422.seq -o /var/tmp/from_scwrl_758520422.pdb > /var/tmp/scwrl_758520422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758520422.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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1648096795.pdb -s /var/tmp/to_scwrl_1648096795.seq -o /var/tmp/from_scwrl_1648096795.pdb > /var/tmp/scwrl_1648096795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1648096795.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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_100285495.pdb -s /var/tmp/to_scwrl_100285495.seq -o /var/tmp/from_scwrl_100285495.pdb > /var/tmp/scwrl_100285495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100285495.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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1232410482.pdb -s /var/tmp/to_scwrl_1232410482.seq -o /var/tmp/from_scwrl_1232410482.pdb > /var/tmp/scwrl_1232410482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1232410482.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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1271543768.pdb -s /var/tmp/to_scwrl_1271543768.seq -o /var/tmp/from_scwrl_1271543768.pdb > /var/tmp/scwrl_1271543768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1271543768.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 Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2008633606.pdb -s /var/tmp/to_scwrl_2008633606.seq -o /var/tmp/from_scwrl_2008633606.pdb > /var/tmp/scwrl_2008633606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008633606.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 Skipped atom 169, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_624304454.pdb -s /var/tmp/to_scwrl_624304454.seq -o /var/tmp/from_scwrl_624304454.pdb > /var/tmp/scwrl_624304454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624304454.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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2017001447.pdb -s /var/tmp/to_scwrl_2017001447.seq -o /var/tmp/from_scwrl_2017001447.pdb > /var/tmp/scwrl_2017001447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017001447.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 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2113405139.pdb -s /var/tmp/to_scwrl_2113405139.seq -o /var/tmp/from_scwrl_2113405139.pdb > /var/tmp/scwrl_2113405139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113405139.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 T0370 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_318275719.pdb -s /var/tmp/to_scwrl_318275719.seq -o /var/tmp/from_scwrl_318275719.pdb > /var/tmp/scwrl_318275719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318275719.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 152 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_922032659.pdb -s /var/tmp/to_scwrl_922032659.seq -o /var/tmp/from_scwrl_922032659.pdb > /var/tmp/scwrl_922032659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922032659.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 151 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_925406992.pdb -s /var/tmp/to_scwrl_925406992.seq -o /var/tmp/from_scwrl_925406992.pdb > /var/tmp/scwrl_925406992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925406992.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 151 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2081573871.pdb -s /var/tmp/to_scwrl_2081573871.seq -o /var/tmp/from_scwrl_2081573871.pdb > /var/tmp/scwrl_2081573871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081573871.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 152 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1555204186.pdb -s /var/tmp/to_scwrl_1555204186.seq -o /var/tmp/from_scwrl_1555204186.pdb > /var/tmp/scwrl_1555204186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555204186.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 136 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1171449482.pdb -s /var/tmp/to_scwrl_1171449482.seq -o /var/tmp/from_scwrl_1171449482.pdb > /var/tmp/scwrl_1171449482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171449482.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 151 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1691731382.pdb -s /var/tmp/to_scwrl_1691731382.seq -o /var/tmp/from_scwrl_1691731382.pdb > /var/tmp/scwrl_1691731382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1691731382.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_430553771.pdb -s /var/tmp/to_scwrl_430553771.seq -o /var/tmp/from_scwrl_430553771.pdb > /var/tmp/scwrl_430553771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_430553771.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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_63598276.pdb -s /var/tmp/to_scwrl_63598276.seq -o /var/tmp/from_scwrl_63598276.pdb > /var/tmp/scwrl_63598276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63598276.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 T0370 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1694980229.pdb -s /var/tmp/to_scwrl_1694980229.seq -o /var/tmp/from_scwrl_1694980229.pdb > /var/tmp/scwrl_1694980229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1694980229.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 433, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 434, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 435, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 436, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 441, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 442, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 443, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 444, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 449, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 451, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 457, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 459, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 465, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 466, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 467, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 468, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 473, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 475, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 481, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 483, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 489, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 491, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 497, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 499, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 505, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 507, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 513, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 515, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 521, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 523, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 529, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 531, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1609361314.pdb -s /var/tmp/to_scwrl_1609361314.seq -o /var/tmp/from_scwrl_1609361314.pdb > /var/tmp/scwrl_1609361314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609361314.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 T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1687922284.pdb -s /var/tmp/to_scwrl_1687922284.seq -o /var/tmp/from_scwrl_1687922284.pdb > /var/tmp/scwrl_1687922284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687922284.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 T0370 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1461712008.pdb -s /var/tmp/to_scwrl_1461712008.seq -o /var/tmp/from_scwrl_1461712008.pdb > /var/tmp/scwrl_1461712008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1461712008.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1162982010.pdb -s /var/tmp/to_scwrl_1162982010.seq -o /var/tmp/from_scwrl_1162982010.pdb > /var/tmp/scwrl_1162982010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162982010.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 120 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_367274177.pdb -s /var/tmp/to_scwrl_367274177.seq -o /var/tmp/from_scwrl_367274177.pdb > /var/tmp/scwrl_367274177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367274177.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 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_91405666.pdb -s /var/tmp/to_scwrl_91405666.seq -o /var/tmp/from_scwrl_91405666.pdb > /var/tmp/scwrl_91405666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91405666.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 # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1225770181.pdb -s /var/tmp/to_scwrl_1225770181.seq -o /var/tmp/from_scwrl_1225770181.pdb > /var/tmp/scwrl_1225770181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225770181.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1495819567.pdb -s /var/tmp/to_scwrl_1495819567.seq -o /var/tmp/from_scwrl_1495819567.pdb > /var/tmp/scwrl_1495819567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1495819567.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 WARNING: atoms too close: (T0370)T117.O and (T0370)T118.N only 0.000 apart, marking (T0370)T118.N as missing # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_119651204.pdb -s /var/tmp/to_scwrl_119651204.seq -o /var/tmp/from_scwrl_119651204.pdb > /var/tmp/scwrl_119651204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_119651204.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 152 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1657615509.pdb -s /var/tmp/to_scwrl_1657615509.seq -o /var/tmp/from_scwrl_1657615509.pdb > /var/tmp/scwrl_1657615509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657615509.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 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1500696195.pdb -s /var/tmp/to_scwrl_1500696195.seq -o /var/tmp/from_scwrl_1500696195.pdb > /var/tmp/scwrl_1500696195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500696195.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1598543084.pdb -s /var/tmp/to_scwrl_1598543084.seq -o /var/tmp/from_scwrl_1598543084.pdb > /var/tmp/scwrl_1598543084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598543084.