make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0363' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0363.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/T0363.} ;\ 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/T0363/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hj1A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183243068 # 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= 9.395 sec, elapsed time= 19.259 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= 9.518 sec, elapsed time= 19.580 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0363 numbered 1 through 97 Created new target T0363 from T0363.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hj1A expands to /projects/compbio/data/pdb/2hj1.pdb.gz 2hj1A:Skipped atom 152, because occupancy 0.5 <= existing 0.500 in 2hj1A Skipped atom 154, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 156, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 158, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 160, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 162, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 164, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 166, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 168, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 176, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 178, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 180, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 182, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 184, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 186, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 188, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 190, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 192, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 194, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 196, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 257, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 259, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 261, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 263, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 265, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 267, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 269, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 271, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 273, because occupancy 0.300 <= existing 0.700 in 2hj1A Skipped atom 409, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 411, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 413, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 415, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 417, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 419, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 421, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 478, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 482, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 484, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 486, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 488, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 490, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 492, because occupancy 0.500 <= existing 0.500 in 2hj1A Skipped atom 494, because occupancy 0.500 <= existing 0.500 in 2hj1A Read 77 residues and 624 atoms. # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 13.562 sec, elapsed time= 28.168 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 84 # 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 = -53.247 # GDT_score(maxd=8.000,maxw=2.900)= -55.623 # GDT_score(maxd=8.000,maxw=3.200)= -52.692 # GDT_score(maxd=8.000,maxw=3.500)= -49.617 # GDT_score(maxd=10.000,maxw=3.800)= -51.884 # GDT_score(maxd=10.000,maxw=4.000)= -49.960 # GDT_score(maxd=10.000,maxw=4.200)= -48.138 # GDT_score(maxd=12.000,maxw=4.300)= -51.372 # GDT_score(maxd=12.000,maxw=4.500)= -49.608 # GDT_score(maxd=12.000,maxw=4.700)= -47.995 # GDT_score(maxd=14.000,maxw=5.200)= -47.633 # GDT_score(maxd=14.000,maxw=5.500)= -45.559 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0363.model1-real.pdb for output Error: Couldn't open file T0363.model1-real.pdb for output superimposing iter= 0 total_weight= 932.000 rmsd (weighted)= 10.370 (unweighted)= 35.932 superimposing iter= 1 total_weight= 2146.389 rmsd (weighted)= 4.727 (unweighted)= 35.351 superimposing iter= 2 total_weight= 1456.956 rmsd (weighted)= 2.800 (unweighted)= 34.830 superimposing iter= 3 total_weight= 1107.907 rmsd (weighted)= 2.021 (unweighted)= 34.627 superimposing iter= 4 total_weight= 821.194 rmsd (weighted)= 1.740 (unweighted)= 34.552 superimposing iter= 5 total_weight= 708.567 rmsd (weighted)= 1.621 (unweighted)= 34.503 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 27.631 39.699 31.277 1.00 0.00 ATOM 2 CA MET A 1 26.717 40.854 31.245 1.00 0.00 ATOM 3 CB MET A 1 26.444 41.287 29.803 1.00 0.00 ATOM 4 CG MET A 1 27.680 41.908 29.139 1.00 0.00 ATOM 5 SD MET A 1 27.350 42.429 27.416 1.00 0.00 ATOM 6 CE MET A 1 26.391 43.906 27.688 1.00 0.00 ATOM 7 O MET A 1 25.234 39.443 32.511 1.00 0.00 ATOM 8 C MET A 1 25.426 40.540 32.009 1.00 0.00 ATOM 9 N ALA A 2 24.609 41.576 32.163 1.00 0.00 ATOM 10 CA ALA A 2 23.368 41.444 32.913 1.00 0.00 ATOM 11 CB ALA A 2 22.626 42.782 32.949 1.00 0.00 ATOM 12 O ALA A 2 21.895 39.560 33.038 1.00 0.00 ATOM 13 C ALA A 2 22.466 40.374 32.314 1.00 0.00 ATOM 14 N HIS A 3 22.357 40.344 30.991 1.00 0.00 ATOM 15 CA HIS A 3 21.506 39.344 30.345 1.00 0.00 ATOM 16 CB HIS A 3 21.176 39.711 28.889 1.00 0.00 ATOM 17 CG HIS A 3 22.368 39.975 28.020 1.00 0.00 ATOM 18 CD2 HIS A 3 23.437 40.789 28.193 1.00 0.00 ATOM 19 ND1 HIS A 3 22.517 39.415 26.768 1.00 0.00 ATOM 20 CE1 HIS A 3 23.621 39.876 26.208 1.00 0.00 ATOM 21 NE2 HIS A 3 24.196 40.714 27.052 1.00 0.00 ATOM 22 O HIS A 3 21.313 36.953 30.603 1.00 0.00 ATOM 23 C HIS A 3 22.060 37.928 30.404 1.00 0.00 ATOM 24 N HIS A 4 23.378 37.817 30.337 1.00 0.00 ATOM 25 CA HIS A 4 24.002 36.506 30.418 1.00 0.00 ATOM 26 CB HIS A 4 25.463 36.636 30.063 1.00 0.00 ATOM 27 CG HIS A 4 25.674 37.031 28.649 1.00 0.00 ATOM 28 CD2 HIS A 4 25.193 36.495 27.503 1.00 0.00 ATOM 29 ND1 HIS A 4 26.465 38.089 28.279 1.00 0.00 ATOM 30 CE1 HIS A 4 26.487 38.177 26.959 1.00 0.00 ATOM 31 NE2 HIS A 4 25.721 37.221 26.466 1.00 0.00 ATOM 32 O HIS A 4 23.504 34.725 31.992 1.00 0.00 ATOM 33 C HIS A 4 23.833 35.914 31.835 1.00 0.00 ATOM 34 N HIS A 5 24.021 36.750 32.848 1.00 0.00 ATOM 35 CA HIS A 5 23.865 36.313 34.232 1.00 0.00 ATOM 36 CB HIS A 5 24.315 37.432 35.177 1.00 0.00 ATOM 37 CG HIS A 5 25.792 37.680 35.157 1.00 0.00 ATOM 38 CD2 HIS A 5 26.811 36.950 34.648 1.00 0.00 ATOM 39 ND1 HIS A 5 26.365 38.807 35.711 1.00 0.00 ATOM 40 CE1 HIS A 5 27.675 38.755 35.546 1.00 0.00 ATOM 41 NE2 HIS A 5 27.970 37.639 34.902 1.00 0.00 ATOM 42 O HIS A 5 22.156 34.895 35.215 1.00 0.00 ATOM 43 C HIS A 5 22.408 35.927 34.570 1.00 0.00 ATOM 44 N HIS A 6 21.466 36.746 34.111 1.00 0.00 ATOM 45 CA HIS A 6 20.052 36.474 34.344 1.00 0.00 ATOM 46 CB HIS A 6 19.205 37.654 33.859 1.00 0.00 ATOM 47 CG HIS A 6 19.350 38.886 34.699 1.00 0.00 ATOM 48 CD2 HIS A 6 19.882 39.067 35.932 1.00 0.00 ATOM 49 ND1 HIS A 6 18.914 40.126 34.285 1.00 0.00 ATOM 50 CE1 HIS A 6 19.171 41.017 35.227 1.00 0.00 ATOM 51 NE2 HIS A 6 19.759 40.400 36.234 1.00 0.00 ATOM 52 O HIS A 6 18.855 34.385 34.226 1.00 0.00 ATOM 53 C HIS A 6 19.614 35.180 33.660 1.00 0.00 ATOM 54 N HIS A 7 20.109 34.943 32.410 1.00 0.00 ATOM 55 CA HIS A 7 19.766 33.747 31.642 1.00 0.00 ATOM 56 CB HIS A 7 20.265 33.914 30.201 1.00 0.00 ATOM 57 CG HIS A 7 19.480 34.910 29.405 1.00 0.00 ATOM 58 CD2 HIS A 7 18.279 35.490 29.636 1.00 0.00 ATOM 59 ND1 HIS A 7 19.930 35.421 28.207 1.00 0.00 ATOM 60 CE1 HIS A 7 19.036 36.273 27.733 1.00 0.00 ATOM 61 NE2 HIS A 7 18.027 36.333 28.581 1.00 0.00 ATOM 62 O HIS A 7 19.626 31.501 32.414 1.00 0.00 ATOM 63 C HIS A 7 20.337 32.482 32.276 1.00 0.00 ATOM 64 N HIS A 8 21.596 32.544 32.727 1.00 0.00 ATOM 65 CA HIS A 8 22.249 31.409 33.413 1.00 0.00 ATOM 66 CB HIS A 8 23.693 31.758 33.795 1.00 0.00 ATOM 67 CG HIS A 8 24.428 30.635 34.455 1.00 0.00 ATOM 68 CD2 HIS A 8 24.824 30.462 35.739 1.00 0.00 ATOM 69 ND1 HIS A 8 24.843 29.512 33.773 1.00 0.00 ATOM 70 CE1 HIS A 8 25.463 28.697 34.608 1.00 0.00 ATOM 71 NE2 HIS A 8 25.464 29.248 35.806 1.00 0.00 ATOM 72 O HIS A 8 21.203 29.823 34.869 1.00 0.00 ATOM 73 C HIS A 8 21.451 31.039 34.649 1.00 0.00 ATOM 74 N SER A 9 21.116 32.016 35.487 1.00 0.00 ATOM 75 CA SER A 9 20.351 31.702 36.712 1.00 0.00 ATOM 76 CB SER A 9 20.061 32.949 37.566 1.00 0.00 ATOM 77 OG SER A 9 21.362 33.342 37.932 1.00 0.00 ATOM 78 O SER A 9 18.537 30.168 37.039 1.00 0.00 ATOM 79 C SER A 9 18.978 31.112 36.390 1.00 0.00 ATOM 80 N LEU A 10 18.274 31.672 35.433 1.00 0.00 ATOM 81 CA LEU A 10 16.940 31.216 35.043 1.00 0.00 ATOM 82 CB LEU A 10 16.131 32.418 34.536 1.00 0.00 ATOM 83 CG LEU A 10 15.869 33.513 35.576 1.00 0.00 ATOM 84 CD1 LEU A 10 15.150 34.688 34.925 1.00 0.00 ATOM 85 CD2 LEU A 10 15.044 32.942 36.719 1.00 0.00 ATOM 86 O LEU A 