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_268652284.pdb -s /var/tmp/to_scwrl_268652284.seq -o /var/tmp/from_scwrl_268652284.pdb > /var/tmp/scwrl_268652284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268652284.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 T0370 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1001309345.pdb -s /var/tmp/to_scwrl_1001309345.seq -o /var/tmp/from_scwrl_1001309345.pdb > /var/tmp/scwrl_1001309345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1001309345.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1698828579.pdb -s /var/tmp/to_scwrl_1698828579.seq -o /var/tmp/from_scwrl_1698828579.pdb > /var/tmp/scwrl_1698828579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698828579.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1501062766.pdb -s /var/tmp/to_scwrl_1501062766.seq -o /var/tmp/from_scwrl_1501062766.pdb > /var/tmp/scwrl_1501062766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501062766.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_125369466.pdb -s /var/tmp/to_scwrl_125369466.seq -o /var/tmp/from_scwrl_125369466.pdb > /var/tmp/scwrl_125369466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_125369466.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 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1559978538.pdb -s /var/tmp/to_scwrl_1559978538.seq -o /var/tmp/from_scwrl_1559978538.pdb > /var/tmp/scwrl_1559978538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559978538.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2125367221.pdb -s /var/tmp/to_scwrl_2125367221.seq -o /var/tmp/from_scwrl_2125367221.pdb > /var/tmp/scwrl_2125367221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125367221.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_2142370914.pdb -s /var/tmp/to_scwrl_2142370914.seq -o /var/tmp/from_scwrl_2142370914.pdb > /var/tmp/scwrl_2142370914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142370914.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1525900030.pdb -s /var/tmp/to_scwrl_1525900030.seq -o /var/tmp/from_scwrl_1525900030.pdb > /var/tmp/scwrl_1525900030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525900030.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_296159293.pdb -s /var/tmp/to_scwrl_296159293.seq -o /var/tmp/from_scwrl_296159293.pdb > /var/tmp/scwrl_296159293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296159293.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_916919926.pdb -s /var/tmp/to_scwrl_916919926.seq -o /var/tmp/from_scwrl_916919926.pdb > /var/tmp/scwrl_916919926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916919926.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_303823375.pdb -s /var/tmp/to_scwrl_303823375.seq -o /var/tmp/from_scwrl_303823375.pdb > /var/tmp/scwrl_303823375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_303823375.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 T0370 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_230249517.pdb -s /var/tmp/to_scwrl_230249517.seq -o /var/tmp/from_scwrl_230249517.pdb > /var/tmp/scwrl_230249517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230249517.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 T0370 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_324640465.pdb -s /var/tmp/to_scwrl_324640465.seq -o /var/tmp/from_scwrl_324640465.pdb > /var/tmp/scwrl_324640465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324640465.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 T0370 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1475272857.pdb -s /var/tmp/to_scwrl_1475272857.seq -o /var/tmp/from_scwrl_1475272857.pdb > /var/tmp/scwrl_1475272857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475272857.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 T0370 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1921980899.pdb -s /var/tmp/to_scwrl_1921980899.seq -o /var/tmp/from_scwrl_1921980899.pdb > /var/tmp/scwrl_1921980899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921980899.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 T0370 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_755194236.pdb -s /var/tmp/to_scwrl_755194236.seq -o /var/tmp/from_scwrl_755194236.pdb > /var/tmp/scwrl_755194236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755194236.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1538871133.pdb -s /var/tmp/to_scwrl_1538871133.seq -o /var/tmp/from_scwrl_1538871133.pdb > /var/tmp/scwrl_1538871133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538871133.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_1469477481.pdb -s /var/tmp/to_scwrl_1469477481.seq -o /var/tmp/from_scwrl_1469477481.pdb > /var/tmp/scwrl_1469477481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469477481.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0370 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 139 ; scwrl3 -i /var/tmp/to_scwrl_217071904.pdb -s /var/tmp/to_scwrl_217071904.seq -o /var/tmp/from_scwrl_217071904.pdb > /var/tmp/scwrl_217071904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217071904.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 120.564 sec, elapsed time= 1541.894 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 79.090 real_cost = -28.673 shub_TS1 costs 79.090 real_cost = -29.663 panther3_TS1-scwrl costs 130.975 real_cost = 497.549 panther3_TS1 costs 130.967 real_cost = 497.464 panther2_TS1-scwrl costs 94.228 real_cost = 303.346 panther2_TS1 costs 94.236 real_cost = 313.982 nFOLD_TS5-scwrl costs 76.569 real_cost = 54.347 nFOLD_TS5 costs 76.549 real_cost = 103.847 nFOLD_TS4-scwrl costs 68.611 real_cost = 29.291 nFOLD_TS4 costs 68.681 real_cost = 88.497 nFOLD_TS3-scwrl costs 72.209 real_cost = 47.193 nFOLD_TS3 costs 72.223 real_cost = 103.466 nFOLD_TS2-scwrl costs 65.740 real_cost = 44.301 nFOLD_TS2 costs 65.750 real_cost = 97.884 nFOLD_TS1-scwrl costs 67.991 real_cost = 36.178 nFOLD_TS1 costs 67.979 real_cost = 84.693 mGen-3D_TS1-scwrl costs 69.051 real_cost = -5.207 mGen-3D_TS1 costs 68.969 real_cost = 60.630 keasar-server_TS5-scwrl costs 69.707 real_cost = 55.042 keasar-server_TS5 costs 69.707 real_cost = 69.098 keasar-server_TS4-scwrl costs 74.007 real_cost = 39.687 keasar-server_TS4 costs 74.007 real_cost = 54.396 keasar-server_TS3-scwrl costs 71.932 real_cost = 67.725 keasar-server_TS3 costs 71.932 real_cost = 83.377 keasar-server_TS2-scwrl costs 86.428 real_cost = 70.696 keasar-server_TS2 costs 86.428 real_cost = 82.405 keasar-server_TS1-scwrl costs 64.901 real_cost = 39.246 keasar-server_TS1 costs 64.901 real_cost = 46.988 karypis.srv_TS5-scwrl costs 81.881 real_cost = 213.891 karypis.srv_TS5 costs 81.881 real_cost = 213.891 karypis.srv_TS4-scwrl costs 67.857 real_cost = 77.004 karypis.srv_TS4 costs 67.820 real_cost = 71.044 karypis.srv_TS3-scwrl costs 59.895 real_cost = 74.991 karypis.srv_TS3 costs 59.895 real_cost = 75.343 karypis.srv_TS2-scwrl costs 63.338 real_cost = 81.467 karypis.srv_TS2 costs 63.338 real_cost = 81.466 karypis.srv_TS1-scwrl costs 49.413 real_cost = -46.009 karypis.srv_TS1 costs 49.465 real_cost = -52.859 karypis.srv.4_TS5-scwrl costs 129.894 real_cost = 284.730 karypis.srv.4_TS5 costs 129.894 real_cost = 284.730 karypis.srv.4_TS4-scwrl costs 153.056 real_cost = 305.700 karypis.srv.4_TS4 costs 153.056 real_cost = 305.400 karypis.srv.4_TS3-scwrl costs 145.517 real_cost = 324.818 karypis.srv.4_TS3 costs 145.517 real_cost = 324.770 karypis.srv.4_TS2-scwrl costs 154.118 real_cost = 333.059 karypis.srv.4_TS2 costs 154.118 real_cost = 333.060 karypis.srv.4_TS1-scwrl costs 146.169 real_cost = 330.825 karypis.srv.4_TS1 costs 146.169 real_cost = 331.233 karypis.srv.2_TS5-scwrl costs 61.005 real_cost = 44.011 karypis.srv.2_TS5 costs 61.005 real_cost = 44.011 karypis.srv.2_TS4-scwrl costs 82.029 real_cost = -12.670 karypis.srv.2_TS4 costs 82.029 real_cost = -12.670 karypis.srv.2_TS3-scwrl costs 84.094 real_cost = -1.170 karypis.srv.2_TS3 costs 84.094 real_cost = -1.170 karypis.srv.2_TS2-scwrl costs 81.774 real_cost = -4.784 karypis.srv.2_TS2 costs 81.774 real_cost = -4.784 karypis.srv.2_TS1-scwrl costs 71.329 real_cost = 10.181 karypis.srv.2_TS1 costs 71.329 real_cost = 10.181 forecast-s_AL5-scwrl costs 113.246 real_cost = 309.951 forecast-s_AL5 costs 113.301 real_cost = 367.301 forecast-s_AL4-scwrl costs 97.986 real_cost = 333.639 forecast-s_AL4 costs 97.986 real_cost = 337.129 forecast-s_AL3-scwrl costs 124.818 real_cost = 333.133 forecast-s_AL3 costs 124.784 real_cost = 420.600 forecast-s_AL2-scwrl costs 80.843 real_cost = 130.749 forecast-s_AL2 costs 80.826 real_cost = 177.138 forecast-s_AL1-scwrl costs 83.150 real_cost = 108.144 forecast-s_AL1 costs 83.150 real_cost = 209.133 beautshotbase_TS1-scwrl costs 66.501 real_cost = -20.062 beautshotbase_TS1 costs 66.501 real_cost = -27.735 beautshot_TS1-scwrl costs 86.765 real_cost = 0.493 beautshot_TS1 costs 86.765 real_cost = -10.708 Zhang-Server_TS5-scwrl costs 57.752 real_cost = -39.722 Zhang-Server_TS5 costs 57.752 real_cost = -39.722 Zhang-Server_TS4-scwrl costs 58.753 real_cost = -58.787 Zhang-Server_TS4 costs 58.753 real_cost = -57.630 Zhang-Server_TS3-scwrl costs 61.209 real_cost = -20.925 Zhang-Server_TS3 costs 61.209 real_cost = -23.065 Zhang-Server_TS2-scwrl costs 55.970 real_cost = -37.791 Zhang-Server_TS2 costs 55.970 real_cost = -36.580 Zhang-Server_TS1-scwrl costs 50.784 real_cost = -46.688 Zhang-Server_TS1 costs 50.784 real_cost = -46.688 UNI-EID_sfst_AL5-scwrl costs 65.454 real_cost = 32.102 UNI-EID_sfst_AL5 costs 65.450 real_cost = 85.414 UNI-EID_sfst_AL4-scwrl costs 68.746 real_cost = 22.397 UNI-EID_sfst_AL4 costs 68.749 real_cost = 92.021 UNI-EID_sfst_AL3-scwrl costs 64.606 real_cost = -24.818 UNI-EID_sfst_AL3 costs 64.547 real_cost = 51.966 UNI-EID_sfst_AL2-scwrl costs 64.342 real_cost = 37.417 UNI-EID_sfst_AL2 costs 64.362 real_cost = 105.438 UNI-EID_sfst_AL1-scwrl costs 58.452 real_cost = -16.509 UNI-EID_sfst_AL1 costs 58.437 real_cost = 48.738 UNI-EID_expm_TS1-scwrl costs 82.116 real_cost = -40.747 UNI-EID_expm_TS1 costs 82.128 real_cost = 27.526 UNI-EID_bnmx_TS5-scwrl costs 61.596 real_cost = -27.242 UNI-EID_bnmx_TS5 costs 61.575 real_cost = 43.990 UNI-EID_bnmx_TS4-scwrl costs 67.637 real_cost = 14.333 UNI-EID_bnmx_TS4 costs 67.625 real_cost = 92.876 UNI-EID_bnmx_TS3-scwrl costs 61.633 real_cost = -2.974 UNI-EID_bnmx_TS3 costs 61.606 real_cost = 69.799 UNI-EID_bnmx_TS2-scwrl costs 64.471 real_cost = 33.426 UNI-EID_bnmx_TS2 costs 64.541 real_cost = 102.078 UNI-EID_bnmx_TS1-scwrl costs 64.869 real_cost = 4.753 UNI-EID_bnmx_TS1 costs 64.760 real_cost = 99.334 SPARKS2_TS5-scwrl costs 51.497 real_cost = 17.702 SPARKS2_TS5 costs 51.497 real_cost = 23.001 SPARKS2_TS4-scwrl costs 75.979 real_cost = 64.894 SPARKS2_TS4 costs 75.979 real_cost = 82.540 SPARKS2_TS3-scwrl costs 58.235 real_cost = 21.472 SPARKS2_TS3 costs 58.235 real_cost = 37.765 SPARKS2_TS2-scwrl costs 55.426 real_cost = 43.934 SPARKS2_TS2 costs 55.426 real_cost = 38.674 SPARKS2_TS1-scwrl costs 55.910 real_cost = 33.340 SPARKS2_TS1 costs 55.910 real_cost = 35.289 SP4_TS5-scwrl costs 71.913 real_cost = 70.220 SP4_TS5 costs 71.913 real_cost = 78.197 SP4_TS4-scwrl costs 55.284 real_cost = 29.935 SP4_TS4 costs 55.284 real_cost = 38.965 SP4_TS3-scwrl costs 60.751 real_cost = 35.546 SP4_TS3 costs 60.751 real_cost = 28.911 SP4_TS2-scwrl costs 58.235 real_cost = 21.472 SP4_TS2 costs 58.235 real_cost = 37.765 SP4_TS1-scwrl costs 56.638 real_cost = 20.690 SP4_TS1 costs 56.638 real_cost = 25.432 SP3_TS5-scwrl costs 51.497 real_cost = 17.702 SP3_TS5 costs 51.497 real_cost = 23.001 SP3_TS4-scwrl costs 66.625 real_cost = 87.340 SP3_TS4 costs 66.625 real_cost = 87.921 SP3_TS3-scwrl costs 58.235 real_cost = 21.472 SP3_TS3 costs 58.235 real_cost = 37.765 SP3_TS2-scwrl costs 60.751 real_cost = 35.546 SP3_TS2 costs 60.751 real_cost = 28.911 SP3_TS1-scwrl costs 53.598 real_cost = 21.779 SP3_TS1 costs 53.598 real_cost = 32.451 SAM_T06_server_TS5-scwrl costs 82.201 real_cost = 114.973 SAM_T06_server_TS5 costs 82.235 real_cost = 63.990 SAM_T06_server_TS4-scwrl costs 64.689 real_cost = 28.847 SAM_T06_server_TS4 costs 64.652 real_cost = 23.602 SAM_T06_server_TS3-scwrl costs 66.696 real_cost = 6.904 SAM_T06_server_TS3 costs 66.646 real_cost = -14.710 SAM_T06_server_TS2-scwrl costs 86.304 real_cost = 105.053 SAM_T06_server_TS2 costs 86.479 real_cost = 59.388 SAM_T06_server_TS1-scwrl costs 74.936 real_cost = -3.443 SAM_T06_server_TS1 costs 74.936 real_cost = -0.721 SAM-T99_AL5-scwrl costs 68.987 real_cost = 66.885 SAM-T99_AL5 costs 68.987 real_cost = 186.252 SAM-T99_AL4-scwrl costs 75.596 real_cost = 76.877 SAM-T99_AL4 costs 75.596 real_cost = 192.897 SAM-T99_AL3-scwrl costs 75.115 real_cost = 74.890 SAM-T99_AL3 costs 75.115 real_cost = 193.752 SAM-T99_AL2-scwrl costs 74.366 real_cost = 74.684 SAM-T99_AL2 costs 74.366 real_cost = 192.027 SAM-T99_AL1-scwrl costs 75.106 real_cost = 75.963 SAM-T99_AL1 costs 75.106 real_cost = 194.073 SAM-T02_AL5-scwrl costs 63.197 real_cost = 170.696 SAM-T02_AL5 costs 63.205 real_cost = 235.612 SAM-T02_AL4-scwrl costs 68.820 real_cost = 142.677 SAM-T02_AL4 costs 68.835 real_cost = 208.676 SAM-T02_AL3-scwrl costs 69.714 real_cost = 208.236 SAM-T02_AL3 costs 69.726 real_cost = 268.352 SAM-T02_AL2-scwrl costs 68.405 real_cost = 218.870 SAM-T02_AL2 costs 68.420 real_cost = 272.892 SAM-T02_AL1-scwrl costs 61.430 real_cost = 64.378 SAM-T02_AL1 costs 61.463 real_cost = 149.098 ROKKY_TS5-scwrl costs 62.861 real_cost = 61.788 ROKKY_TS5 costs 62.861 real_cost = 70.767 ROKKY_TS4-scwrl costs 60.514 real_cost = 58.862 ROKKY_TS4 costs 60.514 real_cost = 65.875 ROKKY_TS3-scwrl costs 68.714 real_cost = 69.850 ROKKY_TS3 costs 68.714 real_cost = 83.928 ROKKY_TS2-scwrl costs 55.518 real_cost = 15.505 ROKKY_TS2 costs 55.518 real_cost = 23.858 ROKKY_TS1-scwrl costs 54.310 real_cost = 12.262 ROKKY_TS1 costs 54.310 real_cost = 13.101 ROBETTA_TS5-scwrl costs 61.631 real_cost = 28.842 ROBETTA_TS5 costs 61.631 real_cost = 32.435 ROBETTA_TS4-scwrl costs 63.235 real_cost = 32.397 ROBETTA_TS4 costs 63.235 real_cost = 37.373 ROBETTA_TS3-scwrl costs 61.231 real_cost = 45.754 ROBETTA_TS3 costs 61.231 real_cost = 51.600 ROBETTA_TS2-scwrl costs 73.430 real_cost = 68.236 ROBETTA_TS2 costs 73.430 real_cost = 64.961 ROBETTA_TS1-scwrl costs 58.058 real_cost = 16.609 ROBETTA_TS1 costs 58.058 real_cost = 21.672 RAPTOR_TS5-scwrl costs 57.310 real_cost = -60.590 RAPTOR_TS5 costs 57.310 real_cost = -49.773 RAPTOR_TS4-scwrl costs 59.989 real_cost = 63.048 RAPTOR_TS4 costs 59.989 real_cost = 63.995 RAPTOR_TS3-scwrl costs 59.473 real_cost = -20.648 RAPTOR_TS3 costs 59.473 real_cost = -11.637 RAPTOR_TS2-scwrl costs 52.226 real_cost = 2.570 RAPTOR_TS2 costs 52.226 real_cost = 11.881 RAPTOR_TS1-scwrl costs 59.736 real_cost = -23.265 RAPTOR_TS1 costs 59.736 real_cost = -22.041 RAPTORESS_TS5-scwrl costs 65.230 real_cost = -43.909 RAPTORESS_TS5 costs 65.230 real_cost = -38.199 RAPTORESS_TS4-scwrl costs 62.993 real_cost = 47.707 RAPTORESS_TS4 costs 62.993 real_cost = 52.053 RAPTORESS_TS3-scwrl costs 76.916 real_cost = 0.921 RAPTORESS_TS3 costs 76.916 real_cost = 5.586 RAPTORESS_TS2-scwrl costs 71.969 real_cost = 38.185 RAPTORESS_TS2 costs 71.969 real_cost = 41.972 RAPTORESS_TS1-scwrl costs 74.852 real_cost = -15.767 RAPTORESS_TS1 costs 74.852 real_cost = -11.738 RAPTOR-ACE_TS5-scwrl costs 60.160 real_cost = 3.015 RAPTOR-ACE_TS5 costs 60.160 real_cost = 8.049 RAPTOR-ACE_TS4-scwrl costs 58.613 real_cost = 3.301 RAPTOR-ACE_TS4 costs 58.613 real_cost = 12.329 RAPTOR-ACE_TS3-scwrl costs 58.235 real_cost = 21.472 RAPTOR-ACE_TS3 costs 58.235 real_cost = 37.765 RAPTOR-ACE_TS2-scwrl costs 70.902 real_cost = 44.446 RAPTOR-ACE_TS2 costs 70.902 real_cost = 55.076 RAPTOR-ACE_TS1-scwrl costs 49.932 real_cost = -25.632 RAPTOR-ACE_TS1 costs 49.932 real_cost = -14.254 Pmodeller6_TS5-scwrl costs 55.596 real_cost = 16.023 Pmodeller6_TS5 costs 55.577 real_cost = 11.651 Pmodeller6_TS4-scwrl costs 62.904 real_cost = 51.920 Pmodeller6_TS4 costs 62.881 real_cost = 49.605 Pmodeller6_TS3-scwrl costs 57.890 real_cost = 48.336 Pmodeller6_TS3 costs 57.901 real_cost = 42.228 Pmodeller6_TS2-scwrl costs 52.625 real_cost = 44.706 Pmodeller6_TS2 costs 52.624 real_cost = 39.932 Pmodeller6_TS1-scwrl costs 55.088 real_cost = 29.483 Pmodeller6_TS1 costs 55.086 real_cost = 25.802 Phyre-2_TS5-scwrl costs 58.531 real_cost = 10.922 Phyre-2_TS5 costs 58.531 real_cost = 10.702 Phyre-2_TS4-scwrl costs 59.941 real_cost = 5.751 Phyre-2_TS4 costs 59.941 real_cost = 5.339 Phyre-2_TS3-scwrl costs 76.585 real_cost = 61.711 Phyre-2_TS3 costs 76.592 real_cost = 57.332 Phyre-2_TS2-scwrl costs 76.585 real_cost = 61.711 Phyre-2_TS2 costs 76.592 real_cost = 57.332 Phyre-2_TS1-scwrl costs 76.585 real_cost = 61.711 Phyre-2_TS1 costs 76.592 real_cost = 57.332 Phyre-1_TS1-scwrl costs 55.087 real_cost = 10.537 Phyre-1_TS1 costs 55.111 real_cost = 0.508 Pcons6_TS5-scwrl costs 61.449 real_cost = 72.222 Pcons6_TS5 costs 61.445 real_cost = 70.948 Pcons6_TS4-scwrl costs 59.024 real_cost = 33.618 Pcons6_TS4 costs 59.098 real_cost = 32.477 Pcons6_TS3-scwrl costs 54.907 real_cost = 35.295 Pcons6_TS3 costs 54.904 real_cost = 34.006 Pcons6_TS2-scwrl costs 57.848 real_cost = 36.543 Pcons6_TS2 costs 57.922 real_cost = 33.456 Pcons6_TS1-scwrl costs 55.058 real_cost = 63.683 Pcons6_TS1 costs 55.132 real_cost = 62.249 PROTINFO_TS5-scwrl costs 63.933 real_cost = 11.173 PROTINFO_TS5 costs 63.933 real_cost = 11.123 PROTINFO_TS4-scwrl costs 63.532 real_cost = 0.092 PROTINFO_TS4 costs 63.532 real_cost = 4.461 PROTINFO_TS3-scwrl costs 64.016 real_cost = 19.807 PROTINFO_TS3 costs 64.016 real_cost = 21.226 PROTINFO_TS2-scwrl costs 63.644 real_cost = 15.997 PROTINFO_TS2 costs 63.644 real_cost = 17.473 PROTINFO_TS1-scwrl costs 61.387 real_cost = 9.259 PROTINFO_TS1 costs 61.387 real_cost = 9.143 PROTINFO-AB_TS5-scwrl costs 64.236 real_cost = 34.994 PROTINFO-AB_TS5 costs 64.236 real_cost = 24.839 PROTINFO-AB_TS4-scwrl costs 64.372 real_cost = 15.648 PROTINFO-AB_TS4 costs 64.372 real_cost = 20.368 PROTINFO-AB_TS3-scwrl costs 63.055 real_cost = 19.815 PROTINFO-AB_TS3 costs 63.055 real_cost = 12.579 PROTINFO-AB_TS2-scwrl costs 66.243 real_cost = 23.130 PROTINFO-AB_TS2 costs 66.243 real_cost = 23.539 PROTINFO-AB_TS1-scwrl costs 66.586 real_cost = 29.231 PROTINFO-AB_TS1 costs 66.586 real_cost = 22.461 POMYSL_TS5-scwrl costs 129.354 real_cost = 340.108 POMYSL_TS5 costs 129.354 real_cost = 343.270 POMYSL_TS4-scwrl costs 126.596 real_cost = 357.107 POMYSL_TS4 costs 126.596 real_cost = 363.720 POMYSL_TS3-scwrl costs 125.445 real_cost = 340.372 POMYSL_TS3 costs 125.445 real_cost = 347.501 POMYSL_TS2-scwrl costs 108.877 real_cost = 311.005 POMYSL_TS2 costs 108.877 real_cost = 318.859 POMYSL_TS1-scwrl costs 112.093 real_cost = 321.922 POMYSL_TS1 costs 112.093 real_cost = 337.297 NN_PUT_lab_TS1-scwrl costs 63.655 real_cost = 46.523 NN_PUT_lab_TS1 costs 63.603 real_cost = 43.132 MetaTasser_TS5-scwrl costs 61.564 real_cost = -31.597 MetaTasser_TS5 costs 61.564 real_cost = -30.810 MetaTasser_TS4-scwrl costs 65.588 real_cost = -42.656 MetaTasser_TS4 costs 65.588 real_cost = -41.053 MetaTasser_TS3-scwrl costs 76.891 real_cost = 31.995 MetaTasser_TS3 costs 76.891 real_cost = 37.313 MetaTasser_TS2-scwrl costs 82.874 real_cost = 41.844 MetaTasser_TS2 costs 82.874 real_cost = 44.593 MetaTasser_TS1-scwrl costs 67.016 real_cost = -28.368 MetaTasser_TS1 costs 67.016 real_cost = -23.561 Ma-OPUS-server_TS5-scwrl costs 68.751 real_cost = 11.596 Ma-OPUS-server_TS5 costs 68.751 real_cost = 12.195 Ma-OPUS-server_TS4-scwrl costs 70.891 real_cost = 118.732 Ma-OPUS-server_TS4 costs 70.891 real_cost = 123.296 Ma-OPUS-server_TS3-scwrl costs 64.104 real_cost = 14.489 Ma-OPUS-server_TS3 costs 64.104 real_cost = 17.793 Ma-OPUS-server_TS2-scwrl costs 69.543 real_cost = 19.180 Ma-OPUS-server_TS2 costs 69.543 real_cost = 21.052 Ma-OPUS-server_TS1-scwrl costs 66.713 real_cost = 28.471 Ma-OPUS-server_TS1 costs 66.713 real_cost = 32.932 Ma-OPUS-server2_TS5-scwrl costs 64.504 real_cost = 14.041 Ma-OPUS-server2_TS5 costs 64.504 real_cost = 18.189 Ma-OPUS-server2_TS4-scwrl costs 70.694 real_cost = 116.183 Ma-OPUS-server2_TS4 costs 70.694 real_cost = 116.138 Ma-OPUS-server2_TS3-scwrl costs 83.004 real_cost = 67.457 Ma-OPUS-server2_TS3 costs 83.004 real_cost = 74.881 Ma-OPUS-server2_TS2-scwrl costs 69.543 real_cost = 19.180 Ma-OPUS-server2_TS2 costs 69.543 real_cost = 21.052 Ma-OPUS-server2_TS1-scwrl costs 63.235 real_cost = 11.917 Ma-OPUS-server2_TS1 costs 63.235 real_cost = 16.002 MIG_FROST_AL1-scwrl costs 68.547 real_cost = 226.515 MIG_FROST_AL1 costs 68.569 real_cost = 311.072 LOOPP_TS5-scwrl costs 65.286 real_cost = 161.574 LOOPP_TS5 costs 65.227 real_cost = 154.110 LOOPP_TS4-scwrl costs 65.445 real_cost = 205.610 LOOPP_TS4 costs 65.450 real_cost = 207.212 