10 15.957 29.701 33.463 1.00 0.00 ATOM 87 C LEU A 10 16.996 30.199 33.904 1.00 0.00 ATOM 88 N ASN A 11 18.199 29.871 33.393 1.00 0.00 ATOM 89 CA ASN A 11 18.362 28.924 32.296 1.00 0.00 ATOM 90 CB ASN A 11 18.914 27.621 32.713 1.00 0.00 ATOM 91 CG ASN A 11 18.977 26.621 31.573 1.00 0.00 ATOM 92 ND2 ASN A 11 18.242 25.523 31.713 1.00 0.00 ATOM 93 OD1 ASN A 11 19.680 26.829 30.583 1.00 0.00 ATOM 94 O ASN A 11 16.768 28.574 30.528 1.00 0.00 ATOM 95 C ASN A 11 17.562 29.347 31.074 1.00 0.00 ATOM 96 N GLN A 12 17.734 30.585 30.670 1.00 0.00 ATOM 97 CA GLN A 12 17.015 31.148 29.537 1.00 0.00 ATOM 98 CB GLN A 12 17.155 32.672 29.567 1.00 0.00 ATOM 99 CG GLN A 12 16.306 33.354 30.627 1.00 0.00 ATOM 100 CD GLN A 12 14.830 33.362 30.269 1.00 0.00 ATOM 101 OE1 GLN A 12 14.449 33.732 29.156 1.00 0.00 ATOM 102 NE2 GLN A 12 13.992 32.956 31.216 1.00 0.00 ATOM 103 O GLN A 12 18.838 30.570 28.070 1.00 0.00 ATOM 104 C GLN A 12 17.620 30.596 28.240 1.00 0.00 ATOM 105 N ILE A 13 16.742 30.237 27.312 1.00 0.00 ATOM 106 CA ILE A 13 17.169 29.685 26.015 1.00 0.00 ATOM 107 CB ILE A 13 16.581 28.280 25.783 1.00 0.00 ATOM 108 CG1 ILE A 13 17.157 27.288 26.796 1.00 0.00 ATOM 109 CG2 ILE A 13 16.859 27.815 24.363 1.00 0.00 ATOM 110 CD1 ILE A 13 16.348 26.020 26.938 1.00 0.00 ATOM 111 O ILE A 13 15.550 31.048 24.845 1.00 0.00 ATOM 112 C ILE A 13 16.712 30.658 24.914 1.00 0.00 ATOM 113 N ASN A 14 17.667 31.193 24.196 1.00 0.00 ATOM 114 CA ASN A 14 17.352 32.116 23.108 1.00 0.00 ATOM 115 CB ASN A 14 18.452 33.173 22.944 1.00 0.00 ATOM 116 CG ASN A 14 17.962 34.221 21.940 1.00 0.00 ATOM 117 ND2 ASN A 14 17.779 35.448 22.380 1.00 0.00 ATOM 118 OD1 ASN A 14 17.726 33.890 20.783 1.00 0.00 ATOM 119 O ASN A 14 18.253 30.403 21.697 1.00 0.00 ATOM 120 C ASN A 14 17.439 31.338 21.795 1.00 0.00 ATOM 121 N ILE A 15 16.397 31.448 20.988 1.00 0.00 ATOM 122 CA ILE A 15 16.354 30.750 19.705 1.00 0.00 ATOM 123 CB ILE A 15 15.272 29.658 19.624 1.00 0.00 ATOM 124 CG1 ILE A 15 13.915 30.219 20.057 1.00 0.00 ATOM 125 CG2 ILE A 15 15.657 28.463 20.484 1.00 0.00 ATOM 126 CD1 ILE A 15 12.741 29.355 19.654 1.00 0.00 ATOM 127 O ILE A 15 15.322 32.749 18.838 1.00 0.00 ATOM 128 C ILE A 15 16.124 31.828 18.643 1.00 0.00 ATOM 129 N GLU A 16 16.658 31.554 17.464 1.00 0.00 ATOM 130 CA GLU A 16 16.434 32.406 16.291 1.00 0.00 ATOM 131 CB GLU A 16 17.738 32.627 15.521 1.00 0.00 ATOM 132 CG GLU A 16 17.596 33.501 14.283 1.00 0.00 ATOM 133 CD GLU A 16 18.919 33.698 13.601 1.00 0.00 ATOM 134 OE1 GLU A 16 19.896 33.166 14.072 1.00 0.00 ATOM 135 OE2 GLU A 16 18.939 34.287 12.544 1.00 0.00 ATOM 136 O GLU A 16 15.602 30.700 14.830 1.00 0.00 ATOM 137 C GLU A 16 15.381 31.769 15.395 1.00 0.00 ATOM 138 N ILE A 17 14.240 32.413 15.301 1.00 0.00 ATOM 139 CA ILE A 17 13.151 31.921 14.466 1.00 0.00 ATOM 140 CB ILE A 17 11.782 32.263 15.057 1.00 0.00 ATOM 141 CG1 ILE A 17 11.627 31.650 16.460 1.00 0.00 ATOM 142 CG2 ILE A 17 10.665 31.761 14.143 1.00 0.00 ATOM 143 CD1 ILE A 17 10.399 32.016 17.221 1.00 0.00 ATOM 144 O ILE A 17 13.385 33.810 13.012 1.00 0.00 ATOM 145 C ILE A 17 13.248 32.590 13.095 1.00 0.00 ATOM 146 N ALA A 18 13.213 31.767 12.062 1.00 0.00 ATOM 147 CA ALA A 18 13.192 32.217 10.660 1.00 0.00 ATOM 148 CB ALA A 18 14.353 31.603 9.870 1.00 0.00 ATOM 149 O ALA A 18 11.608 30.647 9.769 1.00 0.00 ATOM 150 C ALA A 18 11.871 31.825 10.016 1.00 0.00 ATOM 151 N TYR A 19 11.107 32.848 9.651 1.00 0.00 ATOM 152 CA TYR A 19 9.844 32.682 8.907 1.00 0.00 ATOM 153 CB TYR A 19 8.936 33.876 9.106 1.00 0.00 ATOM 154 CG TYR A 19 8.297 33.962 10.478 1.00 0.00 ATOM 155 CD1 TYR A 19 7.166 33.206 10.787 1.00 0.00 ATOM 156 CD2 TYR A 19 8.827 34.797 11.457 1.00 0.00 ATOM 157 CE1 TYR A 19 6.566 33.291 12.043 1.00 0.00 ATOM 158 CE2 TYR A 19 8.228 34.892 12.718 1.00 0.00 ATOM 159 CZ TYR A 19 7.100 34.130 12.992 1.00 0.00 ATOM 160 OH TYR A 19 6.499 34.205 14.218 1.00 0.00 ATOM 161 O TYR A 19 10.955 33.306 6.890 1.00 0.00 ATOM 162 C TYR A 19 10.087 32.612 7.409 1.00 0.00 ATOM 163 N ALA A 20 9.275 31.786 6.759 1.00 0.00 ATOM 164 CA ALA A 20 9.309 31.674 5.274 1.00 0.00 ATOM 165 CB ALA A 20 8.143 30.982 4.770 1.00 0.00 ATOM 166 O ALA A 20 10.225 33.396 3.844 1.00 0.00 ATOM 167 C ALA A 20 9.315 33.034 4.582 1.00 0.00 ATOM 168 N PHE A 21 8.347 33.860 4.992 1.00 0.00 ATOM 169 CA PHE A 21 8.181 35.216 4.473 1.00 0.00 ATOM 170 CB PHE A 21 6.963 35.296 3.570 1.00 0.00 ATOM 171 CG PHE A 21 7.020 34.366 2.390 1.00 0.00 ATOM 172 CD1 PHE A 21 6.677 33.023 2.527 1.00 0.00 ATOM 173 CD2 PHE A 21 7.394 34.839 1.135 1.00 0.00 ATOM 174 CE1 PHE A 21 6.699 32.161 1.428 1.00 0.00 ATOM 175 CE2 PHE A 21 7.420 33.987 0.027 1.00 0.00 ATOM 176 CZ PHE A 21 7.071 32.645 0.174 1.00 0.00 ATOM 177 O PHE A 21 7.599 35.829 6.710 1.00 0.00 ATOM 178 C PHE A 21 8.147 36.167 5.664 1.00 0.00 ATOM 179 N PRO A 22 8.686 37.369 5.483 1.00 0.00 ATOM 180 CA PRO A 22 8.644 38.389 6.542 1.00 0.00 ATOM 181 CB PRO A 22 9.826 39.281 6.163 1.00 0.00 ATOM 182 CG PRO A 22 9.760 39.285 4.680 1.00 0.00 ATOM 183 CD PRO A 22 9.465 37.829 4.325 1.00 0.00 ATOM 184 O PRO A 22 7.505 40.408 6.082 1.00 0.00 ATOM 185 C PRO A 22 7.394 39.248 6.534 1.00 0.00 ATOM 186 N GLU A 23 6.231 38.629 6.773 1.00 0.00 ATOM 187 CA GLU A 23 4.980 39.393 6.708 1.00 0.00 ATOM 188 CB GLU A 23 3.839 38.552 6.939 1.00 0.00 ATOM 189 CG GLU A 23 3.622 37.603 5.745 1.00 0.00 ATOM 190 CD GLU A 23 3.429 38.316 4.393 1.00 0.00 ATOM 191 OE1 GLU A 23 3.206 39.538 4.373 1.00 0.00 ATOM 192 OE2 GLU A 23 3.486 37.640 3.337 1.00 0.00 ATOM 193 O GLU A 23 4.726 41.611 7.567 1.00 0.00 ATOM 194 C GLU A 23 5.110 40.461 7.783 1.00 0.00 ATOM 195 N ARG A 24 5.715 40.005 8.987 1.00 0.00 ATOM 196 CA ARG A 24 5.940 40.917 10.099 1.00 0.00 ATOM 197 CB ARG A 24 5.599 40.403 11.422 1.00 0.00 ATOM 198 CG ARG A 24 4.087 40.324 11.594 1.00 0.00 ATOM 199 CD ARG A 24 3.422 41.705 11.503 1.00 0.00 ATOM 200 NE ARG A 24 3.969 42.529 12.559 1.00 0.00 ATOM 201 CZ ARG A 24 4.308 43.809 12.469 1.00 0.00 ATOM 202 NH1 ARG A 24 4.144 44.496 11.341 1.00 0.00 ATOM 203 NH2 ARG A 24 4.895 44.384 13.513 1.00 0.00 ATOM 204 O ARG A 24 8.018 42.210 10.222 1.00 0.00 ATOM 205 C ARG A 24 7.494 41.081 10.182 1.00 0.00 ATOM 206 N TYR A 25 8.198 39.908 10.238 1.00 0.00 ATOM 207 CA TYR A 25 9.680 39.916 10.202 1.00 0.00 ATOM 208 CB TYR A 25 10.286 39.739 11.587 1.00 0.00 ATOM 209 CG TYR A 25 9.876 40.861 12.521 1.00 0.00 ATOM 210 CD1 TYR A 25 10.630 42.016 12.580 1.00 0.00 ATOM 211 CD2 TYR A 25 8.714 40.731 13.271 1.00 0.00 ATOM 212 CE1 TYR A 25 10.178 43.050 13.389 1.00 0.00 ATOM 213 CE2 TYR A 25 8.277 41.771 14.074 1.00 0.00 ATOM 214 CZ TYR A 25 9.018 42.932 14.130 1.00 0.00 ATOM 215 OH TYR A 25 8.774 43.881 15.076 1.00 0.00 ATOM 216 O TYR A 25 9.516 37.588 9.690 1.00 0.00 ATOM 217 C TYR A 25 10.124 38.637 9.493 1.00 0.00 ATOM 218 N TYR A 26 11.308 38.690 8.894 1.00 0.00 ATOM 219 CA TYR A 26 11.946 37.487 8.331 1.00 0.00 ATOM 220 CB TYR A 26 13.086 37.883 7.390 1.00 0.00 ATOM 221 CG TYR A 26 13.719 36.713 6.668 1.00 0.00 ATOM 222 CD1 TYR A 26 13.080 36.107 5.596 1.00 0.00 ATOM 223 CD2 TYR A 26 14.956 36.221 7.059 1.00 0.00 ATOM 224 CE1 TYR A 26 13.652 35.040 4.934 1.00 0.00 ATOM 225 CE2 TYR A 26 15.538 35.154 6.403 1.00 0.00 ATOM 226 CZ TYR A 26 14.884 34.564 5.340 1.00 0.00 ATOM 227 OH TYR A 26 15.461 33.502 4.684 1.00 0.00 ATOM 228 O TYR A 26 12.436 35.312 9.278 1.00 0.00 ATOM 229 C TYR A 26 12.471 36.538 9.424 1.00 0.00 ATOM 230 N LEU A 27 12.892 37.124 10.527 1.00 0.00 ATOM 231 CA LEU A 27 13.485 36.400 11.654 1.00 0.00 ATOM 232 CB LEU A 27 14.976 36.147 11.395 1.00 0.00 ATOM 233 CG LEU A 27 15.823 37.408 11.170 1.00 0.00 ATOM 234 CD1 LEU A 27 16.264 37.986 12.509 1.00 0.00 ATOM 235 CD2 LEU A 27 17.028 37.065 10.308 1.00 0.00 ATOM 236 O LEU A 27 13.177 38.411 12.947 1.00 0.00 ATOM 237 C LEU A 27 13.286 37.181 12.944 1.00 0.00 ATOM 238 N LYS A 28 13.332 36.447 14.037 1.00 0.00 ATOM 239 CA LYS A 28 13.221 37.028 15.374 1.00 0.00 ATOM 240 CB LYS A 28 11.743 37.240 15.721 1.00 0.00 ATOM 241 CG LYS A 28 11.500 38.052 16.987 1.00 0.00 ATOM 242 CD LYS A 28 11.951 39.493 16.808 1.00 0.00 ATOM 243 CE LYS A 28 11.723 40.306 18.074 1.00 0.00 ATOM 244 NZ LYS A 28 12.526 39.787 19.213 1.00 0.00 ATOM 245 O LYS A 28 13.672 34.908 16.405 1.00 0.00 ATOM 246 C LYS A 28 13.854 36.118 16.419 1.00 0.00 ATOM 247 N SER A 29 14.525 36.776 17.345 1.00 0.00 ATOM 248 CA SER A 29 15.062 36.109 18.528 1.00 0.00 ATOM 249 CB SER A 29 16.276 36.861 19.042 1.00 0.00 ATOM 250 OG SER A 29 17.343 36.820 18.138 1.00 0.00 ATOM 251 O SER A 29 13.355 36.996 19.953 1.00 0.00 ATOM 252 C SER A 29 14.029 36.009 19.636 1.00 0.00 ATOM 253 N PHE A 30 13.857 34.818 20.110 1.00 0.00 ATOM 254 CA PHE A 30 12.902 34.583 21.182 1.00 0.00 ATOM 255 CB PHE A 30 11.763 33.791 20.632 1.00 0.00 ATOM 256 CG PHE A 30 10.584 34.707 20.382 1.00 0.00 ATOM 257 CD1 PHE A 30 10.366 35.845 21.152 1.00 0.00 ATOM 258 CD2 PHE A 30 9.858 34.480 19.242 1.00 0.00 ATOM 259 CE1 PHE A 30 9.446 36.782 20.730 1.00 0.00 ATOM 260 CE2 PHE A 30 8.912 35.418 18.843 1.00 0.00 ATOM 261 CZ PHE A 30 8.726 36.572 19.565 1.00 0.00 ATOM 262 O PHE A 30 14.386 33.060 22.286 1.00 0.00 ATOM 263 C PHE A 30 13.632 34.028 