LOOPP_TS3-scwrl costs 92.614 real_cost = 232.218 LOOPP_TS3 costs 92.614 real_cost = 233.570 LOOPP_TS2-scwrl costs 73.450 real_cost = 108.099 LOOPP_TS2 costs 73.402 real_cost = 98.891 LOOPP_TS1-scwrl costs 63.655 real_cost = 46.523 LOOPP_TS1 costs 63.603 real_cost = 43.132 Huber-Torda-Server_TS5-scwrl costs 96.060 real_cost = 382.412 Huber-Torda-Server_TS5 costs 96.233 real_cost = 447.755 Huber-Torda-Server_TS4-scwrl costs 80.025 real_cost = 146.233 Huber-Torda-Server_TS4 costs 79.964 real_cost = 214.019 Huber-Torda-Server_TS3-scwrl costs 85.942 real_cost = 168.316 Huber-Torda-Server_TS3 costs 85.794 real_cost = 231.546 Huber-Torda-Server_TS2-scwrl costs 108.246 real_cost = 396.448 Huber-Torda-Server_TS2 costs 108.202 real_cost = 433.483 Huber-Torda-Server_TS1-scwrl costs 71.936 real_cost = 77.409 Huber-Torda-Server_TS1 costs 71.860 real_cost = 116.145 HHpred3_TS1-scwrl costs 67.198 real_cost = 12.623 HHpred3_TS1 costs 67.198 real_cost = 17.240 HHpred2_TS1-scwrl costs 67.198 real_cost = 12.623 HHpred2_TS1 costs 67.198 real_cost = 17.240 HHpred1_TS1-scwrl costs 68.801 real_cost = 41.608 HHpred1_TS1 costs 68.801 real_cost = 45.829 GeneSilicoMetaServer_TS5-scwrl costs 62.855 real_cost = 50.093 GeneSilicoMetaServer_TS5 costs 62.855 real_cost = 55.552 GeneSilicoMetaServer_TS4-scwrl costs 60.036 real_cost = 33.836 GeneSilicoMetaServer_TS4 costs 60.077 real_cost = 42.235 GeneSilicoMetaServer_TS3-scwrl costs 60.785 real_cost = 9.991 GeneSilicoMetaServer_TS3 costs 60.827 real_cost = 18.452 GeneSilicoMetaServer_TS2-scwrl costs 73.413 real_cost = 170.474 GeneSilicoMetaServer_TS2 costs 73.411 real_cost = 174.505 GeneSilicoMetaServer_TS1-scwrl costs 62.547 real_cost = 35.998 GeneSilicoMetaServer_TS1 costs 62.610 real_cost = 46.592 Frankenstein_TS5-scwrl costs 75.530 real_cost = 114.798 Frankenstein_TS5 costs 75.530 real_cost = 128.249 Frankenstein_TS4-scwrl costs 86.475 real_cost = 136.017 Frankenstein_TS4 costs 86.475 real_cost = 146.464 Frankenstein_TS3-scwrl costs 70.716 real_cost = 128.844 Frankenstein_TS3 costs 70.716 real_cost = 141.613 Frankenstein_TS2-scwrl costs 81.345 real_cost = 128.955 Frankenstein_TS2 costs 81.345 real_cost = 139.742 Frankenstein_TS1-scwrl costs 60.520 real_cost = 55.124 Frankenstein_TS1 costs 60.520 real_cost = 55.574 FUNCTION_TS5-scwrl costs 87.033 real_cost = 93.867 FUNCTION_TS5 costs 87.033 real_cost = 102.495 FUNCTION_TS4-scwrl costs 95.313 real_cost = 82.134 FUNCTION_TS4 costs 95.313 real_cost = 87.002 FUNCTION_TS3-scwrl costs 82.958 real_cost = 73.956 FUNCTION_TS3 costs 82.958 real_cost = 93.294 FUNCTION_TS2-scwrl costs 90.501 real_cost = 86.791 FUNCTION_TS2 costs 90.501 real_cost = 100.368 FUNCTION_TS1-scwrl costs 92.935 real_cost = 75.176 FUNCTION_TS1 costs 92.935 real_cost = 85.896 FUGUE_AL5-scwrl costs 66.757 real_cost = 55.942 FUGUE_AL5 costs 66.775 real_cost = 129.550 FUGUE_AL4-scwrl costs 72.847 real_cost = 47.051 FUGUE_AL4 costs 73.168 real_cost = 148.804 FUGUE_AL3-scwrl costs 80.070 real_cost = 125.920 FUGUE_AL3 costs 80.196 real_cost = 201.978 FUGUE_AL2-scwrl costs 85.359 real_cost = 123.381 FUGUE_AL2 costs 85.359 real_cost = 226.545 FUGUE_AL1-scwrl costs 75.673 real_cost = 174.063 FUGUE_AL1 costs 75.673 real_cost = 175.836 FUGMOD_TS5-scwrl costs 57.086 real_cost = 60.939 FUGMOD_TS5 costs 57.098 real_cost = 67.274 FUGMOD_TS4-scwrl costs 57.456 real_cost = 36.904 FUGMOD_TS4 costs 57.408 real_cost = 44.261 FUGMOD_TS3-scwrl costs 64.216 real_cost = 101.211 FUGMOD_TS3 costs 64.223 real_cost = 96.641 FUGMOD_TS2-scwrl costs 61.099 real_cost = 34.708 FUGMOD_TS2 costs 61.099 real_cost = 45.132 FUGMOD_TS1-scwrl costs 61.069 real_cost = 60.365 FUGMOD_TS1 costs 61.069 real_cost = 68.775 FPSOLVER-SERVER_TS5-scwrl costs 139.488 real_cost = 336.815 FPSOLVER-SERVER_TS5 costs 139.488 real_cost = 339.726 FPSOLVER-SERVER_TS4-scwrl costs 140.220 real_cost = 354.260 FPSOLVER-SERVER_TS4 costs 140.220 real_cost = 354.266 FPSOLVER-SERVER_TS3-scwrl costs 135.645 real_cost = 331.951 FPSOLVER-SERVER_TS3 costs 135.645 real_cost = 335.241 FPSOLVER-SERVER_TS2-scwrl costs 141.381 real_cost = 345.116 FPSOLVER-SERVER_TS2 costs 141.381 real_cost = 346.310 FPSOLVER-SERVER_TS1-scwrl costs 141.424 real_cost = 316.461 FPSOLVER-SERVER_TS1 costs 141.424 real_cost = 320.473 FORTE2_AL5-scwrl costs 68.473 real_cost = 46.579 FORTE2_AL5 costs 68.398 real_cost = 123.311 FORTE2_AL4-scwrl costs 63.325 real_cost = -11.299 FORTE2_AL4 costs 63.242 real_cost = 64.404 FORTE2_AL3-scwrl costs 66.032 real_cost = 26.137 FORTE2_AL3 costs 66.032 real_cost = 138.502 FORTE2_AL2-scwrl costs 69.839 real_cost = 4.995 FORTE2_AL2 costs 69.915 real_cost = 89.368 FORTE2_AL1-scwrl costs 68.377 real_cost = 1.323 FORTE2_AL1 costs 68.592 real_cost = 104.825 FORTE1_AL5-scwrl costs 68.473 real_cost = 46.579 FORTE1_AL5 costs 68.398 real_cost = 123.311 FORTE1_AL4-scwrl costs 63.325 real_cost = -11.299 FORTE1_AL4 costs 63.242 real_cost = 64.404 FORTE1_AL3-scwrl costs 64.067 real_cost = 35.400 FORTE1_AL3 costs 64.067 real_cost = 148.604 FORTE1_AL2-scwrl costs 69.839 real_cost = 4.995 FORTE1_AL2 costs 69.915 real_cost = 89.368 FORTE1_AL1-scwrl costs 68.377 real_cost = 1.323 FORTE1_AL1 costs 68.592 real_cost = 104.825 FOLDpro_TS5-scwrl costs 79.717 real_cost = 195.774 FOLDpro_TS5 costs 79.717 real_cost = 199.381 FOLDpro_TS4-scwrl costs 62.134 real_cost = 33.893 FOLDpro_TS4 costs 62.134 real_cost = 40.300 FOLDpro_TS3-scwrl costs 62.093 real_cost = 30.551 FOLDpro_TS3 costs 62.093 real_cost = 40.503 FOLDpro_TS2-scwrl costs 55.920 real_cost = 45.681 FOLDpro_TS2 costs 55.920 real_cost = 53.850 FOLDpro_TS1-scwrl costs 78.352 real_cost = 42.239 FOLDpro_TS1 costs 78.352 real_cost = 54.899 FAMS_TS5-scwrl costs 61.982 real_cost = -52.856 FAMS_TS5 costs 61.978 real_cost = -47.139 FAMS_TS4-scwrl costs 61.982 real_cost = -52.856 FAMS_TS4 costs 61.978 real_cost = -47.139 FAMS_TS3-scwrl costs 69.998 real_cost = 5.473 FAMS_TS3 costs 70.036 real_cost = 19.917 FAMS_TS2-scwrl costs 56.956 real_cost = -64.544 FAMS_TS2 costs 56.975 real_cost = -69.035 FAMS_TS1-scwrl costs 73.076 real_cost = 50.186 FAMS_TS1 costs 73.076 real_cost = 53.632 FAMSD_TS5-scwrl costs 65.693 real_cost = 7.403 FAMSD_TS5 costs 65.720 real_cost = 12.281 FAMSD_TS4-scwrl costs 76.660 real_cost = 88.647 FAMSD_TS4 costs 76.660 real_cost = 101.787 FAMSD_TS3-scwrl costs 76.877 real_cost = 132.553 FAMSD_TS3 costs 76.877 real_cost = 150.396 FAMSD_TS2-scwrl costs 77.943 real_cost = 101.353 FAMSD_TS2 costs 77.943 real_cost = 106.308 FAMSD_TS1-scwrl costs 72.725 real_cost = -28.083 FAMSD_TS1 costs 72.725 real_cost = -27.797 Distill_TS5-scwrl costs 230.822 real_cost = 429.034 Distill_TS4-scwrl costs 226.950 real_cost = 424.262 Distill_TS3-scwrl costs 228.200 real_cost = 417.091 Distill_TS2-scwrl costs 228.716 real_cost = 439.814 Distill_TS1-scwrl costs 232.352 real_cost = 433.392 CaspIta-FOX_TS5-scwrl costs 98.796 real_cost = 328.111 CaspIta-FOX_TS5 costs 98.686 real_cost = 323.934 CaspIta-FOX_TS4-scwrl costs 69.256 real_cost = 41.696 CaspIta-FOX_TS4 costs 69.256 real_cost = 40.494 CaspIta-FOX_TS3-scwrl costs 71.609 real_cost = 49.121 CaspIta-FOX_TS3 costs 71.566 real_cost = 41.585 CaspIta-FOX_TS2-scwrl costs 81.439 real_cost = 112.242 CaspIta-FOX_TS2 costs 81.450 real_cost = 103.465 CaspIta-FOX_TS1-scwrl costs 70.040 real_cost = 47.883 CaspIta-FOX_TS1 costs 70.016 real_cost = 51.744 CIRCLE_TS5-scwrl costs 56.956 real_cost = -64.544 CIRCLE_TS5 costs 56.975 real_cost = -69.035 CIRCLE_TS4-scwrl costs 65.993 real_cost = 36.997 CIRCLE_TS4 costs 66.011 real_cost = 50.476 CIRCLE_TS3-scwrl costs 61.982 real_cost = -52.856 CIRCLE_TS3 costs 61.978 real_cost = -47.139 CIRCLE_TS2-scwrl costs 69.998 real_cost = 5.473 CIRCLE_TS2 costs 70.036 real_cost = 19.917 CIRCLE_TS1-scwrl costs 70.317 real_cost = 15.455 CIRCLE_TS1 costs 70.317 real_cost = 20.120 Bilab-ENABLE_TS2-scwrl costs 76.821 real_cost = 102.398 Bilab-ENABLE_TS2 costs 76.821 real_cost = 102.398 Bilab-ENABLE_TS1-scwrl costs 55.078 real_cost = -25.936 Bilab-ENABLE_TS1 costs 55.078 real_cost = -25.955 BayesHH_TS1-scwrl costs 62.157 real_cost = 3.603 BayesHH_TS1 costs 62.157 real_cost = 4.473 ABIpro_TS5-scwrl costs 109.119 real_cost = 303.312 ABIpro_TS5 costs 109.119 real_cost = 303.312 ABIpro_TS4-scwrl costs 99.121 real_cost = 321.134 ABIpro_TS4 costs 99.121 real_cost = 321.313 ABIpro_TS3-scwrl costs 93.063 real_cost = 309.745 ABIpro_TS3 costs 93.063 real_cost = 309.726 ABIpro_TS2-scwrl costs 114.648 real_cost = 311.380 ABIpro_TS2 costs 114.648 real_cost = 311.370 ABIpro_TS1-scwrl costs 91.452 real_cost = 280.041 ABIpro_TS1 costs 91.452 real_cost = 280.041 3Dpro_TS5-scwrl costs 63.708 real_cost = 23.536 3Dpro_TS5 costs 63.708 real_cost = 44.599 3Dpro_TS4-scwrl costs 72.492 real_cost = 197.855 3Dpro_TS4 costs 72.492 real_cost = 206.681 3Dpro_TS3-scwrl costs 51.742 real_cost = 69.890 3Dpro_TS3 costs 51.742 real_cost = 72.806 3Dpro_TS2-scwrl costs 71.492 real_cost = 75.368 3Dpro_TS2 costs 71.492 real_cost = 72.560 3Dpro_TS1-scwrl costs 51.400 real_cost = 20.502 3Dpro_TS1 costs 51.400 real_cost = 32.925 3D-JIGSAW_TS5-scwrl costs 80.958 real_cost = 168.208 3D-JIGSAW_TS5 costs 80.933 real_cost = 184.114 3D-JIGSAW_TS4-scwrl costs 82.948 real_cost = 173.124 3D-JIGSAW_TS4 costs 82.923 real_cost = 187.619 3D-JIGSAW_TS3-scwrl costs 73.728 real_cost = 134.109 3D-JIGSAW_TS3 costs 73.715 real_cost = 139.187 3D-JIGSAW_TS2-scwrl costs 76.641 real_cost = 124.581 3D-JIGSAW_TS2 costs 76.647 real_cost = 132.586 3D-JIGSAW_TS1-scwrl costs 82.630 real_cost = 178.123 3D-JIGSAW_TS1 costs 82.641 real_cost = 187.727 3D-JIGSAW_RECOM_TS5-scwrl costs 67.271 real_cost = 34.599 3D-JIGSAW_RECOM_TS5 costs 67.224 real_cost = 40.328 3D-JIGSAW_RECOM_TS4-scwrl costs 67.271 real_cost = 34.599 3D-JIGSAW_RECOM_TS4 costs 67.224 real_cost = 40.328 3D-JIGSAW_RECOM_TS3-scwrl costs 68.167 real_cost = 57.065 3D-JIGSAW_RECOM_TS3 costs 68.121 real_cost = 60.582 3D-JIGSAW_RECOM_TS2-scwrl costs 68.167 real_cost = 57.065 3D-JIGSAW_RECOM_TS2 costs 68.121 real_cost = 60.582 3D-JIGSAW_RECOM_TS1-scwrl costs 74.197 real_cost = 178.494 3D-JIGSAW_RECOM_TS1 costs 74.172 real_cost = 166.361 3D-JIGSAW_POPULUS_TS5-scwrl costs 61.174 real_cost = 42.950 3D-JIGSAW_POPULUS_TS5 costs 61.140 real_cost = 35.406 3D-JIGSAW_POPULUS_TS4-scwrl costs 65.988 real_cost = 85.617 3D-JIGSAW_POPULUS_TS4 costs 65.920 real_cost = 84.956 3D-JIGSAW_POPULUS_TS3-scwrl costs 65.519 real_cost = 96.055 3D-JIGSAW_POPULUS_TS3 costs 65.484 real_cost = 89.486 3D-JIGSAW_POPULUS_TS2-scwrl costs 63.900 real_cost = 83.842 3D-JIGSAW_POPULUS_TS2 costs 63.866 real_cost = 79.065 3D-JIGSAW_POPULUS_TS1-scwrl costs 65.872 real_cost = 68.270 3D-JIGSAW_POPULUS_TS1 costs 65.826 real_cost = 63.065 dimer//dimer-from-try73-opt2-1rfeA costs 75.116 real_cost = -80.107 dimer//dimer-from-try72-opt2-1rfeA costs 73.261 real_cost = -81.630 dimer//dimer-from-try64-opt2-1rfeA costs 82.848 real_cost = -74.416 dimer//dimer-from-try56-opt2-template-1rfeA costs 71.696 real_cost = -83.178 dimer//dimer-from-try51-opt2-template-2fhqA costs 65.600 real_cost = 29.286 dimer//dimer-from-try51-opt2-template-2arzA costs 65.600 real_cost = 29.446 dimer//dimer-from-try51-opt2-template-2aq6A costs 65.600 real_cost = 29.293 dimer//dimer-from-try46-opt2.gromacs0.repack-nonPC-template-2arzA costs 50.424 real_cost = -12.724 dimer//dimer-from-try46-opt2.gromacs0.repack-nonPC-template-2aq6A costs 50.424 real_cost = -12.718 dimer//dimer-from-try46-opt2.gromacs0.repack-nonPC-template-1rfeA costs 50.424 real_cost = -13.038 dimer//dimer-from-try46-opt2.gromacs0.repack-nonPC-template-1dnl costs 50.424 real_cost = -12.863 dimer//try9-opt2.unpack costs 72.732 real_cost = -84.228 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 57.536 real_cost = -84.294 dimer//try9-opt2.unpack.gromacs0 costs 57.536 real_cost = -84.615 dimer//try9-opt2.repack-nonPC costs 72.732 real_cost = -83.752 dimer//try9-opt2 costs 72.732 real_cost = -84.228 dimer//try9-opt1 costs 71.408 real_cost = -84.690 dimer//try9-opt1-scwrl costs 71.408 real_cost = -89.871 dimer//try8-opt2.unpack costs 71.486 real_cost = -82.920 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 57.894 real_cost = -85.804 dimer//try8-opt2.unpack.gromacs0 costs 57.894 real_cost = -83.904 dimer//try8-opt2.repack-nonPC costs 71.486 real_cost = -82.990 dimer//try8-opt2 costs 71.486 real_cost = -82.920 dimer//try8-opt1 costs 73.419 real_cost = -81.752 dimer//try8-opt1-scwrl costs 73.419 real_cost = -88.913 dimer//try7-opt2.unpack costs 72.182 real_cost = -81.671 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 58.263 real_cost = -85.249 dimer//try7-opt2.unpack.gromacs0 costs 58.263 real_cost = -82.626 dimer//try7-opt2.repack-nonPC costs 72.182 real_cost = -88.849 dimer//try7-opt2 costs 72.182 real_cost = -81.671 dimer//try7-opt1 costs 75.512 real_cost = -83.915 dimer//try7-opt1-scwrl costs 74.149 real_cost = -89.449 dimer//try6-opt2.unpack costs 58.554 real_cost = -9.808 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 51.486 real_cost = -9.068 dimer//try6-opt2.unpack.gromacs0 costs 51.486 real_cost = -10.103 dimer//try6-opt2.repack-nonPC costs 58.554 real_cost = -10.119 dimer//try6-opt2 costs 58.554 real_cost = -9.808 dimer//try6-opt2.gromacs0.repack-nonPC costs 59.190 real_cost = -90.806 dimer//try6-opt2.gromacs0 costs 59.190 real_cost = -86.365 dimer//try6-opt1 costs 58.326 real_cost = -12.572 dimer//try6-opt1-scwrl costs 58.326 real_cost = -16.383 dimer//try5-opt2.unpack costs 59.117 real_cost = -14.902 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 51.677 real_cost = -8.970 dimer//try5-opt2.unpack.gromacs0 costs 51.677 real_cost = -13.365 dimer//try5-opt2.repack-nonPC costs 59.117 real_cost = -13.317 dimer//try5-opt2 costs 59.117 real_cost = -14.902 dimer//try5-opt1 costs 57.769 real_cost = -13.018 dimer//try5-opt1-scwrl costs 57.769 real_cost = -16.433 dimer//try4-opt2.unpack costs 93.882 real_cost = 261.598 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 83.391 real_cost = 265.794 dimer//try4-opt2.unpack.gromacs0 costs 83.391 real_cost = 264.209 dimer//try4-opt2.repack-nonPC costs 93.882 real_cost = 260.846 dimer//try4-opt2 costs 93.882 real_cost = 261.598 dimer//try4-opt1 costs 86.178 real_cost = 259.471 dimer//try4-opt1-scwrl costs 86.178 real_cost = 256.181 dimer//try3-opt2.unpack costs 64.174 real_cost = 78.497 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 52.592 real_cost = 78.695 dimer//try3-opt2.unpack.gromacs0 costs 52.592 real_cost = 76.848 dimer//try3-opt2.repack-nonPC costs 64.174 real_cost = 80.488 dimer//try3-opt2 costs 64.174 real_cost = 78.497 dimer//try3-opt1 costs 59.309 real_cost = 82.374 dimer//try3-opt1-scwrl costs 59.309 real_cost = 80.495 dimer//try23-opt2.unpack costs 64.206 real_cost = -89.733 dimer//try23-opt2.unpack.gromacs0.repack-nonPC costs 51.506 real_cost = -89.317 dimer//try23-opt2.unpack.gromacs0 costs 51.506 real_cost = -87.952 dimer//try23-opt2.repack-nonPC costs 64.206 real_cost = -91.203 dimer//try23-opt2 costs 64.206 real_cost = -89.733 dimer//try23-opt1 costs 59.714 real_cost = -89.789 dimer//try23-opt1-scwrl costs 59.714 real_cost = -91.675 dimer//try22-opt2.unpack costs 57.757 real_cost = -87.837 dimer//try22-opt2.unpack.gromacs0.repack-nonPC costs 52.126 real_cost = -88.221 dimer//try22-opt2.unpack.gromacs0 costs 52.126 real_cost = -85.473 dimer//try22-opt2.repack-nonPC costs 57.757 real_cost = -90.521 dimer//try22-opt2 costs 57.757 real_cost = -87.837 dimer//try22-opt1 costs 54.884 real_cost = -85.783 dimer//try22-opt1-scwrl costs 54.884 real_cost = -87.194 dimer//try21-opt2.unpack costs 62.259 real_cost = -93.252 dimer//try21-opt2.unpack.gromacs0.repack-nonPC costs 51.997 real_cost = -93.924 dimer//try21-opt2.unpack.gromacs0 costs 51.997 real_cost = -87.075 dimer//try21-opt2.repack-nonPC costs 62.259 real_cost = -98.329 dimer//try21-opt2 costs 62.259 real_cost = -93.252 dimer//try21-opt1 costs 57.525 real_cost = -91.314 dimer//try21-opt1-scwrl costs 57.525 real_cost = -89.511 dimer//try20-opt2.unpack costs 78.570 real_cost = -88.833 dimer//try20-opt2.unpack.gromacs0.repack-nonPC costs 53.339 real_cost = -92.348 dimer//try20-opt2.unpack.gromacs0 costs 53.339 real_cost = -89.476 dimer//try20-opt2.repack-nonPC costs 78.570 real_cost = -92.809 dimer//try20-opt2 costs 78.570 real_cost = -88.833 dimer//try20-opt1 costs 75.648 real_cost = -85.313 dimer//try20-opt1-scwrl costs 75.648 real_cost = -91.001 dimer//try2-opt2.unpack costs 60.835 real_cost = -8.898 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 51.080 real_cost = -5.957 dimer//try2-opt2.unpack.gromacs0 costs 51.080 real_cost = -8.439 dimer//try2-opt2.repack-nonPC costs 60.835 real_cost = -9.269 dimer//try2-opt2 costs 60.835 real_cost = -8.898 dimer//try2-opt1 costs 60.542 real_cost = -9.511 dimer//try2-opt1-scwrl costs 60.542 real_cost = -12.894 dimer//try19-opt2.unpack costs 68.790 real_cost = -76.697 dimer//try19-opt2.unpack.gromacs0.repack-nonPC costs 57.887 real_cost = -83.146 dimer//try19-opt2.unpack.gromacs0 costs 57.887 real_cost = -79.169 dimer//try19-opt2.repack-nonPC costs 68.790 real_cost = -81.813 dimer//try19-opt2 costs 68.790 real_cost = -76.697 dimer//try19-opt1 costs 67.098 real_cost = -76.104 dimer//try19-opt1-scwrl costs 67.098 real_cost = -83.521 dimer//try18-opt2.unpack costs 62.844 real_cost = -86.336 dimer//try18-opt2.unpack.gromacs0.repack-nonPC costs 54.927 real_cost = -85.146 dimer//try18-opt2.unpack.gromacs0 costs 54.927 real_cost = -83.389 dimer//try18-opt2.repack-nonPC costs 62.844 real_cost = -88.360 dimer//try18-opt2 costs 62.844 real_cost = -86.336 dimer//try18-opt1 costs 57.141 real_cost = -86.044 dimer//try18-opt1-scwrl costs 57.141 real_cost = -89.408 dimer//try17-opt2.unpack costs 75.267 real_cost = -81.355 dimer//try17-opt2.unpack.gromacs0.repack-nonPC costs 54.179 real_cost = -89.259 dimer//try17-opt2.unpack.gromacs0 costs 54.179 real_cost = -86.944 dimer//try17-opt2.repack-nonPC costs 75.267 real_cost = -85.262 dimer//try17-opt2 costs 75.267 real_cost = -81.355 dimer//try17-opt1 costs 75.399 real_cost = -82.376 dimer//try17-opt1-scwrl costs 75.399 real_cost = -86.309 dimer//try16-opt2.unpack costs 76.588 real_cost = -81.117 dimer//try16-opt2.unpack.gromacs0.repack-nonPC costs 54.177 real_cost = -89.328 dimer//try16-opt2.unpack.gromacs0 costs 54.177 real_cost = -87.397 dimer//try16-opt2.repack-nonPC costs 76.588 real_cost = -87.021 dimer//try16-opt2 costs 76.588 real_cost = -81.117 dimer//try16-opt1 costs 76.532 real_cost = -81.498 dimer//try16-opt1-scwrl costs 76.532 real_cost = -86.255 dimer//try15-opt2.unpack costs 80.099 real_cost = -77.509 dimer//try15-opt2.unpack.gromacs0.repack-nonPC costs 58.924 real_cost = -78.859 dimer//try15-opt2.unpack.gromacs0 costs 58.924 real_cost = -79.757 dimer//try15-opt2.repack-nonPC costs 80.099 real_cost = -79.396 dimer//try15-opt2 costs 80.099 real_cost = -77.509 dimer//try15-opt1 costs 81.259 real_cost = -75.808 dimer//try15-opt1-scwrl costs 81.259 real_cost = -84.613 dimer//try14-opt2.unpack costs 80.068 real_cost = -74.460 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 56.345 real_cost = -82.405 dimer//try14-opt2.unpack.gromacs0 costs 56.345 real_cost = -76.596 dimer//try14-opt2.repack-nonPC costs 80.068 real_cost = -81.660 dimer//try14-opt2 costs 80.068 real_cost = -74.460 dimer//try14-opt1 costs 82.259 real_cost = -75.138 dimer//try14-opt1-scwrl costs 82.259 real_cost = -83.980 dimer//try13-opt2.unpack costs 82.872 real_cost = -75.423 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 57.823 real_cost = -82.788 dimer//try13-opt2.unpack.gromacs0 costs 57.823 real_cost = -79.540 dimer//try13-opt2.repack-nonPC costs 82.872 real_cost = -82.095 dimer//try13-opt2 costs 82.872 real_cost = -75.423 dimer//try13-opt1 costs 81.064 real_cost = -75.506 dimer//try13-opt1-scwrl costs 80.725 real_cost = -82.646 dimer//try12-opt2.unpack costs 76.857 real_cost = -82.346 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 57.257 real_cost = -84.987 dimer//try12-opt2.unpack.gromacs0 costs 57.257 real_cost = -81.192 dimer//try12-opt2.repack-nonPC costs 76.857 real_cost = -82.831 dimer//try12-opt2 costs 76.857 real_cost = -82.346 dimer//try12-opt1 costs 75.288 real_cost = -81.919 dimer//try12-opt1-scwrl costs 75.288 real_cost = -88.036 dimer//try11-opt2.unpack costs 72.168 real_cost = -85.076 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 57.336 real_cost = -82.402 dimer//try11-opt2.unpack.gromacs0 costs 57.336 real_cost = -82.130 dimer//try11-opt2.repack-nonPC costs 72.168 real_cost = -85.554 dimer//try11-opt2 costs 72.168 real_cost = -85.076 dimer//try11-opt1 costs 76.029 real_cost = -83.819 dimer//try11-opt1-scwrl costs 72.975 real_cost = -89.610 dimer//try10-opt2.unpack costs 75.379 real_cost = -82.308 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 58.229 real_cost = -80.961 dimer//try10-opt2.unpack.gromacs0 costs 58.229 real_cost = -81.993 dimer//try10-opt2.repack-nonPC costs 75.379 real_cost = -82.555 dimer//try10-opt2 costs 75.379 real_cost = -82.308 dimer//try10-opt1 costs 70.526 real_cost = -84.477 dimer//try10-opt1-scwrl costs 73.822 real_cost = -89.863 dimer//try1-opt2.repack-nonPC costs 63.906 real_cost = -3.376 dimer//try1-opt2 costs 63.906 real_cost = -14.686 dimer//try1-opt2.gromacs0.repack-nonPC costs 54.227 real_cost = -5.417 dimer//try1-opt2.gromacs0 costs 54.227 real_cost = -13.335 dimer//try1-opt1 costs 60.426 real_cost = -9.408 dimer//try1-opt1-scwrl costs 60.426 real_cost = -4.593 try65-opt2_broken.pdb.gz costs 82.271 real_cost = -71.921 tr370.repack-nonPC.pdb.gz costs 60.217 real_cost = -63.346 tr370.pdb.gz costs 60.217 real_cost = -69.204 tr370.gromacs0.repack-nonPC.pdb.gz costs 59.713 real_cost = -75.355 tr370.gromacs0.pdb.gz costs 59.713 real_cost = -77.729 chimera64-46.pdb.gz costs 78.414 real_cost = -73.359 chimera64-46-no2.pdb.gz costs 80.586 real_cost = -74.425 chimera30-33.pdb.gz costs 64.289 real_cost = 62.262 chimera30-33-30.pdb.gz costs 72.190 real_cost = 42.572 chimera-47-31.pdb.gz costs 65.600 real_cost = 30.561 chimera-43-44.pdb.gz costs 72.402 real_cost = 73.677 chimera-43-31.pdb.gz costs 64.221 real_cost = 38.967 T0370.try9-opt2.repack-nonPC.pdb.gz costs 66.635 real_cost = 40.658 T0370.try9-opt2.pdb.gz costs 66.635 real_cost = 41.499 T0370.