22.412 1.00 0.00 ATOM 264 N GLN A 31 13.371 34.677 23.466 1.00 0.00 ATOM 265 CA GLN A 31 13.880 34.178 24.741 1.00 0.00 ATOM 266 CB GLN A 31 14.181 35.346 25.670 1.00 0.00 ATOM 267 CG GLN A 31 15.245 36.299 25.154 1.00 0.00 ATOM 268 CD GLN A 31 15.431 37.502 26.057 1.00 0.00 ATOM 269 OE1 GLN A 31 15.755 37.364 27.236 1.00 0.00 ATOM 270 NE2 GLN A 31 15.222 38.692 25.505 1.00 0.00 ATOM 271 O GLN A 31 11.648 33.846 25.430 1.00 0.00 ATOM 272 C GLN A 31 12.789 33.439 25.504 1.00 0.00 ATOM 273 N VAL A 32 13.110 32.213 25.847 1.00 0.00 ATOM 274 CA VAL A 32 12.167 31.267 26.451 1.00 0.00 ATOM 275 CB VAL A 32 12.075 30.068 25.517 1.00 0.00 ATOM 276 CG1 VAL A 32 11.662 30.522 24.118 1.00 0.00 ATOM 277 CG2 VAL A 32 13.378 29.274 25.410 1.00 0.00 ATOM 278 O VAL A 32 13.906 30.854 28.046 1.00 0.00 ATOM 279 C VAL A 32 12.690 30.874 27.848 1.00 0.00 ATOM 280 N ASP A 33 11.795 30.449 28.715 1.00 0.00 ATOM 281 CA ASP A 33 12.188 29.977 30.055 1.00 0.00 ATOM 282 CB ASP A 33 10.955 29.770 30.937 1.00 0.00 ATOM 283 CG ASP A 33 10.294 31.059 31.404 1.00 0.00 ATOM 284 OD1 ASP A 33 10.876 32.102 31.222 1.00 0.00 ATOM 285 OD2 ASP A 33 9.152 31.010 31.794 1.00 0.00 ATOM 286 O ASP A 33 13.010 27.879 29.112 1.00 0.00 ATOM 287 C ASP A 33 12.996 28.674 30.040 1.00 0.00 ATOM 288 N GLU A 34 13.752 28.447 31.086 1.00 0.00 ATOM 289 CA GLU A 34 14.421 27.135 31.230 1.00 0.00 ATOM 290 CB GLU A 34 15.040 26.998 32.622 1.00 0.00 ATOM 291 CG GLU A 34 14.027 26.958 33.759 1.00 0.00 ATOM 292 CD GLU A 34 14.710 26.930 35.097 1.00 0.00 ATOM 293 OE1 GLU A 34 15.477 26.029 35.334 1.00 0.00 ATOM 294 OE2 GLU A 34 14.552 27.870 35.842 1.00 0.00 ATOM 295 O GLU A 34 12.355 25.895 31.423 1.00 0.00 ATOM 296 C GLU A 34 13.513 25.939 30.991 1.00 0.00 ATOM 297 N GLY A 35 14.051 24.987 30.248 1.00 0.00 ATOM 298 CA GLY A 35 13.349 23.742 29.921 1.00 0.00 ATOM 299 O GLY A 35 11.351 23.094 28.868 1.00 0.00 ATOM 300 C GLY A 35 12.262 23.929 28.894 1.00 0.00 ATOM 301 N ILE A 36 12.387 24.945 27.973 1.00 0.00 ATOM 302 CA ILE A 36 11.389 25.150 26.954 1.00 0.00 ATOM 303 CB ILE A 36 11.519 26.495 26.234 1.00 0.00 ATOM 304 CG1 ILE A 36 11.170 27.615 27.204 1.00 0.00 ATOM 305 CG2 ILE A 36 10.704 26.687 24.954 1.00 0.00 ATOM 306 CD1 ILE A 36 9.832 27.966 27.810 1.00 0.00 ATOM 307 O ILE A 36 12.645 23.733 25.474 1.00 0.00 ATOM 308 C ILE A 36 11.551 24.048 25.922 1.00 0.00 ATOM 309 N THR A 37 10.382 23.660 25.469 1.00 0.00 ATOM 310 CA THR A 37 10.247 22.682 24.379 1.00 0.00 ATOM 311 CB THR A 37 9.234 21.602 24.714 1.00 0.00 ATOM 312 CG2 THR A 37 9.646 20.879 26.011 1.00 0.00 ATOM 313 OG1 THR A 37 7.939 22.167 24.931 1.00 0.00 ATOM 314 O THR A 37 9.348 24.491 23.085 1.00 0.00 ATOM 315 C THR A 37 9.727 23.323 23.096 1.00 0.00 ATOM 316 N VAL A 38 9.677 22.568 22.021 1.00 0.00 ATOM 317 CA VAL A 38 9.179 23.080 20.755 1.00 0.00 ATOM 318 CB VAL A 38 9.206 21.925 19.763 1.00 0.00 ATOM 319 CG1 VAL A 38 8.480 22.221 18.473 1.00 0.00 ATOM 320 CG2 VAL A 38 10.663 21.728 19.438 1.00 0.00 ATOM 321 O VAL A 38 7.342 24.574 20.339 1.00 0.00 ATOM 322 C VAL A 38 7.746 23.565 20.915 1.00 0.00 ATOM 323 N GLN A 39 6.954 22.801 21.636 1.00 0.00 ATOM 324 CA GLN A 39 5.536 23.149 21.805 1.00 0.00 ATOM 325 CB GLN A 39 4.846 22.144 22.722 1.00 0.00 ATOM 326 CG GLN A 39 3.382 22.447 22.968 1.00 0.00 ATOM 327 CD GLN A 39 2.565 22.417 21.692 1.00 0.00 ATOM 328 OE1 GLN A 39 2.562 21.420 20.968 1.00 0.00 ATOM 329 NE2 GLN A 39 1.866 23.506 21.410 1.00 0.00 ATOM 330 O GLN A 39 4.559 25.348 22.049 1.00 0.00 ATOM 331 C GLN A 39 5.384 24.539 22.452 1.00 0.00 ATOM 332 N THR A 40 6.276 24.812 23.396 1.00 0.00 ATOM 333 CA THR A 40 6.268 26.109 24.096 1.00 0.00 ATOM 334 CB THR A 40 7.291 26.135 25.223 1.00 0.00 ATOM 335 CG2 THR A 40 7.280 27.475 25.929 1.00 0.00 ATOM 336 OG1 THR A 40 6.947 25.047 26.108 1.00 0.00 ATOM 337 O THR A 40 5.921 28.260 23.101 1.00 0.00 ATOM 338 C THR A 40 6.582 27.223 23.106 1.00 0.00 ATOM 339 N ALA A 41 7.599 27.022 22.260 1.00 0.00 ATOM 340 CA ALA A 41 7.992 28.012 21.264 1.00 0.00 ATOM 341 CB ALA A 41 9.079 27.476 20.370 1.00 0.00 ATOM 342 O ALA A 41 6.638 29.429 19.907 1.00 0.00 ATOM 343 C ALA A 41 6.852 28.273 20.310 1.00 0.00 ATOM 344 N ILE A 42 6.069 27.243 19.938 1.00 0.00 ATOM 345 CA ILE A 42 4.903 27.430 19.063 1.00 0.00 ATOM 346 CB ILE A 42 4.235 26.109 18.735 1.00 0.00 ATOM 347 CG1 ILE A 42 5.234 25.212 17.995 1.00 0.00 ATOM 348 CG2 ILE A 42 2.990 26.346 17.892 1.00 0.00 ATOM 349 CD1 ILE A 42 5.783 25.819 16.714 1.00 0.00 ATOM 350 O ILE A 42 3.305 29.240 19.109 1.00 0.00 ATOM 351 C ILE A 42 3.872 28.337 19.737 1.00 0.00 ATOM 352 N THR A 43 3.623 28.100 21.022 1.00 0.00 ATOM 353 CA THR A 43 2.657 28.910 21.757 1.00 0.00 ATOM 354 CB THR A 43 2.495 28.304 23.169 1.00 0.00 ATOM 355 CG2 THR A 43 1.470 29.073 24.007 1.00 0.00 ATOM 356 OG1 THR A 43 1.935 26.986 23.057 1.00 0.00 ATOM 357 O THR A 43 2.313 31.294 21.588 1.00 0.00 ATOM 358 C THR A 43 3.115 30.375 21.802 1.00 0.00 ATOM 359 N GLN A 44 4.403 30.576 22.057 1.00 0.00 ATOM 360 CA GLN A 44 4.965 31.931 22.132 1.00 0.00 ATOM 361 CB GLN A 44 6.431 31.927 22.454 1.00 0.00 ATOM 362 CG GLN A 44 6.950 33.342 22.631 1.00 0.00 ATOM 363 CD GLN A 44 6.212 34.075 23.741 1.00 0.00 ATOM 364 OE1 GLN A 44 5.956 35.278 23.646 1.00 0.00 ATOM 365 NE2 GLN A 44 5.885 33.351 24.809 1.00 0.00 ATOM 366 O GLN A 44 4.406 33.820 20.772 1.00 0.00 ATOM 367 C GLN A 44 4.765 32.648 20.803 1.00 0.00 ATOM 368 N SER A 45 5.051 31.920 19.711 1.00 0.00 ATOM 369 CA SER A 45 4.884 32.500 18.379 1.00 0.00 ATOM 370 CB SER A 45 5.471 31.585 17.330 1.00 0.00 ATOM 371 OG SER A 45 5.050 30.237 17.491 1.00 0.00 ATOM 372 O SER A 45 3.075 33.649 17.332 1.00 0.00 ATOM 373 C SER A 45 3.401 32.797 18.158 1.00 0.00 ATOM 374 N GLY A 46 2.555 32.186 18.992 1.00 0.00 ATOM 375 CA GLY A 46 1.102 32.403 18.992 1.00 0.00 ATOM 376 O GLY A 46 -0.343 34.320 19.024 1.00 0.00 ATOM 377 C GLY A 46 0.737 33.832 19.372 1.00 0.00 ATOM 378 N ILE A 47 1.641 34.547 20.056 1.00 0.00 ATOM 379 CA ILE A 47 1.429 35.928 20.485 1.00 0.00 ATOM 380 CB ILE A 47 2.504 36.377 21.535 1.00 0.00 ATOM 381 CG1 ILE A 47 2.455 35.517 22.803 1.00 0.00 ATOM 382 CG2 ILE A 47 2.361 37.876 21.804 1.00 0.00 ATOM 383 CD1 ILE A 47 1.118 35.261 23.417 1.00 0.00 ATOM 384 O ILE A 47 0.600 37.862 19.300 1.00 0.00 ATOM 385 C ILE A 47 1.466 36.968 19.341 1.00 0.00 ATOM 386 N LEU A 48 2.414 36.909 18.429 1.00 0.00 ATOM 387 CA LEU A 48 2.422 37.761 17.235 1.00 0.00 ATOM 388 CB LEU A 48 3.670 37.523 16.436 1.00 0.00 ATOM 389 CG LEU A 48 4.949 38.098 17.044 1.00 0.00 ATOM 390 CD1 LEU A 48 6.160 37.619 16.255 1.00 0.00 ATOM 391 CD2 LEU A 48 4.899 39.623 17.092 1.00 0.00 ATOM 392 O LEU A 48 1.028 36.019 16.358 1.00 0.00 ATOM 393 C LEU A 48 1.125 37.213 16.596 1.00 0.00 ATOM 394 N SER A 49 0.048 37.977 17.097 1.00 0.00 ATOM 395 CA SER A 49 -1.302 37.389 17.229 1.00 0.00 ATOM 396 CB SER A 49 -2.305 38.359 17.803 1.00 0.00 ATOM 397 OG SER A 49 -2.442 39.540 17.035 1.00 0.00 ATOM 398 O SER A 49 -2.938 36.416 15.742 1.00 0.00 ATOM 399 C SER A 49 -1.812 36.945 15.866 1.00 0.00 ATOM 400 N GLN A 50 -1.042 37.206 14.808 1.00 0.00 ATOM 401 CA GLN A 50 -1.422 36.709 13.486 1.00 0.00 ATOM 402 CB GLN A 50 -0.267 37.714 12.614 1.00 0.00 ATOM 403 CG GLN A 50 0.086 39.057 13.267 1.00 0.00 ATOM 404 CD GLN A 50 -1.116 39.993 13.371 1.00 0.00 ATOM 405 OE1 GLN A 50 -1.726 40.362 12.361 1.00 0.00 ATOM 406 NE2 GLN A 50 -1.453 40.385 14.595 1.00 0.00 ATOM 407 O GLN A 50 -1.826 34.496 12.725 1.00 0.00 ATOM 408 C GLN A 50 -1.099 35.203 13.400 1.00 0.00 ATOM 409 N PHE A 51 -0.167 34.741 14.211 1.00 0.00 ATOM 410 CA PHE A 51 0.215 33.308 14.141 1.00 0.00 ATOM 411 CB PHE A 51 1.533 33.102 14.890 1.00 0.00 ATOM 412 CG PHE A 51 2.211 31.797 14.578 1.00 0.00 ATOM 413 CD1 PHE A 51 2.831 31.599 13.354 1.00 0.00 ATOM 414 CD2 PHE A 51 2.226 30.769 15.508 1.00 0.00 ATOM 415 CE1 PHE A 51 3.453 30.397 13.067 1.00 0.00 ATOM 416 CE2 PHE A 51 2.849 29.569 15.224 1.00 0.00 ATOM 417 CZ PHE A 51 3.462 29.384 14.002 1.00 0.00 ATOM 418 O PHE A 51 -0.755 31.155 14.409 1.00 0.00 ATOM 419 C PHE A 51 -0.797 32.329 14.761 1.00 0.00 ATOM 420 N PRO A 52 -1.679 32.737 15.687 1.00 0.00 ATOM 421 CA PRO A 52 -2.667 31.865 16.316 1.00 0.00 ATOM 422 CB PRO A 52 -3.523 32.770 17.207 1.00 0.00 ATOM 423 CG PRO A 52 -2.662 33.946 17.571 1.00 0.00 ATOM 424 CD PRO A 52 -1.616 33.971 16.459 1.00 0.00 ATOM 425 O PRO A 52 -3.680 29.912 15.331 1.00 0.00 ATOM 426 C PRO A 52 -3.507 31.134 15.257 1.00 0.00 ATOM 427 N GLU A 53 -3.894 31.844 14.190 1.00 0.00 ATOM 428 CA GLU A 53 -4.698 31.230 13.132 1.00 0.00 ATOM 429 CB GLU A 53 -4.967 32.599 12.082 1.00 0.00 ATOM 430 CG GLU A 53 -5.080 33.976 12.676 1.00 0.00 ATOM 431 CD GLU A 53 -6.380 34.414 13.322 1.00 0.00 ATOM 432 OE1 GLU A 53 -7.406 33.721 13.140 1.00 0.00 ATOM 433 OE2 GLU A 53 -6.357 35.489 14.006 1.00 0.00 ATOM 434 O GLU A 53 -4.389 29.301 11.786 1.00 0.00 ATOM 435 C GLU A 53 -3.850 30.265 12.322 1.00 0.00 ATOM 436 N ILE A 54 -2.546 30.403 12.267 1.00 0.00 ATOM 437 CA ILE A 54 -1.702 29.528 11.453 1.00 0.00 ATOM 438 CB ILE A 54 -0.280 30.104 11.312 1.00 0.00 ATOM 439 CG1 ILE A 54 -0.352 31.446 10.582 1.00 0.00 ATOM 440 CG2 ILE A 54 0.621 29.137 10.552 1.00 0.00 ATOM 441 CD1 ILE A 54 0.977 32.088 10.346 1.00 0.00 ATOM 442 O ILE A 54 -1.326 28.024 13.315 1.00 0.00 ATOM 443 C ILE A 54 -1.581 28.144 12.111 1.00 0.00 ATOM 444 N ASP A 55 -1.634 27.113 11.281 1.00 0.00 ATOM 445 CA ASP A 55 -1.492 25.728 11.769 1.00 0.00 ATOM 446 CB ASP A 55 -2.308 24.823 10.879 1.00 0.00 ATOM 447 CG ASP A 55 -2.351 23.411 11.375 1.00 0.00 ATOM 448 OD1 ASP A 55 -1.377 22.916 12.017 1.00 0.00 ATOM 449 OD2 ASP A 55 -3.352 22.725 11.115 1.00 0.00 ATOM 450 O ASP A 55 0.473 25.010 10.595 1.00 0.00 ATOM 451 C ASP A 55 -0.055 25.230 11.687 1.00 0.00 ATOM 452 N LEU A 56 0.607 25.019 12.860 1.00 0.00 ATOM 453 CA LEU A 56 1.989 24.570 12.923 1.00 0.00 ATOM 454 CB LEU A 56 2.391 24.332 14.382 1.00 0.00 ATOM 455 CG LEU A 56 3.773 23.666 14.473 1.00 0.00 ATOM 456 CD1 LEU A 56 4.812 24.613 13.892 1.00 0.00 ATOM 457 CD2 LEU A 56 4.053 23.017 15.809 1.00 0.00 ATOM 458 O LEU A 56 3.193 23.087 11.470 1.00 0.00 ATOM 459 C LEU A 56 2.194 23.252 12.176 1.00 0.00 ATOM 460 N SER A 57 1.274 22.304 12.341 1.00 0.00 ATOM 461 CA SER A 57 1.405 21.020 11.661 1.00 0.00 ATOM 462 CB SER A 57 0.348 20.041 12.088 1.00 0.00 ATOM 463 OG SER A 57 0.476 19.738 13.463 1.00 0.00 ATOM 464 O SER A 57 2.182 20.878 9.399 1.00 0.00 ATOM 465 C SER A 57 1.325 21.308 10.157 1.00 0.00 ATOM 466 N THR A 58 0.390 22.172 9.717 1.00 0.00 ATOM 467 CA THR A 58 0.275 22.532 8.307 1.00 0.00 ATOM 468 CB THR A 58 -0.964 23.244 8.049 1.00 0.00 ATOM 469 CG2 THR A 58 -0.979 23.771 6.645 1.00 0.00 ATOM 470 OG1 THR A 58 -2.041 22.280 8.086 1.00 0.00 ATOM 471 O THR A 58 1.932 23.463 6.830 1.00 0.00 ATOM 472 C THR A 58 1.444 23.452 7.960 1.00 0.00 ATOM 473 N ASN A 59 1.940 24.177 8.959 1.00 0.00 ATOM 474 CA ASN A 59 3.035 25.106 8.740 1.00 0.00 ATOM 475 CB ASN A 59 2.899 26.365 9.578 1.00 0.00 ATOM 476 CG ASN A 59 4.247 27.032 9.766 1.00 0.00 ATOM 477 ND2 ASN A 59 4.314 28.294 9.394 1.00 0.00 ATOM 478 OD1 ASN A 59 5.220 26.435 10.224 1.00 0.00 ATOM 479 O ASN A 59 4.961 24.366 7.516 1.00 0.00 ATOM 480 C ASN A 59 4.347 24.344 8.582 1.00 0.00 ATOM 481 N LYS A 60 4.778 23.666 9.616 1.00 0.00 ATOM 482 CA LYS A 60 6.027 22.910 9.601 1.00 0.00 ATOM 483 CB LYS A 60 6.833 22.152 8.559 1.00 0.00 ATOM 484 CG LYS A 60 6.011 21.300 7.594 1.00 0.00 ATOM 485 CD LYS A 60 5.235 20.228 8.314 1.00 0.00 ATOM 486 CE LYS A 60 4.544 19.299 7.311 1.00 0.00 ATOM 487 NZ LYS A 60 3.676 18.341 8.014 1.00 0.00 ATOM 488 O LYS A 60 7.314 24.958 9.981 1.00 0.00 ATOM 489 C LYS A 60 7.156 23.734 10.240 1.00 0.00 ATOM 490 N ILE A 61 7.860 23.070 11.139 1.00 0.00 ATOM 491 CA ILE A 61 9.086 23.616 11.715 1.00 0.00 ATOM 492 CB ILE A 61 8.911 23.994 13.181 1.00 0.00 ATOM 493 CG1 ILE A 61 8.462 22.781 13.986 1.00 0.00 ATOM 494 CG2 ILE A 61 8.024 25.232 13.282 1.00 0.00 ATOM 495 CD1 ILE A 61 8.546 23.083 15.458 1.00 0.00 ATOM 496 O ILE A 61 10.099 21.466 11.788 1.00 0.00 ATOM 497 C ILE A 61 10.277 22.674 11.649 1.00 0.00 ATOM 498 N GLY A 62 11.447 23.279 11.629 1.00 0.00 ATOM 499 CA GLY A 62 12.716 22.550 11.734 1.00 0.00 ATOM 500 O GLY A 62 13.922 24.407 12.566 1.00 0.00 ATOM 501 C GLY A 62 13.630 23.225 12.740 1.00 0.00 ATOM 502 N ILE A 63 14.313 22.400 13.519 1.00 0.00 ATOM 503 CA ILE A 63 15.321 22.884 14.472 1.00 0.00 ATOM 504 CB ILE A 63 14.949 22.423 15.896 1.00 0.00 ATOM 505 CG1 ILE A 63 13.539 22.902 16.232 1.00 0.00 ATOM 506 CG2 ILE A 63 15.989 22.901 16.903 1.00 0.00 ATOM 507 CD1 ILE A 63 13.347 24.399 16.151 1.00 0.00 ATOM 508 O ILE A 63 16.875 21.085 13.929 1.00 0.00 ATOM 509 C ILE A 63 16.673 22.303 14.046 1.00 0.00 ATOM 510 N PHE A 64 17.559 23.394 13.594 1.00 0.00 ATOM 511 CA PHE A 64 18.858 23.097 13.011 1.00 0.00 ATOM 512 CB PHE A 64 19.913 23.930 13.871 1.00 0.00 ATOM 513 CG PHE A 64 21.285 23.757 13.378 1.00 0.00 ATOM 514 CD1 PHE A 64 21.732 24.519 12.315 1.00 0.00 ATOM 515 CD2 PHE A 64 22.096 22.743 13.876 1.00 0.00 ATOM 516 CE1 PHE A 64 22.998 24.337 11.791 1.00 0.00 ATOM 517 CE2 PHE A 64 23.358 22.544 13.354 1.00 0.00 ATOM 518 CZ PHE A 64 23.817 23.359 12.301 1.00 0.00 ATOM 519 O PHE A 64 19.855 21.214 11.805 1.00 0.00 ATOM 520 C PHE A 64 18.972 22.077 11.859 1.00 0.00 ATOM 521 N SER A 65 17.821 22.566 11.094 1.00 0.00 ATOM 522 CA SER A 65 17.669 21.789 9.842 1.00 0.00 ATOM 523 CB SER A 65 18.962 21.608 9.033 1.00 0.00 ATOM 524 OG SER A 65 19.614 22.853 8.862 1.00 0.00 ATOM 525 O SER A 65 17.199 19.601 9.076 1.00 0.00 ATOM 526 C SER A 65 16.947 20.438 9.933 1.00 0.00 ATOM 527 N ARG A 66 16.415 20.140 11.109 1.00 0.00 ATOM 528 CA ARG A 66 15.816 18.840 11.448 1.00 0.00 ATOM 529 CB ARG A 66 16.538 18.162 12.606 1.00 0.00 ATOM 530 CG ARG A 66 17.976 17.765 12.316 1.00 0.00 ATOM 531 CD ARG A 66 18.683 17.143 13.465 1.00 0.00 ATOM 532 NE ARG A 66 18.927 18.042 14.581 1.00 0.00 ATOM 533 CZ ARG A 66 19.427 17.663 15.774 1.00 0.00 ATOM 534 NH1 ARG A 66 19.702 16.404 16.022 1.00 0.00 ATOM 535 NH2 ARG A 66 19.613 18.592 16.696 1.00 0.00 ATOM 536 O ARG A 66 13.896 19.634 12.662 1.00 0.00 ATOM 537 C ARG A 66 14.378 18.786 11.951 1.00 0.00 ATOM 538 N PRO A 67 13.609 17.850 11.471 1.00 0.00 ATOM 539 CA PRO A 67 12.239 17.670 11.957 1.00 0.00 ATOM 540 CB PRO A 67 11.680 16.520 11.129 1.00 0.00 ATOM 541 CG PRO A 67 12.442 16.619 9.819 1.00 0.00 ATOM 542 CD PRO A 67 13.879 17.018 10.282 1.00 0.00 ATOM 543 O PRO A 67 13.034 15.966 13.474 1.00 0.00 ATOM 544 C PRO A 67 12.340 16.973 13.306 1.00 0.00 ATOM 545 N ILE A 68 11.611 17.527 14.245 1.00 0.00 ATOM 546 CA ILE A 68 11.648 17.022 15.628 1.00 0.00 ATOM 547 CB ILE A 68 12.514 17.949 16.525 1.00 0.00 ATOM 548 CG1 ILE A 68 11.854 19.325 16.635 1.00 0.00 ATOM 549 CG2 ILE A 68 13.922 18.072 15.965 1.00 0.00 ATOM 550 CD1 ILE A 68 12.561 20.262 17.594 1.00 0.00 ATOM 551 O ILE A 68 9.238 17.314 15.621 1.00 0.00 ATOM 552 C ILE A 68 10.232 16.875 16.194 1.00 0.00 ATOM 553 N LYS A 69 10.125 16.240 17.440 1.00 0.00 ATOM 554 CA LYS A 69 8.881 16.263 18.183 1.00 0.00 ATOM 555 CB LYS A 69 8.940 15.264 19.354 1.00 0.00 ATOM 556 CG LYS A 69 8.906 13.795 18.946 1.00 0.00 ATOM 557 CD LYS A 69 10.305 13.223 18.699 1.00 0.00 ATOM 558 CE LYS A 69 10.247 11.787 18.159 1.00 0.00 ATOM 559 NZ LYS A 69 9.588 11.711 16.820 1.00 0.00 ATOM 560 O LYS A 69 9.455 18.374 19.204 1.00 0.00 ATOM 561 C LYS A 69 8.575 17.554 18.943 1.00 0.00 ATOM 562 N LEU A 70 7.295 17.723 19.279 1.00 0.00 ATOM 563 CA LEU A 70 6.831 18.935 20.013 1.00 0.00 ATOM 564 CB LEU A 70 5.302 18.932 20.120 1.00 0.00 ATOM 565 CG LEU A 70 4.551 19.092 18.791 1.00 0.00 ATOM 566 CD1 LEU A 70 3.055 18.934 19.014 1.00 0.00 ATOM 567 CD2 LEU A 70 4.869 20.453 18.190 1.00 0.00 ATOM 568 O LEU A 70 7.664 20.121 21.931 1.00 0.00 ATOM 569 C LEU A 70 7.479 19.038 21.391 1.00 0.00 ATOM 570 N THR A 71 7.850 17.890 21.929 1.00 0.00 ATOM 571 CA THR A 71 8.491 17.850 23.254 1.00 0.00 ATOM 572 CB THR A 71 7.964 16.571 23.971 1.00 0.00 ATOM 573 CG2 THR A 71 6.487 16.647 24.336 1.00 0.00 ATOM 574 OG1 THR A 71 8.104 15.471 23.053 1.00 0.00 ATOM 575 O THR A 71 10.644 17.750 24.253 1.00 0.00 ATOM 576 C THR A 71 10.015 17.947 23.211 1.00 0.00 ATOM 577 N ASP A 72 10.579 18.149 22.032 1.00 0.00 ATOM 578 CA ASP A 72 12.035 18.294 21.906 1.00 0.00 ATOM 579 CB ASP A 72 12.448 18.335 20.432 1.00 0.00 ATOM 580 CG ASP A 72 13.952 18.294 20.197 1.00 0.00 ATOM 581 OD1 ASP A 72 14.632 19.163 20.684 1.00 0.00 ATOM 582 OD2 ASP A 72 14.422 17.316 19.669 1.00 0.00 ATOM 583 O ASP A 72 11.937 20.666 22.373 1.00 0.00 ATOM 584 C ASP A 72 12.485 19.586 22.609 1.00 0.00 ATOM 585 N VAL A 73 13.357 19.375 23.579 1.00 0.00 ATOM 586 CA VAL A 73 13.937 20.482 24.361 1.00 0.00 ATOM 587 CB VAL A 73 14.743 19.959 25.564 1.00 0.00 ATOM 588 CG1 VAL A 73 15.406 21.112 26.303 1.00 0.00 ATOM 589 CG2 VAL A 73 13.845 19.171 26.508 1.00 0.00 ATOM 590 O VAL A 73 15.741 20.932 22.862 1.00 0.00 ATOM 591 C VAL A 73 14.835 21.389 23.559 1.00 0.00 ATOM 592 N LEU A 74 14.580 22.721 23.642 1.00 0.00 ATOM 593 CA LEU A 74 15.329 23.695 22.891 1.00 0.00 ATOM 594 CB LEU A 74 14.475 24.957 22.703 1.00 0.00 ATOM 595 CG LEU A 74 13.242 24.783 21.809 1.00 0.00 ATOM 596 CD1 LEU A 74 12.430 26.071 21.784 1.00 0.00 ATOM 597 CD2 LEU A 74 13.684 24.398 20.404 1.00 0.00 ATOM 598 O LEU A 74 16.624 24.146 24.864 1.00 0.00 ATOM 599 C LEU A 74 16.597 24.081 23.631 1.00 0.00 ATOM 600 N LYS A 75 17.675 24.324 22.888 1.00 0.00 ATOM 601 CA LYS A 75 18.960 24.708 23.454 1.00 0.00 ATOM 602 CB LYS A 75 20.083 23.839 22.900 1.00 0.00 ATOM 603 CG LYS A 75 20.193 22.495 23.613 1.00 0.00 ATOM 604 CD LYS A 75 19.649 21.350 22.778 1.00 0.00 ATOM 605 CE LYS A 75 19.899 20.007 23.455 1.00 0.00 ATOM 606 NZ LYS A 75 21.325 19.578 23.386 1.00 0.00 ATOM 607 O LYS A 75 18.685 26.685 22.089 1.00 0.00 ATOM 608 C LYS A 75 19.290 26.126 23.002 1.00 0.00 ATOM 609 N GLU A 76 20.009 26.826 23.883 1.00 0.00 ATOM 610 CA GLU A 76 20.422 28.198 23.567 1.00 0.00 ATOM 611 CB GLU A 76 21.270 28.779 24.699 1.00 0.00 ATOM 612 CG GLU A 76 21.649 30.240 24.518 1.00 0.00 ATOM 613 CD GLU A 76 22.436 30.753 25.692 1.00 0.00 ATOM 614 OE1 GLU A 76 22.638 30.005 26.618 1.00 0.00 ATOM 615 OE2 GLU A 76 22.934 31.853 25.613 1.00 0.00 ATOM 616 O GLU A 76 22.029 27.432 21.956 1.00 0.00 ATOM 617 C GLU A 76 21.137 