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.212 real_cost = 38.443 T0370.try9-opt2.gromacs0.pdb.gz costs 60.212 real_cost = 39.041 T0370.try9-opt1.pdb.gz costs 66.606 real_cost = 42.189 T0370.try9-opt1-scwrl.pdb.gz costs 66.606 real_cost = 41.827 T0370.try8-opt2.repack-nonPC.pdb.gz costs 68.415 real_cost = 37.932 T0370.try8-opt2.pdb.gz costs 68.415 real_cost = 37.397 T0370.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.591 real_cost = 38.567 T0370.try8-opt2.gromacs0.pdb.gz costs 64.591 real_cost = 35.953 T0370.try8-opt1.pdb.gz costs 69.645 real_cost = 39.253 T0370.try8-opt1-scwrl.pdb.gz costs 69.645 real_cost = 35.088 T0370.try74-opt2.repack-nonPC.pdb.gz costs 76.712 real_cost = -83.564 T0370.try74-opt2.pdb.gz costs 76.712 real_cost = -80.909 T0370.try74-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.041 real_cost = -86.312 T0370.try74-opt2.gromacs0.pdb.gz costs 54.041 real_cost = -85.030 T0370.try74-opt1.pdb.gz costs 73.829 real_cost = -81.720 T0370.try74-opt1-scwrl.pdb.gz costs 73.829 real_cost = -88.250 T0370.try73-opt2.repack-nonPC.pdb.gz costs 76.844 real_cost = -82.494 T0370.try73-opt2.pdb.gz costs 76.844 real_cost = -79.870 T0370.try73-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.882 real_cost = -85.431 T0370.try73-opt2.gromacs0.pdb.gz costs 53.882 real_cost = -84.006 T0370.try73-opt1.pdb.gz costs 76.467 real_cost = -82.150 T0370.try73-opt1-scwrl.pdb.gz costs 76.467 real_cost = -87.530 T0370.try72-opt2.repack-nonPC.pdb.gz costs 75.294 real_cost = -84.489 T0370.try72-opt2.pdb.gz costs 75.294 real_cost = -81.620 T0370.try72-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.258 real_cost = -84.825 T0370.try72-opt2.gromacs0.pdb.gz costs 54.258 real_cost = -85.150 T0370.try72-opt1.pdb.gz costs 72.990 real_cost = -81.860 T0370.try72-opt1-scwrl.pdb.gz costs 72.990 real_cost = -85.046 T0370.try71-opt2.repack-nonPC.pdb.gz costs 79.693 real_cost = -52.570 T0370.try71-opt2.pdb.gz costs 79.693 real_cost = -54.726 T0370.try71-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.469 real_cost = -55.613 T0370.try71-opt2.gromacs0.pdb.gz costs 53.469 real_cost = -57.848 T0370.try71-opt1.pdb.gz costs 77.637 real_cost = -55.803 T0370.try71-opt1-scwrl.pdb.gz costs 77.637 real_cost = -60.705 T0370.try70-opt2.repack-nonPC.pdb.gz costs 79.130 real_cost = -49.150 T0370.try70-opt2.pdb.gz costs 79.130 real_cost = -55.005 T0370.try70-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.289 real_cost = -57.965 T0370.try70-opt2.gromacs0.pdb.gz costs 53.289 real_cost = -57.634 T0370.try70-opt1.pdb.gz costs 78.429 real_cost = -54.268 T0370.try70-opt1-scwrl.pdb.gz costs 78.429 real_cost = -56.621 T0370.try7-opt2.repack-nonPC.pdb.gz costs 76.743 real_cost = 168.086 T0370.try7-opt2.pdb.gz costs 76.743 real_cost = 169.851 T0370.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 67.662 real_cost = 163.350 T0370.try7-opt2.gromacs0.pdb.gz costs 67.662 real_cost = 167.088 T0370.try7-opt1.pdb.gz costs 74.299 real_cost = 173.332 T0370.try7-opt1-scwrl.pdb.gz costs 74.299 real_cost = 172.930 T0370.try69-opt2.repack-nonPC.pdb.gz costs 72.405 real_cost = -49.361 T0370.try69-opt2.pdb.gz costs 72.405 real_cost = -50.496 T0370.try69-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.961 real_cost = -56.583 T0370.try69-opt2.gromacs0.pdb.gz costs 53.961 real_cost = -54.912 T0370.try69-opt1.pdb.gz costs 69.486 real_cost = -50.514 T0370.try69-opt1-scwrl.pdb.gz costs 69.486 real_cost = -57.221 T0370.try68-opt2.repack-nonPC.pdb.gz costs 79.040 real_cost = 14.302 T0370.try68-opt2.pdb.gz costs 79.040 real_cost = 14.741 T0370.try68-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.569 real_cost = 12.994 T0370.try68-opt2.gromacs0.pdb.gz costs 57.569 real_cost = 10.162 T0370.try68-opt1.pdb.gz costs 79.521 real_cost = 14.913 T0370.try68-opt1-scwrl.pdb.gz costs 79.521 real_cost = 9.346 T0370.try67-opt2.repack-nonPC.pdb.gz costs 78.170 real_cost = -29.187 T0370.try67-opt2.pdb.gz costs 78.170 real_cost = -26.397 T0370.try67-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.230 real_cost = -35.225 T0370.try67-opt2.gromacs0.pdb.gz costs 52.230 real_cost = -30.256 T0370.try67-opt1.pdb.gz costs 77.553 real_cost = -27.253 T0370.try67-opt1-scwrl.pdb.gz costs 77.553 real_cost = -33.416 T0370.try65-opt2.repack-nonPC.pdb.gz costs 82.393 real_cost = -81.937 T0370.try65-opt2.pdb.gz costs 82.393 real_cost = -75.006 T0370.try65-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.331 real_cost = -82.227 T0370.try65-opt2.gromacs0.pdb.gz costs 58.331 real_cost = -78.702 T0370.try65-opt1.pdb.gz costs 80.526 real_cost = -74.775 T0370.try65-opt1-scwrl.pdb.gz costs 80.526 real_cost = -83.927 T0370.try64-opt2.repack-nonPC.pdb.gz costs 82.848 real_cost = -77.942 T0370.try64-opt2.pdb.gz costs 82.848 real_cost = -74.266 T0370.try64-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.842 real_cost = -81.367 T0370.try64-opt2.gromacs0.pdb.gz costs 57.842 real_cost = -77.915 T0370.try64-opt1.pdb.gz costs 82.244 real_cost = -75.688 T0370.try64-opt1-scwrl.pdb.gz costs 82.244 real_cost = -85.444 T0370.try63-opt2.repack-nonPC.pdb.gz costs 82.195 real_cost = -79.873 T0370.try63-opt2.pdb.gz costs 82.195 real_cost = -76.332 T0370.try63-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.939 real_cost = -78.119 T0370.try63-opt2.gromacs0.pdb.gz costs 56.939 real_cost = -76.850 T0370.try63-opt1.pdb.gz costs 73.600 real_cost = -77.243 T0370.try63-opt1-scwrl.pdb.gz costs 73.600 real_cost = -83.095 T0370.try62-opt2.repack-nonPC.pdb.gz costs 74.244 real_cost = -79.130 T0370.try62-opt2.pdb.gz costs 74.244 real_cost = -78.796 T0370.try62-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.057 real_cost = -82.724 T0370.try62-opt2.gromacs0.pdb.gz costs 58.057 real_cost = -80.346 T0370.try62-opt1.pdb.gz costs 74.978 real_cost = -79.312 T0370.try62-opt1-scwrl.pdb.gz costs 74.978 real_cost = -83.780 T0370.try61-opt2.repack-nonPC.pdb.gz costs 78.452 real_cost = -82.639 T0370.try61-opt2.pdb.gz costs 78.452 real_cost = -82.323 T0370.try61-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.193 real_cost = -85.957 T0370.try61-opt2.gromacs0.pdb.gz costs 57.193 real_cost = -84.447 T0370.try61-opt1.pdb.gz costs 77.198 real_cost = -83.126 T0370.try61-opt1-scwrl.pdb.gz costs 77.198 real_cost = -86.053 T0370.try60-opt2.repack-nonPC.pdb.gz costs 68.160 real_cost = -83.769 T0370.try60-opt2.pdb.gz costs 68.160 real_cost = -80.928 T0370.try60-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.602 real_cost = -81.319 T0370.try60-opt2.gromacs0.pdb.gz costs 55.602 real_cost = -78.952 T0370.try60-opt1.pdb.gz costs 71.196 real_cost = -83.888 T0370.try60-opt1-scwrl.pdb.gz costs 71.196 real_cost = -84.777 T0370.try6-opt2.repack-nonPC.pdb.gz costs 64.023 real_cost = 55.245 T0370.try6-opt2.pdb.gz costs 64.023 real_cost = 54.921 T0370.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.296 real_cost = 49.285 T0370.try6-opt2.gromacs0.pdb.gz costs 59.296 real_cost = 50.853 T0370.try6-opt1.pdb.gz costs 65.768 real_cost = 60.878 T0370.try6-opt1-scwrl.pdb.gz costs 65.768 real_cost = 63.523 T0370.try59-opt2.repack-nonPC.pdb.gz costs 71.618 real_cost = -81.663 T0370.try59-opt2.pdb.gz costs 71.618 real_cost = -81.146 T0370.try59-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.296 real_cost = -81.997 T0370.try59-opt2.gromacs0.pdb.gz costs 57.296 real_cost = -79.252 T0370.try59-opt1.pdb.gz costs 72.462 real_cost = -83.653 T0370.try59-opt1-scwrl.pdb.gz costs 72.462 real_cost = -87.817 T0370.try58-opt2.repack-nonPC.pdb.gz costs 67.955 real_cost = -85.669 T0370.try58-opt2.pdb.gz costs 67.955 real_cost = -81.521 T0370.try58-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.215 real_cost = -85.990 T0370.try58-opt2.gromacs0.pdb.gz costs 54.215 real_cost = -81.630 T0370.try58-opt1.pdb.gz costs 71.683 real_cost = -83.050 T0370.try58-opt1-scwrl.pdb.gz costs 71.683 real_cost = -85.676 T0370.try57-opt2.repack-nonPC.pdb.gz costs 73.291 real_cost = -85.437 T0370.try57-opt2.pdb.gz costs 73.291 real_cost = -84.829 T0370.try57-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.801 real_cost = -85.635 T0370.try57-opt2.gromacs0.pdb.gz costs 56.801 real_cost = -85.781 T0370.try57-opt1.pdb.gz costs 74.562 real_cost = -86.373 T0370.try57-opt1-scwrl.pdb.gz costs 74.562 real_cost = -88.544 T0370.try56-opt2.repack-nonPC.pdb.gz costs 71.696 real_cost = -84.839 T0370.try56-opt2.pdb.gz costs 71.696 real_cost = -83.159 T0370.try56-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.973 real_cost = -87.591 T0370.try56-opt2.gromacs0.pdb.gz costs 57.973 real_cost = -83.346 T0370.try56-opt1.pdb.gz costs 71.774 real_cost = -83.503 T0370.try56-opt1-scwrl.pdb.gz costs 71.774 real_cost = -89.313 T0370.try55-opt2.repack-nonPC.pdb.gz costs 73.799 real_cost = -84.200 T0370.try55-opt2.pdb.gz costs 73.799 real_cost = -86.309 T0370.try55-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.391 real_cost = -81.954 T0370.try55-opt2.gromacs0.pdb.gz costs 58.391 real_cost = -82.579 T0370.try55-opt1.pdb.gz costs 72.708 real_cost = -83.269 T0370.try55-opt1-scwrl.pdb.gz costs 72.708 real_cost = -86.108 T0370.try54-opt2.repack-nonPC.pdb.gz costs 72.817 real_cost = -85.750 T0370.try54-opt2.pdb.gz costs 72.817 real_cost = -83.460 T0370.try54-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.660 real_cost = -87.207 T0370.try54-opt2.gromacs0.pdb.gz costs 56.660 real_cost = -82.876 T0370.try54-opt1.pdb.gz costs 73.832 real_cost = -85.738 T0370.try54-opt1-scwrl.pdb.gz costs 73.832 real_cost = -86.587 T0370.try53-opt2.repack-nonPC.pdb.gz costs 75.262 real_cost = -86.113 T0370.try53-opt2.pdb.gz costs 75.262 real_cost = -85.056 T0370.try53-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.934 real_cost = -85.733 T0370.try53-opt2.gromacs0.pdb.gz costs 55.934 real_cost = -84.190 T0370.try53-opt1.pdb.gz costs 75.998 real_cost = -83.757 T0370.try53-opt1-scwrl.pdb.gz costs 75.998 real_cost = -85.555 T0370.try52-opt2.repack-nonPC.pdb.gz costs 72.189 real_cost = -85.063 T0370.try52-opt2.pdb.gz costs 72.189 real_cost = -84.726 T0370.try52-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.680 real_cost = -87.158 T0370.try52-opt2.gromacs0.pdb.gz costs 54.680 real_cost = -85.756 T0370.try52-opt1.pdb.gz costs 68.940 real_cost = -81.332 T0370.try52-opt1-scwrl.pdb.gz costs 68.940 real_cost = -82.354 T0370.try51-opt2.repack-nonPC.pdb.gz costs 65.600 real_cost = 31.648 T0370.try51-opt2.pdb.gz costs 65.600 real_cost = 29.289 T0370.try51-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.293 real_cost = 27.191 T0370.try51-opt2.gromacs0.pdb.gz costs 46.293 real_cost = 26.025 T0370.try51-opt1.pdb.gz costs 65.600 real_cost = 29.786 T0370.try51-opt1-scwrl.pdb.gz costs 65.600 real_cost = 29.458 T0370.try50-opt2.repack-nonPC.pdb.gz costs 64.303 real_cost = 39.263 T0370.try50-opt2.pdb.gz costs 64.303 real_cost = 38.317 T0370.try50-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.167 real_cost = 36.749 T0370.try50-opt2.gromacs0.pdb.gz costs 45.167 real_cost = 36.167 T0370.try50-opt1.pdb.gz costs 64.042 real_cost = 38.767 T0370.try50-opt1-scwrl.pdb.gz costs 64.042 real_cost = 38.758 T0370.try5-opt2.repack-nonPC.pdb.gz costs 55.816 real_cost = 9.387 T0370.try5-opt2.pdb.gz costs 55.816 real_cost = 2.197 T0370.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.908 real_cost = -2.154 T0370.try5-opt2.gromacs0.pdb.gz costs 51.908 real_cost = -2.269 T0370.try5-opt1.pdb.gz costs 59.258 real_cost = 2.221 T0370.try5-opt1-scwrl.pdb.gz costs 59.258 real_cost = 0.977 T0370.try49-opt2.repack-nonPC.pdb.gz costs 60.882 real_cost = 84.138 T0370.try49-opt2.pdb.gz costs 60.882 real_cost = 77.427 T0370.try49-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.419 real_cost = 82.413 T0370.try49-opt2.gromacs0.pdb.gz costs 51.419 real_cost = 73.972 T0370.try49-opt1.pdb.gz costs 56.348 real_cost = 76.100 T0370.try49-opt1-scwrl.pdb.gz costs 56.348 real_cost = 77.225 T0370.try48-opt1.pdb.gz costs 70.598 real_cost = 71.947 T0370.try48-opt1-scwrl.pdb.gz costs 70.598 real_cost = 70.714 T0370.try47-opt2.repack-nonPC.pdb.gz costs 67.373 real_cost = 54.992 T0370.try47-opt2.pdb.gz costs 67.373 real_cost = 55.182 T0370.try47-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.299 real_cost = 52.357 T0370.try47-opt2.gromacs0.pdb.gz costs 45.299 real_cost = 53.858 T0370.try47-opt1.pdb.gz costs 66.194 real_cost = 55.531 T0370.try47-opt1-scwrl.pdb.gz costs 66.194 real_cost = 53.810 T0370.try46-opt2.repack-nonPC.pdb.gz costs 62.831 real_cost = -11.554 T0370.try46-opt2.pdb.gz costs 62.831 real_cost = -9.846 T0370.try46-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.424 real_cost = -12.863 T0370.try46-opt2.gromacs0.pdb.gz costs 50.424 real_cost = -11.336 T0370.try46-opt1.pdb.gz costs 59.398 real_cost = -12.420 T0370.try46-opt1-scwrl.pdb.gz costs 59.398 real_cost = -15.620 T0370.try45-opt2.repack-nonPC.pdb.gz costs 63.503 real_cost = 65.737 T0370.try45-opt2.pdb.gz costs 63.503 real_cost = 64.675 T0370.try45-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.736 real_cost = 63.217 T0370.try45-opt2.gromacs0.pdb.gz costs 44.736 real_cost = 62.886 T0370.try45-opt1.pdb.gz costs 63.593 real_cost = 65.441 T0370.try45-opt1-scwrl.pdb.gz costs 63.593 real_cost = 64.791 T0370.try44-opt2.pdb.gz costs 62.424 real_cost = 56.569 T0370.try44-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.403 real_cost = 54.316 T0370.try44-opt2.gromacs0.pdb.gz costs 45.403 real_cost = 54.947 T0370.try44-opt1.pdb.gz costs 62.058 real_cost = 56.632 T0370.try44-opt1-scwrl.pdb.gz costs 62.058 real_cost = 56.854 T0370.try43-opt2.repack-nonPC.pdb.gz costs 70.579 real_cost = 41.707 T0370.try43-opt2.pdb.gz costs 70.579 real_cost = 43.321 T0370.try43-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.424 real_cost = 56.047 T0370.try43-opt2.gromacs0.pdb.gz costs 47.588 real_cost = 40.630 T0370.try43-opt1.pdb.gz costs 71.191 real_cost = 42.118 T0370.try43-opt1-scwrl.pdb.gz costs 71.191 real_cost = 40.048 T0370.try42-opt2.repack-nonPC.pdb.gz costs 64.084 real_cost = 77.488 T0370.try42-opt2.pdb.gz costs 64.084 real_cost = 79.134 T0370.try42-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.952 real_cost = 74.070 T0370.try42-opt2.gromacs0.pdb.gz costs 47.952 real_cost = 77.011 T0370.try42-opt1.pdb.gz costs 64.083 real_cost = 67.909 T0370.try42-opt1-scwrl.pdb.gz costs 64.083 real_cost = 66.455 T0370.try41-opt2.repack-nonPC.pdb.gz costs 63.185 real_cost = 57.820 T0370.try41-opt2.pdb.gz costs 63.185 real_cost = 55.965 T0370.try41-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.161 real_cost = 55.714 T0370.try41-opt2.gromacs0.pdb.gz costs 45.161 real_cost = 57.354 T0370.try41-opt1.pdb.gz costs 61.316 real_cost = 59.954 T0370.try41-opt1-scwrl.pdb.gz costs 61.316 real_cost = 58.205 T0370.try40-opt2.repack-nonPC.pdb.gz costs 70.056 real_cost = 68.917 T0370.try40-opt2.pdb.gz costs 70.056 real_cost = 69.770 T0370.try40-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.297 real_cost = 62.256 T0370.try40-opt2.gromacs0.pdb.gz costs 46.297 real_cost = 64.870 T0370.try40-opt1.pdb.gz costs 66.157 real_cost = 68.836 T0370.try40-opt1-scwrl.pdb.gz costs 66.157 real_cost = 68.570 T0370.try4-opt2.repack-nonPC.pdb.gz costs 74.499 real_cost = 58.780 T0370.try4-opt2.pdb.gz costs 74.499 real_cost = 56.016 T0370.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.668 real_cost = 52.430 T0370.try4-opt2.gromacs0.pdb.gz costs 62.668 real_cost = 55.487 T0370.try4-opt1.pdb.gz costs 74.963 real_cost = 49.449 T0370.try4-opt1-scwrl.pdb.gz costs 74.963 real_cost = 51.431 T0370.try39-opt2.repack-nonPC.pdb.gz costs 64.910 real_cost = 65.335 T0370.try39-opt2.pdb.gz costs 64.910 real_cost = 65.567 T0370.try39-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.510 real_cost = 63.194 T0370.try39-opt2.gromacs0.pdb.gz costs 45.510 real_cost = 64.913 T0370.try39-opt1.pdb.gz costs 63.765 real_cost = 63.061 T0370.try39-opt1-scwrl.pdb.gz costs 63.765 real_cost = 63.656 T0370.try38-opt2.repack-nonPC.pdb.gz costs 67.648 real_cost = 39.048 T0370.try38-opt2.pdb.gz costs 67.648 real_cost = 40.464 T0370.try38-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.094 real_cost = 39.544 T0370.try38-opt2.gromacs0.pdb.gz costs 47.094 real_cost = 39.103 T0370.try38-opt1.pdb.gz costs 64.174 real_cost = 41.808 T0370.try38-opt1-scwrl.pdb.gz costs 64.174 real_cost = 44.246 T0370.try37-opt2.repack-nonPC.pdb.gz costs 67.289 real_cost = 56.256 T0370.try37-opt2.pdb.gz costs 67.289 real_cost = 55.594 T0370.try37-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.857 real_cost = 52.466 T0370.try37-opt2.gromacs0.pdb.gz costs 45.857 real_cost = 53.904 T0370.try37-opt1.pdb.gz costs 61.504 real_cost = 53.373 T0370.try37-opt1-scwrl.pdb.gz costs 61.504 real_cost = 53.149 T0370.try36-opt2.repack-nonPC.pdb.gz costs 60.269 real_cost = 20.151 T0370.try36-opt2.pdb.gz costs 60.269 real_cost = 18.214 T0370.try36-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.820 real_cost = 15.242 T0370.try36-opt2.gromacs0.pdb.gz costs 49.820 real_cost = 15.423 T0370.try36-opt1.pdb.gz costs 56.016 real_cost = 14.410 T0370.try36-opt1-scwrl.pdb.gz costs 56.016 real_cost = 14.501 T0370.try35-opt2.repack-nonPC.pdb.gz costs 68.110 real_cost = 36.975 T0370.try35-opt2.pdb.gz costs 68.110 real_cost = 40.991 T0370.try35-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.611 real_cost = 40.769 T0370.try35-opt2.gromacs0.pdb.gz costs 57.611 real_cost = 40.556 T0370.try35-opt1.pdb.gz costs 63.698 real_cost = 32.803 T0370.try35-opt1-scwrl.pdb.gz costs 63.698 real_cost = 33.525 T0370.try34-opt2.repack-nonPC.pdb.gz costs 71.352 real_cost = 40.646 T0370.try34-opt2.pdb.gz costs 71.352 real_cost = 42.694 T0370.try34-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.282 real_cost = 38.781 T0370.try34-opt2.gromacs0.pdb.gz costs 48.282 real_cost = 41.040 T0370.try34-opt1.pdb.gz costs 70.682 real_cost = 41.340 T0370.try34-opt1-scwrl.pdb.gz costs 70.682 real_cost = 39.583 T0370.try33-opt2.repack-nonPC.pdb.gz costs 60.868 real_cost = 34.080 T0370.try33-opt2.pdb.gz costs 60.868 real_cost = 37.195 T0370.try33-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.225 real_cost = 31.792 T0370.try33-opt2.gromacs0.pdb.gz costs 51.225 real_cost = 34.626 T0370.try33-opt1.pdb.gz costs 56.101 real_cost = 36.371 T0370.try33-opt1-scwrl.pdb.gz costs 56.101 real_cost = 34.123 T0370.try32-opt2.repack-nonPC.pdb.gz costs 61.452 real_cost = 40.235 T0370.try32-opt2.pdb.gz costs 61.452 real_cost = 42.771 T0370.try32-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.235 real_cost = 42.117 T0370.try32-opt2.gromacs0.pdb.gz costs 48.235 real_cost = 44.767 T0370.try32-opt1.pdb.gz costs 60.252 real_cost = 47.955 T0370.try32-opt1-scwrl.pdb.gz costs 60.252 real_cost = 45.037 T0370.try31-opt2.repack-nonPC.pdb.gz costs 63.488 real_cost = 45.354 T0370.try31-opt2.pdb.gz costs 63.488 real_cost = 41.006 T0370.try31-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.155 real_cost = 41.198 T0370.try31-opt2.gromacs0.pdb.gz costs 46.155 real_cost = 39.831 T0370.try31-opt1.pdb.gz costs 63.939 real_cost = 40.610 T0370.try31-opt1-scwrl.pdb.gz costs 63.939 real_cost = 42.282 T0370.try30-opt2.repack-nonPC.pdb.gz costs 64.921 real_cost = 41.463 T0370.try30-opt2.pdb.gz costs 64.921 real_cost = 38.086 T0370.try30-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.700 real_cost = 39.448 T0370.try30-opt2.gromacs0.pdb.gz costs 45.700 real_cost = 36.382 T0370.try30-opt1.pdb.gz costs 68.394 real_cost = 39.383 T0370.try30-opt1-scwrl.pdb.gz costs 68.394 real_cost = 40.453 T0370.try3-opt2.repack-nonPC.pdb.gz costs 73.348 real_cost = 43.076 T0370.try3-opt2.pdb.gz costs 73.348 real_cost = 36.523 T0370.