28.236 22.222 1.00 0.00 ATOM 618 N GLY A 77 20.682 29.145 21.354 1.00 0.00 ATOM 619 CA GLY A 77 21.286 29.368 20.055 1.00 0.00 ATOM 620 O GLY A 77 21.187 28.522 17.836 1.00 0.00 ATOM 621 C GLY A 77 20.687 28.474 18.963 1.00 0.00 ATOM 622 N ASP A 78 19.646 27.694 19.267 1.00 0.00 ATOM 623 CA ASP A 78 18.990 26.859 18.240 1.00 0.00 ATOM 624 CB ASP A 78 18.006 25.883 18.887 1.00 0.00 ATOM 625 CG ASP A 78 18.648 24.617 19.441 1.00 0.00 ATOM 626 OD1 ASP A 78 19.844 24.487 19.335 1.00 0.00 ATOM 627 OD2 ASP A 78 17.964 23.866 20.095 1.00 0.00 ATOM 628 O ASP A 78 17.610 28.716 17.580 1.00 0.00 ATOM 629 C ASP A 78 18.267 27.727 17.220 1.00 0.00 ATOM 630 N ARG A 79 18.380 27.336 15.959 1.00 0.00 ATOM 631 CA ARG A 79 17.691 28.040 14.875 1.00 0.00 ATOM 632 CB ARG A 79 18.491 28.109 13.581 1.00 0.00 ATOM 633 CG ARG A 79 17.695 28.867 12.503 1.00 0.00 ATOM 634 CD ARG A 79 18.434 28.989 11.183 1.00 0.00 ATOM 635 NE ARG A 79 19.609 29.854 11.273 1.00 0.00 ATOM 636 CZ ARG A 79 19.601 31.171 11.087 1.00 0.00 ATOM 637 NH1 ARG A 79 20.732 31.858 11.191 1.00 0.00 ATOM 638 NH2 ARG A 79 18.471 31.802 10.790 1.00 0.00 ATOM 639 O ARG A 79 16.532 26.062 14.174 1.00 0.00 ATOM 640 C ARG A 79 16.445 27.234 14.492 1.00 0.00 ATOM 641 N ILE A 80 15.294 27.900 14.543 1.00 0.00 ATOM 642 CA ILE A 80 14.008 27.258 14.238 1.00 0.00 ATOM 643 CB ILE A 80 13.031 27.351 15.425 1.00 0.00 ATOM 644 CG1 ILE A 80 11.668 26.768 15.042 1.00 0.00 ATOM 645 CG2 ILE A 80 12.889 28.795 15.884 1.00 0.00 ATOM 646 CD1 ILE A 80 10.712 26.634 16.206 1.00 0.00 ATOM 647 O ILE A 80 13.157 29.110 12.976 1.00 0.00 ATOM 648 C ILE A 80 13.418 27.905 12.994 1.00 0.00 ATOM 649 N GLU A 81 13.136 27.077 12.008 1.00 0.00 ATOM 650 CA GLU A 81 12.487 27.530 10.772 1.00 0.00 ATOM 651 CB GLU A 81 13.075 26.829 9.546 1.00 0.00 ATOM 652 CG GLU A 81 14.531 27.177 9.259 1.00 0.00 ATOM 653 CD GLU A 81 15.039 26.450 8.047 1.00 0.00 ATOM 654 OE1 GLU A 81 14.295 25.685 7.482 1.00 0.00 ATOM 655 OE2 GLU A 81 16.131 26.738 7.621 1.00 0.00 ATOM 656 O GLU A 81 10.570 26.120 11.051 1.00 0.00 ATOM 657 C GLU A 81 10.984 27.259 10.834 1.00 0.00 ATOM 658 N ILE A 82 10.225 28.274 10.459 1.00 0.00 ATOM 659 CA ILE A 82 8.754 28.189 10.407 1.00 0.00 ATOM 660 CB ILE A 82 8.140 29.213 11.388 1.00 0.00 ATOM 661 CG1 ILE A 82 8.627 28.919 12.812 1.00 0.00 ATOM 662 CG2 ILE A 82 6.606 29.146 11.349 1.00 0.00 ATOM 663 CD1 ILE A 82 8.097 29.909 13.847 1.00 0.00 ATOM 664 O ILE A 82 8.416 29.498 8.425 1.00 0.00 ATOM 665 C ILE A 82 8.401 28.376 8.936 1.00 0.00 ATOM 666 N TYR A 83 7.945 27.282 8.309 1.00 0.00 ATOM 667 CA TYR A 83 7.604 27.351 6.895 1.00 0.00 ATOM 668 CB TYR A 83 8.870 26.917 6.170 1.00 0.00 ATOM 669 CG TYR A 83 9.440 25.570 6.622 1.00 0.00 ATOM 670 CD1 TYR A 83 8.978 24.376 6.103 1.00 0.00 ATOM 671 CD2 TYR A 83 10.461 25.536 7.552 1.00 0.00 ATOM 672 CE1 TYR A 83 9.526 23.172 6.513 1.00 0.00 ATOM 673 CE2 TYR A 83 11.030 24.341 7.940 1.00 0.00 ATOM 674 CZ TYR A 83 10.566 23.140 7.412 1.00 0.00 ATOM 675 OH TYR A 83 11.129 21.957 7.770 1.00 0.00 ATOM 676 O TYR A 83 6.265 25.386 6.961 1.00 0.00 ATOM 677 C TYR A 83 6.504 26.448 6.376 1.00 0.00 ATOM 678 N ARG A 84 5.907 26.812 5.281 1.00 0.00 ATOM 679 CA ARG A 84 4.908 25.946 4.664 1.00 0.00 ATOM 680 CB ARG A 84 4.466 26.516 3.364 1.00 0.00 ATOM 681 CG ARG A 84 4.071 27.980 3.491 1.00 0.00 ATOM 682 CD ARG A 84 2.696 28.190 4.127 1.00 0.00 ATOM 683 NE ARG A 84 2.398 29.625 4.422 1.00 0.00 ATOM 684 CZ ARG A 84 1.326 30.132 5.054 1.00 0.00 ATOM 685 NH1 ARG A 84 0.371 29.305 5.482 1.00 0.00 ATOM 686 NH2 ARG A 84 1.186 31.450 5.276 1.00 0.00 ATOM 687 O ARG A 84 6.834 24.703 3.965 1.00 0.00 ATOM 688 C ARG A 84 5.659 24.670 4.305 1.00 0.00 ATOM 689 N PRO A 85 4.991 23.449 4.385 1.00 0.00 ATOM 690 CA PRO A 85 5.688 22.204 4.065 1.00 0.00 ATOM 691 CB PRO A 85 4.570 21.156 4.209 1.00 0.00 ATOM 692 CG PRO A 85 3.343 21.913 3.808 1.00 0.00 ATOM 693 CD PRO A 85 3.536 23.245 4.501 1.00 0.00 ATOM 694 O PRO A 85 7.392 21.555 2.534 1.00 0.00 ATOM 695 C PRO A 85 6.341 22.158 2.684 1.00 0.00 ATOM 696 N LEU A 86 5.747 22.848 1.716 1.00 0.00 ATOM 697 CA LEU A 86 6.279 22.887 0.341 1.00 0.00 ATOM 698 CB LEU A 86 5.298 23.613 -0.588 1.00 0.00 ATOM 699 CG LEU A 86 3.978 22.876 -0.845 1.00 0.00 ATOM 700 CD1 LEU A 86 3.028 23.765 -1.635 1.00 0.00 ATOM 701 CD2 LEU A 86 4.255 21.582 -1.596 1.00 0.00 ATOM 702 O LEU A 86 8.481 23.200 -0.592 1.00 0.00 ATOM 703 C LEU A 86 7.651 23.568 0.228 1.00 0.00 ATOM 704 N LEU A 87 7.903 24.534 1.102 1.00 0.00 ATOM 705 CA LEU A 87 9.203 25.232 1.138 1.00 0.00 ATOM 706 CB LEU A 87 9.035 26.641 1.719 1.00 0.00 ATOM 707 CG LEU A 87 8.025 27.535 0.988 1.00 0.00 ATOM 708 CD1 LEU A 87 8.030 28.931 1.592 1.00 0.00 ATOM 709 CD2 LEU A 87 8.369 27.586 -0.493 1.00 0.00 ATOM 710 O LEU A 87 11.426 24.809 1.923 1.00 0.00 ATOM 711 C LEU A 87 10.252 24.450 1.920 1.00 0.00 ATOM 712 N ALA A 88 9.827 23.374 2.634 1.00 0.00 ATOM 713 CA ALA A 88 10.730 22.559 3.440 1.00 0.00 ATOM 714 CB ALA A 88 10.066 21.326 3.958 1.00 0.00 ATOM 715 O ALA A 88 12.985 21.798 3.082 1.00 0.00 ATOM 716 C ALA A 88 11.874 21.983 2.603 1.00 0.00 ATOM 717 N ASP A 89 11.534 21.580 1.382 1.00 0.00 ATOM 718 CA ASP A 89 12.555 21.124 0.439 1.00 0.00 ATOM 719 CB ASP A 89 11.910 20.683 -0.879 1.00 0.00 ATOM 720 CG ASP A 89 12.875 20.043 -1.866 1.00 0.00 ATOM 721 OD1 ASP A 89 14.050 20.016 -1.588 1.00 0.00 ATOM 722 OD2 ASP A 89 12.416 19.449 -2.814 1.00 0.00 ATOM 723 O ASP A 89 13.089 23.431 0.121 1.00 0.00 ATOM 724 C ASP A 89 13.546 22.285 0.259 1.00 0.00 ATOM 725 N PRO A 90 14.860 22.057 0.500 1.00 0.00 ATOM 726 CA PRO A 90 15.822 23.153 0.392 1.00 0.00 ATOM 727 CB PRO A 90 17.170 22.442 0.632 1.00 0.00 ATOM 728 CG PRO A 90 16.793 21.304 1.580 1.00 0.00 ATOM 729 CD PRO A 90 15.488 20.809 1.010 1.00 0.00 ATOM 730 O PRO A 90 15.760 25.138 -0.901 1.00 0.00 ATOM 731 C PRO A 90 15.730 23.899 -0.911 1.00 0.00 ATOM 732 N LYS A 91 15.640 23.196 -2.020 1.00 0.00 ATOM 733 CA LYS A 91 15.555 23.867 -3.342 1.00 0.00 ATOM 734 CB LYS A 91 15.494 22.831 -4.464 1.00 0.00 ATOM 735 CG LYS A 91 15.480 23.423 -5.866 1.00 0.00 ATOM 736 CD LYS A 91 15.500 22.332 -6.929 1.00 0.00 ATOM 737 CE LYS A 91 15.450 22.921 -8.331 1.00 0.00 ATOM 738 NZ LYS A 91 15.442 21.864 -9.378 1.00 0.00 ATOM 739 O LYS A 91 14.453 25.944 -3.813 1.00 0.00 ATOM 740 C LYS A 91 14.336 24.788 -3.395 1.00 0.00 ATOM 741 N GLU A 92 13.174 24.287 -2.966 1.00 0.00 ATOM 742 CA GLU A 92 11.956 25.103 -2.974 1.00 0.00 ATOM 743 CB GLU A 92 10.761 24.218 -2.612 1.00 0.00 ATOM 744 CG GLU A 92 10.372 23.216 -3.687 1.00 0.00 ATOM 745 CD GLU A 92 10.028 23.903 -4.979 1.00 0.00 ATOM 746 OE1 GLU A 92 9.216 24.795 -4.956 1.00 0.00 ATOM 747 OE2 GLU A 92 10.660 23.615 -5.967 1.00 0.00 ATOM 748 O GLU A 92 11.662 27.399 -2.332 1.00 0.00 ATOM 749 C GLU A 92 12.070 26.284 -2.011 1.00 0.00 ATOM 750 N ILE A 93 12.684 26.071 -0.852 1.00 0.00 ATOM 751 CA ILE A 93 12.830 27.147 0.123 1.00 0.00 ATOM 752 CB ILE A 93 13.439 26.739 1.488 1.00 0.00 ATOM 753 CG1 ILE A 93 13.141 27.857 2.485 1.00 0.00 ATOM 754 CG2 ILE A 93 14.945 26.434 1.490 1.00 0.00 ATOM 755 CD1 ILE A 93 13.523 27.546 3.940 1.00 0.00 ATOM 756 O ILE A 93 13.397 29.447 -0.254 1.00 0.00 ATOM 757 C ILE A 93 13.720 28.268 -0.410 1.00 0.00 ATOM 758 N ARG A 94 14.832 27.921 -1.048 1.00 0.00 ATOM 759 CA ARG A 94 15.725 28.927 -1.614 1.00 0.00 ATOM 760 CB ARG A 94 16.918 28.341 -2.262 1.00 0.00 ATOM 761 CG ARG A 94 17.973 27.997 -1.226 1.00 0.00 ATOM 762 CD ARG A 94 19.043 27.067 -1.754 1.00 0.00 ATOM 763 NE ARG A 94 20.103 26.896 -0.763 1.00 0.00 ATOM 764 CZ ARG A 94 20.973 25.892 -0.757 1.00 0.00 ATOM 765 NH1 ARG A 94 20.918 24.947 -1.693 1.00 0.00 ATOM 766 NH2 ARG A 94 21.899 25.834 0.189 1.00 0.00 ATOM 767 O ARG A 94 15.037 30.987 -2.645 1.00 0.00 ATOM 768 C ARG A 94 14.993 29.764 -2.672 1.00 0.00 ATOM 769 N ARG A 95 14.164 29.076 -3.462 1.00 0.00 ATOM 770 CA ARG A 95 13.405 29.729 -4.529 1.00 0.00 ATOM 771 CB ARG A 95 12.765 28.673 -5.452 1.00 0.00 ATOM 772 CG ARG A 95 13.739 27.844 -6.294 1.00 0.00 ATOM 773 CD ARG A 95 14.816 28.726 -6.916 1.00 0.00 ATOM 774 NE ARG A 95 14.258 29.953 -7.472 1.00 0.00 ATOM 775 CZ ARG A 95 14.935 31.089 -7.596 1.00 0.00 ATOM 776 NH1 ARG A 95 16.205 31.154 -7.208 1.00 0.00 ATOM 777 NH2 ARG A 95 14.340 32.167 -8.088 1.00 0.00 ATOM 778 O ARG A 95 12.109 31.746 -4.509 1.00 0.00 ATOM 779 C ARG A 95 12.338 30.664 -3.974 1.00 0.00 ATOM 780 N GLU A 96 11.670 30.186 -2.910 1.00 0.00 ATOM 781 CA GLU A 96 10.515 30.909 -2.415 1.00 0.00 ATOM 782 CB GLU A 96 9.284 29.936 -2.383 1.00 0.00 ATOM 783 CG GLU A 96 8.780 29.474 -3.752 1.00 0.00 ATOM 784 CD GLU A 96 8.363 30.621 -4.659 1.00 0.00 ATOM 785 OE1 GLU A 96 8.093 31.730 -4.150 1.00 0.00 ATOM 786 OE2 GLU A 96 8.287 30.407 -5.891 1.00 0.00 ATOM 787 O GLU A 96 10.043 32.596 -0.783 1.00 0.00 ATOM 788 C GLU A 96 10.901 31.880 -1.304 1.00 0.00 ATOM 789 N GLY A 97 12.201 31.931 -0.959 1.00 0.00 ATOM 790 CA GLY A 97 12.649 32.841 0.083 1.00 0.00 ATOM 791 O GLY A 97 12.283 33.187 2.403 1.00 0.00 ATOM 792 C GLY A 97 12.344 32.338 1.478 1.00 0.00 ENDMDL EXPDTA 2hj1A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hj1A ATOM 1 N ASN 11 16.628 30.914 34.390 1.00 0.00 ATOM 2 CA ASN 11 17.796 30.291 33.681 1.00 0.00 ATOM 3 CB ASN 11 18.133 28.933 34.306 1.00 0.00 ATOM 4 CG ASN 11 19.527 28.435 33.914 1.00 0.00 ATOM 5 ND2 ASN 11 19.955 28.760 32.689 1.00 0.00 ATOM 6 OD1 ASN 11 20.216 27.779 34.712 1.00 0.00 ATOM 7 O ASN 11 16.704 29.247 31.806 1.00 0.00 ATOM 8 C ASN 11 17.490 30.122 32.180 1.00 0.00 ATOM 9 N GLN 12 18.117 30.953 31.343 1.00 0.00 ATOM 10 CA GLN 12 17.563 31.282 30.028 1.00 0.00 ATOM 11 CB GLN 12 17.434 32.800 29.885 1.00 0.00 ATOM 12 CG GLN 12 16.597 33.460 30.960 1.00 0.00 ATOM 13 CD GLN 12 15.106 33.328 30.718 1.00 0.00 ATOM 14 OE1 GLN 12 14.513 34.142 30.006 1.00 0.00 ATOM 15 NE2 GLN 12 14.489 32.310 31.316 1.00 0.00 ATOM 16 O GLN 12 19.573 30.483 29.019 1.00 0.00 ATOM 17 C GLN 12 18.386 30.757 28.862 1.00 0.00 ATOM 18 N ILE 13 17.752 30.607 27.695 1.00 0.00 ATOM 19 CA ILE 13 18.491 30.297 26.453 1.00 0.00 ATOM 20 CB ILE 13 18.360 28.814 26.005 1.00 0.00 ATOM 21 CG1 ILE 13 16.870 28.404 25.884 1.00 0.00 ATOM 22 CG2 ILE 13 19.184 27.892 26.920 1.00 0.00 ATOM 23 CD1 ILE 13 16.605 27.157 25.045 1.00 0.00 ATOM 24 O ILE 13 16.963 31.755 25.374 1.00 0.00 ATOM 25 C ILE 13 18.060 31.231 25.341 1.00 0.00 ATOM 26 N ASN 14 18.940 31.447 24.370 1.00 0.00 ATOM 27 CA ASN 14 18.618 32.295 23.220 1.00 0.00 ATOM 28 CB ASN 14 19.829 33.127 22.777 1.00 0.00 ATOM 29 CG ASN 14 20.355 34.048 23.874 1.00 0.00 ATOM 30 ND2 ASN 14 21.474 33.661 24.467 1.00 0.00 ATOM 31 OD1 ASN 14 19.768 35.095 24.170 1.00 0.00 ATOM 32 O ASN 14 18.901 30.469 21.681 1.00 0.00 ATOM 33 C ASN 14 18.182 31.400 22.049 1.00 0.00 ATOM 34 N ILE 15 17.014 31.698 21.476 1.00 0.00 ATOM 35 CA ILE 15 16.495 30.937 20.343 1.00 0.00 ATOM 36 CB ILE 15 15.336 29.956 20.746 1.00 0.00 ATOM 37 CG1 ILE 15 14.137 30.730 21.330 1.00 0.00 ATOM 38 CG2 ILE 15 15.864 28.866 21.650 1.00 0.00 ATOM 39 CD1 ILE 15 12.831 29.953 21.396 1.00 0.00 ATOM 40 O ILE 15 15.762 33.063 19.572 1.00 0.00 ATOM 41 C ILE 15 15.966 31.869 19.315 1.00 0.00 ATOM 42 N GLU 16 15.681 31.321 18.149 1.00 0.00 ATOM 43 CA GLU 16 15.061 32.101 17.100 1.00 0.00 ATOM 44 CB GLU 16 16.053 32.366 15.972 1.00 0.00 ATOM 45 CG GLU 16 17.221 33.282 16.398 1.00 0.00 ATOM 46 CD GLU 16 18.193 33.526 15.255 1.00 0.00 ATOM 47 OE1 GLU 16 18.658 32.522 14.660 1.00 0.00 ATOM 48 OE2 GLU 16 18.454 34.719 14.935 1.00 0.00 ATOM 49 O GLU 16 13.842 30.134 16.669 1.00 0.00 ATOM 50 C GLU 16 13.885 31.348 16.561 1.00 0.00 ATOM 51 N ILE 17 12.961 32.073 15.959 1.00 0.00 ATOM 52 CA ILE 17 11.882 31.468 15.205 1.00 0.00 ATOM 53 CB ILE 17 10.504 31.556 15.940 1.00 0.00 ATOM 54 CG1 ILE 17 10.604 30.976 17.343 1.00 0.00 ATOM 55 CG2 ILE 17 9.425 30.786 15.154 1.00 0.00 ATOM 56 CD1 ILE 17 9.197 30.881 18.085 1.00 0.00 ATOM 57 O ILE 17 11.697 33.489 13.959 1.00 0.00 ATOM 58 C ILE 17 11.761 32.241 13.924 1.00 0.00 ATOM 59 N ALA 18 11.681 31.506 12.807 1.00 0.00 ATOM 60 CA ALA 18 11.527 32.098 11.470 1.00 0.00 ATOM 61 CB ALA 18 12.730 31.769 10.626 1.00 0.00 ATOM 62 O ALA 18 9.902 30.431 11.015 1.00 0.00 ATOM 63 C ALA 18 10.291 31.570 10.801 1.00 0.00 ATOM 64 N TYR 19 9.643 32.409 10.013 1.00 0.00 ATOM 65 CA TYR 19 8.555 31.947 9.208 1.00 0.00 ATOM 66 CB TYR 19 7.215 32.467 9.755 1.00 0.00 ATOM 67 CG TYR 19 6.025 32.227 8.874 1.00 0.00 ATOM 68 CD1 TYR 19 5.798 30.987 8.276 1.00 0.00 ATOM 69 CD2 TYR 19 5.087 33.235 8.686 1.00 0.00 ATOM 70 CE1 TYR 19 4.711 30.772 7.491 1.00 0.00 ATOM 71 CE2 TYR 19 3.993 33.027 7.917 1.00 0.00 ATOM 72 CZ TYR 19 3.808 31.834 7.323 1.00 0.00 ATOM 73 OH TYR 19 2.704 31.710 6.551 1.00 0.00 ATOM 74 O TYR 19 8.935 33.722 7.632 1.00 0.00 ATOM 75 C TYR 19 8.849 32.492 7.829 1.00 0.00 ATOM 76 N ALA 20 9.035 31.567 6.885 1.00 0.00 ATOM 77 CA ALA 20 9.300 31.903 5.496 1.00 0.00 ATOM 78 CB ALA 20 10.390 30.936 4.889 1.00 0.00 ATOM 79 O ALA 20 7.422 30.708 4.604 1.00 0.00 ATOM 80 C ALA 20 8.020 31.790 4.713 1.00 0.00 ATOM 81 N PHE 21 7.591 32.899 4.132 1.00 0.00 ATOM 82 CA PHE 21 6.542 32.791 3.161 1.00 0.00 ATOM 83 CB PHE 21 5.147 33.077 3.793 1.00 0.00 ATOM 84 CG PHE 21 5.013 34.452 4.386 1.00 0.00 ATOM 85 CD1 PHE 21 4.246 35.412 3.752 1.00 0.00 ATOM 86 CD2 PHE 21 5.651 34.777 5.588 1.00 0.00 ATOM 87 CE1 PHE 21 4.119 36.686 4.291 1.00 0.00 ATOM 88 CE2 PHE 21 5.535 36.061 6.153 1.00 0.00 ATOM 89 CZ PHE 21 4.770 37.015 5.501 1.00 0.00 ATOM 90 O PHE 21 7.960 34.261 1.915 1.00 0.00 ATOM 91 C PHE 21 6.911 33.630 1.923 1.00 0.00 ATOM 92 N PRO 22 6.100 33.550 0.856 1.00 0.00 ATOM 93 CA PRO 22 6.511 34.072 -0.454 1.00 0.00 ATOM 94 CB PRO 22 5.306 33.788 -1.344 1.00 0.00 ATOM 95 CG PRO 22 4.618 32.639 -0.644 1.00 0.00 ATOM 96 CD PRO 22 4.788 32.879 0.786 1.00 0.00 ATOM 97 O PRO 22 7.850 35.927 -1.106 1.00 0.00 ATOM 98 C PRO 22 6.872 35.549 -0.456 1.00 0.00 ATOM 99 N GLU 23 6.154 36.358 0.308 1.00 0.00 ATOM 100 CA GLU 23 6.347 37.814 0.221 1.00 0.00 ATOM 101 CB GLU 23 5.003 38.543 0.392 1.00 0.00 ATOM 102 CG GLU 23 3.846 38.039 -0.545 1.00 0.00 ATOM 103 CD GLU 23 3.054 36.792 -0.020 1.00 0.00 ATOM 104 OE1 GLU 23 3.264 36.352 1.147 1.00 0.00 ATOM 105 OE2 GLU 23 2.206 36.263 -0.796 1.00 0.00 ATOM 106 O GLU 23 7.811 39.467 1.107 1.00 0.00 ATOM 107 C GLU 23 7.357 38.347 1.233 1.00 0.00 ATOM 108 N ARG 24 7.690 37.566 2.254 1.00 0.00 ATOM 109 CA ARG 24 8.562 38.055 3.306 1.00 0.00 ATOM 110 CB ARG 24 7.792 39.004 4.255 1.00 0.00 ATOM 111 CG ARG 24 8.309 38.999 5.699 1.00 0.00 ATOM 112 CD ARG 24 7.888 40.252 6.475 1.00 0.00 ATOM 113 NE ARG 24 6.507 40.199 6.965 1.00 0.00 ATOM 114 CZ ARG 24 6.154 40.438 8.228 1.00 0.00 ATOM 115 NH1 ARG 24 7.088 40.725 9.134 1.00 0.00 ATOM 116 NH2 ARG 24 4.865 40.402 8.577 1.00 0.00 ATOM 117 O ARG 24 8.635 35.810 4.168 1.00 0.00 ATOM 118 C ARG 24 9.185 36.916 4.105 1.00 0.00 ATOM 119 N TYR 25 10.343 37.200 4.687 1.00 0.00 ATOM 120 CA TYR 25 10.994 36.312 5.613 1.00 0.00 ATOM 121 CB TYR 25 12.450 36.091 5.214 1.00 0.00 ATOM 122 CG TYR 25 13.173 35.117 6.098 1.00 0.00 ATOM 123 CD1 TYR 25 12.845 33.773 6.082 1.00 0.00 ATOM 124 CD2 TYR 25 14.203 35.535 6.934 1.00 0.00 ATOM 125 CE1 TYR 25 13.498 32.871 6.884 1.00 0.00 ATOM 126 CE2 TYR 25 14.869 34.624 7.751 1.00 0.00 ATOM 127 CZ TYR 25 14.511 33.304 7.709 1.00 0.00 ATOM 128 OH TYR 25 15.138 32.396 8.530 1.00 0.00 ATOM 129 O TYR 25 11.482 38.006 7.219 1.00 0.00 ATOM 130 C TYR 25 10.922 36.947 6.992 1.00 0.00 ATOM 131 N TYR 26 10.208 36.302 7.912 1.00 0.00 ATOM 132 CA TYR 26 10.097 36.783 9.292 1.00 0.00 ATOM 133 CB TYR 26 8.661 36.541 9.763 1.00 0.00 ATOM 134 CG TYR 26 8.399 36.828 11.242 1.00 0.00 ATOM 135 CD1 TYR 26 8.023 38.110 11.673 1.00 0.00 ATOM 136 CD2 TYR 26 8.515 35.817 12.207 1.00 0.00 ATOM 137 CE1 TYR 26 7.777 38.375 13.040 1.00 0.00 ATOM 138 CE2 TYR 26 8.265 36.073 13.570 1.00 0.00 ATOM 139 CZ TYR 26 7.898 37.344 13.958 1.00 0.00 ATOM 140 OH TYR 26 7.639 37.585 15.277 1.00 0.00 ATOM 141 O TYR 26 11.146 34.848 10.206 1.00 0.00 ATOM 142 C TYR 26 11.096 36.064 10.202 1.00 0.00 ATOM 143 N LEU 27 11.889 36.809 10.966 1.00 0.00 ATOM 144 CA LEU 27 12.837 36.221 11.909 1.00 0.00 ATOM 145 CB LEU 27 14.269 36.191 11.331 1.00 0.00 ATOM 146 CG LEU 27 15.423 35.581 12.170 1.00 0.00 ATOM 147 CD1 LEU 27 15.273 34.100 12.460 1.00 0.00 ATOM 148 CD2 LEU 27 16.842 35.836 11.507 1.00 0.00 ATOM 149 O LEU 27 12.877 38.222 13.208 1.00 0.00 ATOM 150 C LEU 27 12.802 36.984 13.213 1.00 0.00 ATOM 151 N LYS 28 12.696 36.266 14.328 1.00 0.00 ATOM 152 CA LYS 28 12.679 36.909 15.634 1.00 0.00 ATOM 153 CB LYS 28 11.240 37.093 16.125 1.00 0.00 ATOM 154 CG LYS 28 11.075 38.168 17.193 1.00 0.00 ATOM 155 CD LYS 28 9.705 38.097 17.836 1.00 0.00 ATOM 156 CE LYS 28 9.429 39.313 18.700 1.00 0.00 ATOM 157 NZ LYS 28 8.103 39.170 19.375 1.00 0.00 ATOM 158 O LYS 28 13.451 34.900 16.697 1.00 0.00 ATOM 159 C LYS 28 13.508 36.133 16.653 1.00 0.00 ATOM 160 N SER 29 14.283 36.868 17.456 1.00 0.00 ATOM 161 CA SER 29 15.117 36.296 18.525 1.00 0.00 ATOM 162 CB SER 29 16.463 37.023 18.650 1.00 0.00 ATOM 163 OG SER 29 17.212 36.982 17.447 1.00 0.00 ATOM 164 O SER 29 13.788 37.522 20.053 1.00 0.00 ATOM 165 C SER 29 14.399 36.486 19.842 1.00 0.00 ATOM 166 N PHE 30 14.490 35.479 20.718 1.00 0.00 ATOM 167 CA PHE 30 13.818 35.447 22.031 1.00 0.00 ATOM 168 CB PHE 30 12.559 34.569 22.011 1.00 0.00 ATOM 169 CG PHE 30 11.593 34.878 20.904 1.00 0.00 ATOM 170 CD1 PHE 30 11.711 34.246 19.662 1.00 0.00 ATOM 171 CD2 PHE 30 10.538 35.762 21.114 1.00 0.00 ATOM 172 CE1 PHE 30 10.804 34.518 18.637 1.00 0.00 ATOM 173 CE2 PHE 30 9.628 36.043 20.103 1.00 0.00 ATOM 174 CZ PHE 30 9.759 35.427 18.858 1.00 0.00 ATOM 175 O PHE 30 15.597 33.997 22.738 1.00 0.00 ATOM 176 C PHE 30 14.733 34.820 23.078 1.00 0.00 ATOM 177 N GLN 31 14.525 35.188 24.349 1.00 0.00 ATOM 178 CA GLN 31 15.105 34.444 25.471 1.00 0.00 ATOM 179 CB GLN 31 15.795 35.370 26.477 1.00 0.00 ATOM 180 CG GLN 31 17.219 35.695 26.086 1.00 0.00 ATOM 181 CD GLN 31 18.125 36.042 27.277 1.00 0.00 ATOM 182 OE1 GLN 31 17.679 36.096 28.438 1.00 0.00 ATOM 183 NE2 GLN 31 19.407 36.280 26.988 1.00 0.00 ATOM 184 O GLN 31 12.909 34.279 26.391 1.00 0.00 ATOM 185 C GLN 31 13.981 33.709 26.137 1.00 0.00 ATOM 186 N VAL 32 14.201 32.435 26.405 1.00 0.00 ATOM 187 CA VAL 32 13.152 31.618 27.008 1.00 0.00 ATOM 188 