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.037 real_cost = 33.696 T0370.try3-opt2.gromacs0.pdb.gz costs 56.037 real_cost = 33.906 T0370.try3-opt1.pdb.gz costs 68.628 real_cost = 33.655 T0370.try3-opt1-scwrl.pdb.gz costs 68.628 real_cost = 35.965 T0370.try29-opt2.repack-nonPC.pdb.gz costs 75.084 real_cost = 50.297 T0370.try29-opt2.pdb.gz costs 75.084 real_cost = 48.134 T0370.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.689 real_cost = 47.076 T0370.try29-opt2.gromacs0.pdb.gz costs 64.689 real_cost = 45.864 T0370.try29-opt1.pdb.gz costs 69.084 real_cost = 45.966 T0370.try29-opt1-scwrl.pdb.gz costs 69.084 real_cost = 44.076 T0370.try28-opt2.repack-nonPC.pdb.gz costs 77.957 real_cost = 52.375 T0370.try28-opt2.pdb.gz costs 77.957 real_cost = 47.134 T0370.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 65.046 real_cost = 47.059 T0370.try28-opt2.gromacs0.pdb.gz costs 65.046 real_cost = 44.303 T0370.try28-opt1.pdb.gz costs 71.209 real_cost = 44.461 T0370.try28-opt1-scwrl.pdb.gz costs 71.209 real_cost = 43.491 T0370.try27-opt2.repack-nonPC.pdb.gz costs 67.194 real_cost = 42.311 T0370.try27-opt2.pdb.gz costs 67.194 real_cost = 38.619 T0370.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.640 real_cost = 40.269 T0370.try27-opt2.gromacs0.pdb.gz costs 45.640 real_cost = 38.786 T0370.try27-opt1.pdb.gz costs 67.576 real_cost = 41.292 T0370.try27-opt1-scwrl.pdb.gz costs 67.576 real_cost = 37.555 T0370.try26-opt2.repack-nonPC.pdb.gz costs 67.998 real_cost = -5.607 T0370.try26-opt2.pdb.gz costs 67.998 real_cost = -3.614 T0370.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.465 real_cost = -7.849 T0370.try26-opt2.gromacs0.pdb.gz costs 55.465 real_cost = -6.578 T0370.try26-opt1.pdb.gz costs 63.163 real_cost = 0.569 T0370.try26-opt1-scwrl.pdb.gz costs 63.163 real_cost = 2.023 T0370.try25-opt2.repack-nonPC.pdb.gz costs 70.047 real_cost = 43.796 T0370.try25-opt2.pdb.gz costs 70.047 real_cost = 42.568 T0370.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.878 real_cost = 39.195 T0370.try25-opt2.gromacs0.pdb.gz costs 47.878 real_cost = 41.203 T0370.try25-opt1.pdb.gz costs 64.688 real_cost = 40.244 T0370.try25-opt1-scwrl.pdb.gz costs 64.688 real_cost = 35.745 T0370.try24-opt2.repack-nonPC.pdb.gz costs 69.119 real_cost = 2.391 T0370.try24-opt2.pdb.gz costs 69.119 real_cost = 1.398 T0370.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.318 real_cost = -0.505 T0370.try24-opt2.gromacs0.pdb.gz costs 59.318 real_cost = -3.004 T0370.try24-opt1.pdb.gz costs 67.745 real_cost = 3.705 T0370.try24-opt1-scwrl.pdb.gz costs 67.745 real_cost = 2.044 T0370.try23-opt2.repack-nonPC.pdb.gz costs 52.110 real_cost = 58.467 T0370.try23-opt2.pdb.gz costs 52.110 real_cost = 58.094 T0370.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.541 real_cost = 59.009 T0370.try23-opt2.gromacs0.pdb.gz costs 47.541 real_cost = 58.310 T0370.try23-opt1.pdb.gz costs 51.416 real_cost = 57.791 T0370.try23-opt1-scwrl.pdb.gz costs 51.416 real_cost = 58.144 T0370.try22-opt2.repack-nonPC.pdb.gz costs 64.267 real_cost = 11.667 T0370.try22-opt2.pdb.gz costs 64.267 real_cost = 13.906 T0370.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.134 real_cost = 10.300 T0370.try22-opt2.gromacs0.pdb.gz costs 57.134 real_cost = 14.886 T0370.try22-opt1.pdb.gz costs 65.474 real_cost = 15.735 T0370.try22-opt1-scwrl.pdb.gz costs 65.474 real_cost = 12.701 T0370.try21-opt2.repack-nonPC.pdb.gz costs 66.142 real_cost = 47.159 T0370.try21-opt2.pdb.gz costs 66.142 real_cost = 46.761 T0370.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.384 real_cost = 46.588 T0370.try21-opt2.gromacs0.pdb.gz costs 58.384 real_cost = 48.125 T0370.try21-opt1.pdb.gz costs 64.389 real_cost = 49.352 T0370.try21-opt1-scwrl.pdb.gz costs 64.389 real_cost = 46.069 T0370.try20-opt2.repack-nonPC.pdb.gz costs 59.990 real_cost = 62.691 T0370.try20-opt2.pdb.gz costs 59.990 real_cost = 62.438 T0370.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.683 real_cost = 61.194 T0370.try20-opt2.gromacs0.pdb.gz costs 45.683 real_cost = 61.767 T0370.try20-opt1.pdb.gz costs 55.913 real_cost = 60.156 T0370.try20-opt1-scwrl.pdb.gz costs 55.913 real_cost = 61.980 T0370.try2-opt2.repack-nonPC.pdb.gz costs 70.484 real_cost = 37.718 T0370.try2-opt2.pdb.gz costs 70.484 real_cost = 35.909 T0370.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.425 real_cost = 36.718 T0370.try2-opt2.gromacs0.pdb.gz costs 58.425 real_cost = 35.741 T0370.try2-opt1.pdb.gz costs 65.448 real_cost = 33.701 T0370.try2-opt1-scwrl.pdb.gz costs 65.448 real_cost = 34.803 T0370.try19-opt2.repack-nonPC.pdb.gz costs 60.781 real_cost = 43.694 T0370.try19-opt2.pdb.gz costs 60.781 real_cost = 42.407 T0370.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.873 real_cost = 36.439 T0370.try19-opt2.gromacs0.pdb.gz costs 57.873 real_cost = 38.396 T0370.try19-opt1.pdb.gz costs 63.266 real_cost = 38.913 T0370.try19-opt1-scwrl.pdb.gz costs 63.266 real_cost = 39.317 T0370.try18-opt2.repack-nonPC.pdb.gz costs 68.467 real_cost = 45.348 T0370.try18-opt2.pdb.gz costs 68.467 real_cost = 40.326 T0370.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.198 real_cost = 33.179 T0370.try18-opt2.gromacs0.pdb.gz costs 60.198 real_cost = 34.320 T0370.try18-opt1.pdb.gz costs 63.221 real_cost = 39.229 T0370.try18-opt1-scwrl.pdb.gz costs 63.221 real_cost = 37.326 T0370.try17-opt2.repack-nonPC.pdb.gz costs 62.487 real_cost = -2.253 T0370.try17-opt2.pdb.gz costs 62.487 real_cost = -2.013 T0370.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.882 real_cost = -3.168 T0370.try17-opt2.gromacs0.pdb.gz costs 56.882 real_cost = -2.468 T0370.try17-opt1.pdb.gz costs 63.734 real_cost = 0.655 T0370.try17-opt1-scwrl.pdb.gz costs 63.734 real_cost = -0.525 T0370.try16-opt2.repack-nonPC.pdb.gz costs 63.934 real_cost = 80.900 T0370.try16-opt2.pdb.gz costs 63.934 real_cost = 82.616 T0370.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.826 real_cost = 74.556 T0370.try16-opt2.gromacs0.pdb.gz costs 57.826 real_cost = 78.471 T0370.try16-opt1.pdb.gz costs 62.410 real_cost = 80.629 T0370.try16-opt1-scwrl.pdb.gz costs 62.410 real_cost = 79.030 T0370.try15-opt2.repack-nonPC.pdb.gz costs 66.243 real_cost = 20.544 T0370.try15-opt2.pdb.gz costs 62.148 real_cost = 14.055 T0370.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.201 real_cost = 16.560 T0370.try15-opt2.gromacs0.pdb.gz costs 58.201 real_cost = 16.915 T0370.try15-opt1.pdb.gz costs 62.930 real_cost = 12.201 T0370.try15-opt1-scwrl.pdb.gz costs 62.930 real_cost = 10.793 T0370.try14-opt2.repack-nonPC.pdb.gz costs 70.367 real_cost = 9.788 T0370.try14-opt2.pdb.gz costs 70.367 real_cost = 9.355 T0370.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.626 real_cost = 4.231 T0370.try14-opt2.gromacs0.pdb.gz costs 60.626 real_cost = 1.735 T0370.try14-opt1.pdb.gz costs 68.527 real_cost = 8.460 T0370.try14-opt1-scwrl.pdb.gz costs 68.527 real_cost = 6.519 T0370.try13-opt2.repack-nonPC.pdb.gz costs 76.237 real_cost = 46.848 T0370.try13-opt2.pdb.gz costs 76.237 real_cost = 43.597 T0370.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.456 real_cost = 43.394 T0370.try13-opt2.gromacs0.pdb.gz costs 58.456 real_cost = 41.825 T0370.try13-opt1.pdb.gz costs 70.163 real_cost = 42.693 T0370.try13-opt1-scwrl.pdb.gz costs 70.163 real_cost = 43.846 T0370.try12-opt2.repack-nonPC.pdb.gz costs 66.666 real_cost = 59.289 T0370.try12-opt2.pdb.gz costs 66.666 real_cost = 58.853 T0370.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.405 real_cost = 56.231 T0370.try12-opt2.gromacs0.pdb.gz costs 60.405 real_cost = 58.494 T0370.try12-opt1.pdb.gz costs 68.184 real_cost = 53.314 T0370.try12-opt1-scwrl.pdb.gz costs 68.184 real_cost = 53.532 T0370.try11-opt2.repack-nonPC.pdb.gz costs 59.672 real_cost = 10.937 T0370.try11-opt2.pdb.gz costs 59.672 real_cost = 7.030 T0370.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.091 real_cost = 7.303 T0370.try11-opt2.gromacs0.pdb.gz costs 54.091 real_cost = 7.270 T0370.try11-opt1.pdb.gz costs 57.545 real_cost = 7.356 T0370.try11-opt1-scwrl.pdb.gz costs 57.545 real_cost = 8.789 T0370.try10-opt2.repack-nonPC.pdb.gz costs 65.779 real_cost = -6.551 T0370.try10-opt2.pdb.gz costs 65.779 real_cost = -8.486 T0370.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.606 real_cost = -7.967 T0370.try10-opt2.gromacs0.pdb.gz costs 56.606 real_cost = -12.662 T0370.try10-opt1.pdb.gz costs 64.999 real_cost = -10.087 T0370.try10-opt1-scwrl.pdb.gz costs 64.999 real_cost = -11.193 T0370.try1-opt2.repack-nonPC.pdb.gz costs 75.757 real_cost = 1.595 T0370.try1-opt2.pdb.gz costs 75.757 real_cost = -1.941 T0370.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.839 real_cost = 0.051 T0370.try1-opt2.gromacs0.pdb.gz costs 55.839 real_cost = -2.640 T0370.try1-opt1.pdb.gz costs 67.278 real_cost = 0.670 T0370.try1-opt1-scwrl.pdb.gz costs 67.278 real_cost = -1.793 ../refine.model5.ts-submitted costs 62.259 real_cost = -93.234 ../refine.model4.ts-submitted costs 76.995 real_cost = -81.251 ../refine.model3.ts-submitted costs 57.257 real_cost = -85.063 ../refine.model2.ts-submitted costs 51.506 real_cost = -89.331 ../refine.model1.ts-submitted costs 54.927 real_cost = -85.239 ../model5.ts-submitted costs 72.190 real_cost = 42.541 ../model4.ts-submitted costs 66.746 real_cost = 55.204 ../model3.ts-submitted costs 50.424 real_cost = -12.893 ../model2.ts-submitted costs 62.424 real_cost = 56.568 ../model1.ts-submitted costs 65.600 real_cost = 29.650 align5 costs 86.242 real_cost = 93.487 align4 costs 78.255 real_cost = 49.337 align3 costs 61.407 real_cost = -18.397 align2 costs 64.014 real_cost = 35.798 align1 costs 80.103 real_cost = 36.192 T0370.try1-opt2.pdb costs 75.757 real_cost = -1.941 model5-scwrl costs 72.190 real_cost = 43.168 model5.ts-submitted costs 72.190 real_cost = 42.541 model4-scwrl costs 66.746 real_cost = 53.983 model4.ts-submitted costs 66.746 real_cost = 55.204 model3-scwrl costs 50.424 real_cost = -13.995 model3.ts-submitted costs 50.424 real_cost = -12.893 model2-scwrl costs 62.424 real_cost = 56.142 model2.ts-submitted costs 62.424 real_cost = 56.568 model1-scwrl costs 65.600 real_cost = 28.979 model1.ts-submitted costs 65.600 real_cost = 29.641 2iabA costs 41.409 real_cost = -889.000 # command:CPU_time= 1849.612 sec, elapsed time= 5010.905 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/T0370'