CB VAL 32 12.430 30.721 25.948 1.00 0.00 ATOM 189 CG1 VAL 32 11.636 31.593 24.977 1.00 0.00 ATOM 190 CG2 VAL 32 13.429 29.846 25.185 1.00 0.00 ATOM 191 O VAL 32 15.007 30.577 28.081 1.00 0.00 ATOM 192 C VAL 32 13.781 30.743 28.072 1.00 0.00 ATOM 193 N ASP 33 12.944 30.169 28.933 1.00 0.00 ATOM 194 CA ASP 33 13.406 29.251 29.961 1.00 0.00 ATOM 195 CB ASP 33 12.249 28.780 30.857 1.00 0.00 ATOM 196 CG ASP 33 11.571 29.921 31.602 1.00 0.00 ATOM 197 OD1 ASP 33 12.267 30.920 31.954 1.00 0.00 ATOM 198 OD2 ASP 33 10.333 29.814 31.824 1.00 0.00 ATOM 199 O ASP 33 13.422 27.326 28.537 1.00 0.00 ATOM 200 C ASP 33 14.038 28.023 29.349 1.00 0.00 ATOM 201 N GLU 34 15.266 27.746 29.759 1.00 0.00 ATOM 202 CA GLU 34 15.862 26.447 29.522 1.00 0.00 ATOM 203 CB GLU 34 17.045 26.298 30.461 1.00 0.00 ATOM 204 CG GLU 34 17.845 25.035 30.295 1.00 0.00 ATOM 205 CD GLU 34 19.229 25.158 30.953 1.00 0.00 ATOM 206 OE1 GLU 34 20.228 25.363 30.208 1.00 0.00 ATOM 207 OE2 GLU 34 19.297 25.075 32.211 1.00 0.00 ATOM 208 O GLU 34 14.041 25.455 30.740 1.00 0.00 ATOM 209 C GLU 34 14.805 25.355 29.785 1.00 0.00 ATOM 210 N GLY 35 14.750 24.335 28.930 1.00 0.00 ATOM 211 CA GLY 35 13.788 23.241 29.077 1.00 0.00 ATOM 212 O GLY 35 11.708 22.410 28.234 1.00 0.00 ATOM 213 C GLY 35 12.467 23.375 28.324 1.00 0.00 ATOM 214 N ILE 36 12.188 24.565 27.798 1.00 0.00 ATOM 215 CA ILE 36 10.994 24.834 26.979 1.00 0.00 ATOM 216 CB ILE 36 10.956 26.362 26.591 1.00 0.00 ATOM 217 CG1 ILE 36 9.634 26.789 25.982 1.00 0.00 ATOM 218 CG2 ILE 36 12.073 26.746 25.625 1.00 0.00 ATOM 219 CD1 ILE 36 9.602 28.276 25.595 1.00 0.00 ATOM 220 O ILE 36 11.964 23.573 25.125 1.00 0.00 ATOM 221 C ILE 36 10.928 23.898 25.728 1.00 0.00 ATOM 222 N THR 37 9.717 23.448 25.373 1.00 0.00 ATOM 223 CA THR 37 9.501 22.653 24.166 1.00 0.00 ATOM 224 CB THR 37 8.252 21.753 24.277 1.00 0.00 ATOM 225 CG2 THR 37 8.393 20.766 25.458 1.00 0.00 ATOM 226 OG1 THR 37 7.075 22.571 24.427 1.00 0.00 ATOM 227 O THR 37 9.123 24.749 23.126 1.00 0.00 ATOM 228 C THR 37 9.328 23.555 22.975 1.00 0.00 ATOM 229 N VAL 38 9.445 22.986 21.776 1.00 0.00 ATOM 230 CA VAL 38 9.208 23.749 20.548 1.00 0.00 ATOM 231 CB VAL 38 9.309 22.832 19.295 1.00 0.00 ATOM 232 CG1 VAL 38 8.903 23.590 18.034 1.00 0.00 ATOM 233 CG2 VAL 38 10.731 22.218 19.214 1.00 0.00 ATOM 234 O VAL 38 7.654 25.564 20.215 1.00 0.00 ATOM 235 C VAL 38 7.818 24.393 20.570 1.00 0.00 ATOM 236 N GLN 39 6.800 23.636 20.982 1.00 0.00 ATOM 237 CA GLN 39 5.426 24.140 20.942 1.00 0.00 ATOM 238 CB GLN 39 4.453 23.042 21.390 1.00 0.00 ATOM 239 CG GLN 39 2.982 23.202 20.952 1.00 0.00 ATOM 240 CD GLN 39 2.230 21.856 21.096 1.00 0.00 ATOM 241 OE1 GLN 39 1.821 21.260 20.123 1.00 0.00 ATOM 242 NE2 GLN 39 2.147 21.361 22.315 1.00 0.00 ATOM 243 O GLN 39 4.548 26.286 21.520 1.00 0.00 ATOM 244 C GLN 39 5.248 25.327 21.860 1.00 0.00 ATOM 245 N THR 40 5.840 25.253 23.044 1.00 0.00 ATOM 246 CA THR 40 5.675 26.330 24.035 1.00 0.00 ATOM 247 CB THR 40 6.321 25.939 25.388 1.00 0.00 ATOM 248 CG2 THR 40 6.232 27.053 26.407 1.00 0.00 ATOM 249 OG1 THR 40 5.652 24.786 25.910 1.00 0.00 ATOM 250 O THR 40 5.741 28.675 23.539 1.00 0.00 ATOM 251 C THR 40 6.329 27.593 23.481 1.00 0.00 ATOM 252 N ALA 41 7.521 27.428 22.874 1.00 0.00 ATOM 253 CA ALA 41 8.217 28.544 22.248 1.00 0.00 ATOM 254 CB ALA 41 9.599 28.084 21.654 1.00 0.00 ATOM 255 O ALA 41 7.240 30.392 21.097 1.00 0.00 ATOM 256 C ALA 41 7.343 29.173 21.181 1.00 0.00 ATOM 257 N ILE 42 6.689 28.357 20.365 1.00 0.00 ATOM 258 CA ILE 42 5.861 28.896 19.283 1.00 0.00 ATOM 259 CB ILE 42 5.339 27.773 18.372 1.00 0.00 ATOM 260 CG1 ILE 42 6.500 27.144 17.580 1.00 0.00 ATOM 261 CG2 ILE 42 4.212 28.295 17.474 1.00 0.00 ATOM 262 CD1 ILE 42 6.083 25.904 16.789 1.00 0.00 ATOM 263 O ILE 42 4.394 30.818 19.433 1.00 0.00 ATOM 264 C ILE 42 4.656 29.673 19.832 1.00 0.00 ATOM 265 N THR 43 3.910 29.051 20.741 1.00 0.00 ATOM 266 CA THR 43 2.763 29.748 21.342 1.00 0.00 ATOM 267 CB THR 43 1.894 28.837 22.250 1.00 0.00 ATOM 268 CG2 THR 43 1.353 27.724 21.425 1.00 0.00 ATOM 269 OG1 THR 43 2.689 28.317 23.319 1.00 0.00 ATOM 270 O THR 43 2.570 32.028 21.958 1.00 0.00 ATOM 271 C THR 43 3.199 30.976 22.083 1.00 0.00 ATOM 272 N GLN 44 4.303 30.875 22.805 1.00 0.00 ATOM 273 CA GLN 44 4.867 32.021 23.545 1.00 0.00 ATOM 274 CB GLN 44 6.093 31.556 24.324 1.00 0.00 ATOM 275 CG GLN 44 6.372 32.278 25.599 1.00 0.00 ATOM 276 CD GLN 44 7.248 31.462 26.564 1.00 0.00 ATOM 277 OE1 GLN 44 6.801 30.476 27.175 1.00 0.00 ATOM 278 NE2 GLN 44 8.493 31.899 26.729 1.00 0.00 ATOM 279 O GLN 44 5.171 34.379 23.081 1.00 0.00 ATOM 280 C GLN 44 5.270 33.218 22.659 1.00 0.00 ATOM 281 N SER 45 5.735 32.932 21.442 1.00 0.00 ATOM 282 CA SER 45 6.274 33.962 20.556 1.00 0.00 ATOM 283 CB SER 45 6.982 33.289 19.387 1.00 0.00 ATOM 284 OG SER 45 6.036 32.764 18.467 1.00 0.00 ATOM 285 O SER 45 5.450 35.961 19.491 1.00 0.00 ATOM 286 C SER 45 5.178 34.866 20.002 1.00 0.00 ATOM 287 N GLY 46 3.935 34.395 20.069 1.00 0.00 ATOM 288 CA GLY 46 2.833 35.117 19.414 1.00 0.00 ATOM 289 O GLY 46 2.018 35.650 17.235 1.00 0.00 ATOM 290 C GLY 46 2.833 35.019 17.906 1.00 0.00 ATOM 291 N ILE 47 3.720 34.204 17.345 1.00 0.00 ATOM 292 CA ILE 47 3.760 34.084 15.878 1.00 0.00 ATOM 293 CB ILE 47 4.994 33.235 15.386 1.00 0.00 ATOM 294 CG1 ILE 47 5.333 33.588 13.935 1.00 0.00 ATOM 295 CG2 ILE 47 4.777 31.697 15.638 1.00 0.00 ATOM 296 CD1 ILE 47 6.542 32.859 13.392 1.00 0.00 ATOM 297 O ILE 47 2.053 33.948 14.177 1.00 0.00 ATOM 298 C ILE 47 2.428 33.590 15.290 1.00 0.00 ATOM 299 N LEU 48 1.695 32.764 16.036 1.00 0.00 ATOM 300 CA LEU 48 0.435 32.206 15.483 1.00 0.00 ATOM 301 CB LEU 48 -0.007 30.943 16.258 1.00 0.00 ATOM 302 CG LEU 48 0.972 29.789 16.447 1.00 0.00 ATOM 303 CD1 LEU 48 0.303 28.798 17.373 1.00 0.00 ATOM 304 CD2 LEU 48 1.299 29.124 15.086 1.00 0.00 ATOM 305 O LEU 48 -1.586 33.151 14.530 1.00 0.00 ATOM 306 C LEU 48 -0.711 33.240 15.400 1.00 0.00 ATOM 307 N SER 49 -0.692 34.222 16.292 1.00 0.00 ATOM 308 CA SER 49 -1.652 35.342 16.190 1.00 0.00 ATOM 309 CB SER 49 -1.681 36.161 17.486 1.00 0.00 ATOM 310 OG SER 49 -1.726 35.310 18.620 1.00 0.00 ATOM 311 O SER 49 -2.109 36.670 14.224 1.00 0.00 ATOM 312 C SER 49 -1.265 36.250 15.027 1.00 0.00 ATOM 313 N GLN 50 0.034 36.527 14.928 1.00 0.00 ATOM 314 CA GLN 50 0.564 37.389 13.865 1.00 0.00 ATOM 315 CB GLN 50 2.034 37.678 14.101 1.00 0.00 ATOM 316 CG GLN 50 2.551 38.833 13.289 1.00 0.00 ATOM 317 CD GLN 50 3.930 39.242 13.738 1.00 0.00 ATOM 318 OE1 GLN 50 4.539 40.166 13.178 1.00 0.00 ATOM 319 NE2 GLN 50 4.441 38.562 14.763 1.00 0.00 ATOM 320 O GLN 50 0.071 37.584 11.542 1.00 0.00 ATOM 321 C GLN 50 0.332 36.828 12.477 1.00 0.00 ATOM 322 N PHE 51 0.412 35.503 12.329 1.00 0.00 ATOM 323 CA PHE 51 0.201 34.851 11.043 1.00 0.00 ATOM 324 CB PHE 51 1.523 34.298 10.530 1.00 0.00 ATOM 325 CG PHE 51 2.597 35.325 10.431 1.00 0.00 ATOM 326 CD1 PHE 51 2.617 36.207 9.367 1.00 0.00 ATOM 327 CD2 PHE 51 3.562 35.437 11.423 1.00 0.00 ATOM 328 CE1 PHE 51 3.624 37.190 9.276 1.00 0.00 ATOM 329 CE2 PHE 51 4.562 36.399 11.344 1.00 0.00 ATOM 330 CZ PHE 51 4.600 37.275 10.251 1.00 0.00 ATOM 331 O PHE 51 -0.405 32.570 11.459 1.00 0.00 ATOM 332 C PHE 51 -0.799 33.716 11.220 1.00 0.00 ATOM 333 N PRO 52 -2.107 34.046 11.165 1.00 0.00 ATOM 334 CA PRO 52 -3.209 33.077 11.405 1.00 0.00 ATOM 335 CB PRO 52 -4.500 33.900 11.184 1.00 0.00 ATOM 336 CG PRO 52 -4.024 35.212 10.469 1.00 0.00 ATOM 337 CD PRO 52 -2.595 35.427 10.944 1.00 0.00 ATOM 338 O PRO 52 -3.773 30.829 10.788 1.00 0.00 ATOM 339 C PRO 52 -3.202 31.888 10.463 1.00 0.00 ATOM 340 N GLU 53 -2.581 32.065 9.299 1.00 0.00 ATOM 341 CA GLU 53 -2.492 30.986 8.328 1.00 0.00 ATOM 342 CB GLU 53 -2.094 31.541 6.957 1.00 0.00 ATOM 343 CG GLU 53 -0.603 31.864 6.790 1.00 0.00 ATOM 344 CD GLU 53 -0.200 33.305 7.191 1.00 0.00 ATOM 345 OE1 GLU 53 -0.990 34.044 7.862 1.00 0.00 ATOM 346 OE2 GLU 53 0.948 33.687 6.820 1.00 0.00 ATOM 347 O GLU 53 -1.622 28.757 8.172 1.00 0.00 ATOM 348 C GLU 53 -1.554 29.834 8.755 1.00 0.00 ATOM 349 N ILE 54 -0.698 30.044 9.755 1.00 0.00 ATOM 350 CA ILE 54 0.200 28.966 10.196 1.00 0.00 ATOM 351 CB ILE 54 1.275 29.442 11.158 1.00 0.00 ATOM 352 CG1 ILE 54 2.190 30.464 10.465 1.00 0.00 ATOM 353 CG2 ILE 54 2.083 28.258 11.708 1.00 0.00 ATOM 354 CD1 ILE 54 3.267 31.064 11.369 1.00 0.00 ATOM 355 O ILE 54 -1.490 28.142 11.707 1.00 0.00 ATOM 356 C ILE 54 -0.638 27.871 10.836 1.00 0.00 ATOM 357 N ASP 55 -0.434 26.644 10.379 1.00 0.00 ATOM 358 CA ASP 55 -1.183 25.493 10.859 1.00 0.00 ATOM 359 CB ASP 55 -1.959 24.937 9.676 1.00 0.00 ATOM 360 CG ASP 55 -2.703 23.656 9.983 1.00 0.00 ATOM 361 OD1 ASP 55 -2.433 22.973 10.991 1.00 0.00 ATOM 362 OD2 ASP 55 -3.556 23.309 9.144 1.00 0.00 ATOM 363 O ASP 55 0.643 23.939 10.605 1.00 0.00 ATOM 364 C ASP 55 -0.174 24.469 11.381 1.00 0.00 ATOM 365 N LEU 56 -0.211 24.191 12.682 1.00 0.00 ATOM 366 CA LEU 56 0.796 23.303 13.307 1.00 0.00 ATOM 367 CB LEU 56 0.630 23.323 14.811 1.00 0.00 ATOM 368 CG LEU 56 0.914 24.658 15.491 1.00 0.00 ATOM 369 CD1 LEU 56 0.413 24.595 16.917 1.00 0.00 ATOM 370 CD2 LEU 56 2.398 24.992 15.451 1.00 0.00 ATOM 371 O LEU 56 1.826 21.172 12.996 1.00 0.00 ATOM 372 C LEU 56 0.839 21.849 12.786 1.00 0.00 ATOM 373 N SER 57 -0.227 21.376 12.128 1.00 0.00 ATOM 374 CA SER 57 -0.235 20.033 11.525 1.00 0.00 ATOM 375 CB SER 57 -1.601 19.354 11.714 1.00 0.00 ATOM 376 OG SER 57 -2.604 20.130 11.050 1.00 0.00 ATOM 377 O SER 57 0.238 18.901 9.470 1.00 0.00 ATOM 378 C SER 57 0.064 19.989 10.014 1.00 0.00 ATOM 379 N THR 58 0.136 21.155 9.375 1.00 0.00 ATOM 380 CA THR 58 0.245 21.273 7.931 1.00 0.00 ATOM 381 CB THR 58 -1.004 21.972 7.370 1.00 0.00 ATOM 382 CG2 THR 58 -0.930 22.115 5.864 1.00 0.00 ATOM 383 OG1 THR 58 -2.177 21.209 7.718 1.00 0.00 ATOM 384 O THR 58 2.149 21.612 6.459 1.00 0.00 ATOM 385 C THR 58 1.552 21.979 7.468 1.00 0.00 ATOM 386 N ASN 59 1.983 22.988 8.212 1.00 0.00 ATOM 387 CA ASN 59 3.279 23.679 7.950 1.00 0.00 ATOM 388 CB ASN 59 3.440 24.957 8.751 1.00 0.00 ATOM 389 CG ASN 59 2.689 26.077 8.129 1.00 0.00 ATOM 390 ND2 ASN 59 3.380 26.892 7.334 1.00 0.00 ATOM 391 OD1 ASN 59 1.478 26.199 8.318 1.00 0.00 ATOM 392 O ASN 59 4.351 21.844 9.023 1.00 0.00 ATOM 393 C ASN 59 4.443 22.764 8.204 1.00 0.00 ATOM 394 N LYS 60 5.515 22.975 7.446 1.00 0.00 ATOM 395 CA LYS 60 6.774 22.294 7.700 1.00 0.00 ATOM 396 CB LYS 60 7.686 22.397 6.477 1.00 0.00 ATOM 397 CG LYS 60 7.240 21.413 5.374 1.00 0.00 ATOM 398 CD LYS 60 8.387 20.792 4.684 1.00 0.00 ATOM 399 CE LYS 60 7.956 20.044 3.461 1.00 0.00 ATOM 400 NZ LYS 60 8.826 20.550 2.338 1.00 0.00 ATOM 401 O LYS 60 7.358 24.225 8.965 1.00 0.00 ATOM 402 C LYS 60 7.398 23.003 8.892 1.00 0.00 ATOM 403 N ILE 61 7.915 22.240 9.843 1.00 0.00 ATOM 404 CA ILE 61 8.581 22.817 11.011 1.00 0.00 ATOM 405 CB ILE 61 7.692 22.855 12.319 1.00 0.00 ATOM 406 CG1 ILE 61 6.372 23.608 12.062 1.00 0.00 ATOM 407 CG2 ILE 61 8.450 23.611 13.450 1.00 0.00 ATOM 408 CD1 ILE 61 5.287 23.359 13.164 1.00 0.00 ATOM 409 O ILE 61 9.744 20.788 11.518 1.00 0.00 ATOM 410 C ILE 61 9.808 21.998 11.316 1.00 0.00 ATOM 411 N GLY 62 10.949 22.659 11.310 1.00 0.00 ATOM 412 CA GLY 62 12.198 21.989 11.650 1.00 0.00 ATOM 413 O GLY 62 12.628 23.992 12.873 1.00 0.00 ATOM 414 C GLY 62 12.998 22.844 12.593 1.00 0.00 ATOM 415 N ILE 63 14.069 22.269 13.117 1.00 0.00 ATOM 416 CA ILE 63 14.862 22.929 14.135 1.00 0.00 ATOM 417 CB ILE 63 14.837 22.119 15.456 1.00 0.00 ATOM 418 CG1 ILE 63 13.413 21.892 16.015 1.00 0.00 ATOM 419 CG2 ILE 63 15.790 22.665 16.522 1.00 0.00 ATOM 420 CD1 ILE 63 12.641 23.131 16.324 1.00 0.00 ATOM 421 O ILE 63 16.857 21.824 13.366 1.00 0.00 ATOM 422 C ILE 63 16.290 22.899 13.619 1.00 0.00 ATOM 423 N PHE 64 16.886 24.078 13.511 1.00 0.00 ATOM 424 CA PHE 64 18.303 24.156 13.206 1.00 0.00 ATOM 425 CB PHE 64 18.596 25.356 12.265 1.00 0.00 ATOM 426 CG PHE 64 20.074 25.543 12.020 1.00 0.00 ATOM 427 CD1 PHE 64 20.764 24.654 11.193 1.00 0.00 ATOM 428 CD2 PHE 64 20.786 26.544 12.680 1.00 0.00 ATOM 429 CE1 PHE 64 22.138 24.782 10.996 1.00 0.00 ATOM 430 CE2 PHE 64 22.165 26.685 12.473 1.00 0.00 ATOM 431 CZ PHE 64 22.834 25.789 11.636 1.00 0.00 ATOM 432 O PHE 64 18.848 25.158 15.327 1.00 0.00 ATOM 433 C PHE 64 19.116 24.273 14.499 1.00 0.00 ATOM 434 N SER 65 20.081 23.381 14.689 1.00 0.00 ATOM 435 CA SER 65 20.946 23.383 15.870 1.00 0.00 ATOM 436 CB SER 65 20.857 22.049 16.612 1.00 0.00 ATOM 437 OG SER 65 19.535 21.840 17.115 1.00 0.00 ATOM 438 O SER 65 22.882 22.892 14.550 1.00 0.00 ATOM 439 C SER 65 22.433 23.561 15.463 1.00 0.00 ATOM 440 N ARG 66 23.153 24.423 16.193 1.00 0.00 ATOM 441 CA ARG 66 24.596 24.635 16.015 1.00 0.00 ATOM 442 CB ARG 66 24.880 25.521 14.790 1.00 0.00 ATOM 443 CG ARG 66 26.377 25.675 14.478 1.00 0.00 ATOM 444 CD ARG 66 26.618 26.860 13.568 1.00 0.00 ATOM 445 NE ARG 66 27.900 27.509 13.856 1.00 0.00 ATOM 446 CZ ARG 66 28.452 28.450 13.096 1.00 0.00 ATOM 447 NH1 ARG 66 29.614 28.981 13.434 1.00 0.00 ATOM 448 NH2 ARG 66 27.845 28.847 11.990 1.00 0.00 ATOM 449 O ARG 66 24.535 26.265 17.750 1.00 0.00 ATOM 450 C ARG 66 25.153 25.314 17.261 1.00 0.00 ATOM 451 N PRO 67 26.317 24.819 17.797 1.00 0.00 ATOM 452 CA PRO 67 27.219 23.627 17.528 1.00 0.00 ATOM 453 CB PRO 67 28.360 23.770 18.559 1.00 0.00 ATOM 454 CG PRO 67 27.752 24.656 19.675 1.00 0.00 ATOM 455 CD PRO 67 26.868 25.654 18.896 1.00 0.00 ATOM 456 O PRO 67 25.557 22.413 18.699 1.00 0.00 ATOM 457 C PRO 67 26.329 22.431 17.744 1.00 0.00 ATOM 458 N ILE 68 26.448 21.377 16.955 1.00 0.00 ATOM 459 CA ILE 68 26.525 19.994 17.380 1.00 0.00 ATOM 460 CB ILE 68 25.727 19.168 16.293 1.00 0.00 ATOM 461 CG1 ILE 68 26.438 19.124 14.938 1.00 0.00 ATOM 462 CG2 ILE 68 24.394 19.888 15.986 1.00 0.00 ATOM 463 CD1 ILE 68 27.601 18.101 14.798 1.00 0.00 ATOM 464 O ILE 68 28.834 19.851 17.818 1.00 0.00 ATOM 465 C ILE 68 27.758 19.278 17.826 1.00 0.00 ATOM 466 N LYS 69 27.571 18.020 18.227 1.00 0.00 ATOM 467 CA LYS 69 28.689 17.132 18.570 1.00 0.00 ATOM 468 CB LYS 69 28.524 16.549 19.985 1.00 0.00 ATOM 469 CG LYS 69 28.523 17.659 21.074 1.00 0.00 ATOM 470 CD LYS 69 28.173 17.102 22.432 1.00 0.00 ATOM 471 CE LYS 69 28.142 18.227 23.477 1.00 0.00 ATOM 472 NZ LYS 69 27.698 17.662 24.806 1.00 0.00 ATOM 473 O LYS 69 27.890 15.428 17.052 1.00 0.00 ATOM 474 C LYS 69 28.883 16.016 17.555 1.00 0.00 ATOM 475 N LEU 70 30.154 15.714 17.262 1.00 0.00 ATOM 476 CA LEU 70 30.473 14.640 16.317 1.00 0.00 ATOM 477 CB LEU 70 31.970 14.527 16.012 1.00 0.00 ATOM 478 CG LEU 70 32.482 15.727 15.187 1.00 0.00 ATOM 479 CD1 LEU 70 33.983 15.584 14.920 1.00 0.00 ATOM 480 CD2 LEU 70 31.748 15.806 13.838 1.00 0.00 ATOM 481 O LEU 70 29.714 12.402 16.050 1.00 0.00 ATOM 482 C LEU 70 29.928 13.340 16.819 1.00 0.00 ATOM 483 N THR 71 29.682 13.293 18.119 1.00 0.00 ATOM 484 CA THR 71 29.131 12.064 18.740 1.00 0.00 ATOM 485 CB THR 71 29.597 11.912 20.211 1.00 0.00 ATOM 486 CG2 THR 71 31.105 11.607 20.275 1.00 0.00 ATOM 487 OG1 THR 71 29.299 13.121 20.924 1.00 0.00 ATOM 488 O THR 71 27.054 10.903 19.041 1.00 0.00 ATOM 489 C THR 71 27.593 11.967 18.736 1.00 0.00 ATOM 490 N ASP 72 26.895 13.058 18.402 1.00 0.00 ATOM 491 CA ASP 72 25.432 13.017 18.273 1.00 0.00 ATOM 492 CB ASP 72 24.890 14.374 17.807 1.00 0.00 ATOM 493 CG ASP 72 25.031 15.461 18.880 1.00 0.00 ATOM 494 OD1 ASP 72 25.292 15.112 20.061 1.00 0.00 ATOM 495 OD2 ASP 72 24.870 16.669 18.573 1.00 0.00 ATOM 496 O ASP 72 25.523 11.587 16.272 1.00 0.00 ATOM 497 C ASP 72 24.944 11.875 17.356 1.00 0.00 ATOM 498 N VAL 73 23.894 11.194 17.813 1.00 0.00 ATOM 499 CA VAL 73 23.341 10.085 17.058 1.00 0.00 ATOM 500 CB VAL 73 22.730 8.982 17.999 1.00 0.00 ATOM 501 CG1 VAL 73 22.122 7.857 17.201 1.00 0.00 ATOM 502 CG2 VAL 73 23.820 8.425 18.942 1.00 0.00 ATOM 503 O VAL 73 21.468 11.515 16.493 1.00 0.00 ATOM 504 C VAL 73 22.309 10.702 16.096 1.00 0.00 ATOM 505 N LEU 74 22.423 10.357 14.823 1.00 0.00 ATOM 506 CA LEU 74 21.535 10.913 13.799 1.00 0.00 ATOM 507 CB LEU 74 22.103 10.582 12.421 1.00 0.00 ATOM 508 CG LEU 74 23.376 11.386 12.090 1.00 0.00 ATOM 509 CD1 LEU 74 24.077 10.852 10.824 1.00 0.00 ATOM 510 CD2 LEU 74 23.065 12.898 11.968 1.00 0.00 ATOM 511 O LEU 74 19.938 9.193 14.290 1.00 0.00 ATOM 512 C LEU 74 20.115 10.358 13.937 1.00 0.00 ATOM 513 N LYS 75 19.130 11.214 13.663 1.00 0.00 ATOM 514 CA LYS 75 17.723 10.838 13.573 1.00 0.00 ATOM 515 CB LYS 75 16.883 11.811 14.419 1.00 0.00 ATOM 516 CG LYS 75 17.153 11.767 15.918 1.00 0.00 ATOM 517 CD LYS 75 16.161 12.694 16.645 1.00 0.00 ATOM 518 CE LYS 75 15.910 12.183 18.097 1.00 0.00 ATOM 519 NZ LYS 75 14.981 10.985 18.100 1.00 0.00 ATOM 520 O LYS 75 17.808 11.660 11.285 1.00 0.00 ATOM 521 C LYS 75 17.232 10.916 12.128 1.00 0.00 ATOM 522 N GLU 76 16.152 10.187 11.838 1.00 0.00 ATOM 523 CA GLU 76 15.500 10.231 10.521 1.00 0.00 ATOM 524 CB GLU 76 14.150 9.481 10.550 1.00 0.00 ATOM 525 CG GLU 76 13.207 9.793 9.327 1.00 0.00 ATOM 526 CD GLU 76 13.692 9.185 7.990 1.00 0.00 ATOM 527 OE1 GLU 76 14.244 8.078 8.016 1.00 0.00 ATOM 528 OE2 GLU 76 13.499 9.811 6.915 1.00 0.00 ATOM 529 O GLU 76 14.821 12.540 10.767 1.00 0.00 ATOM 530 C GLU 76 15.317 11.675 10.038 1.00 0.00 ATOM 531 N GLY 77 15.773 11.951 8.825 1.00 0.00 ATOM 532 CA GLY 77 15.650 13.288 8.249 1.00 0.00 ATOM 533 O GLY 77 16.492 15.510 8.407 1.00 0.00 ATOM 534 C GLY 77 16.645 14.338 8.747 1.00 0.00 ATOM 535 N ASP 78 17.640 13.956 9.549 1.00 0.00 ATOM 536 CA ASP 78 18.675 14.948 9.950 1.00 0.00 ATOM 537 CB ASP 78 19.606 14.380 11.033 1.00 0.00 ATOM 538 CG ASP 78 19.054 14.558 12.459 1.00 0.00 ATOM 539 OD1 ASP 78 18.039 15.277 12.640 1.00 0.00 ATOM 540 OD2 ASP 78 19.661 13.990 13.415 1.00 0.00 ATOM 541 O ASP 78 19.930 14.537 7.940 1.00 0.00 ATOM 542 C ASP 78 19.510 15.370 8.731 1.00 0.00 ATOM 543 N ARG 79 19.685 16.676 8.560 1.00 0.00 ATOM 544 CA ARG 79 20.609 17.159 7.557 1.00 0.00 ATOM 545 CB ARG 79 19.978 18.206 6.630 1.00 0.00 ATOM 546 CG ARG 79 20.966 18.701 5.596 1.00 0.00 ATOM 547 CD ARG 79 20.340 19.677 4.626 1.00 0.00 ATOM 548 NE ARG 79 19.901 20.926 5.274 1.00 0.00 ATOM 549 CZ ARG 79 18.659 21.420 5.224 1.00 0.00 ATOM 550 NH1 ARG 79 17.687 20.767 4.573 1.00 0.00 ATOM 551 NH2 ARG 79 18.384 22.586 5.815 1.00 0.00 ATOM 552 O ARG 79 21.765 18.767 8.950 1.00 0.00 ATOM 553 C ARG 79 21.842 17.740 8.249 1.00 0.00 ATOM 554 N ILE 80 22.986 17.100 8.015 1.00 0.00 ATOM 555 CA ILE 80 24.274 17.604 8.514 1.00 0.00 ATOM 556 CB ILE 80 25.332 16.511 8.536 1.00 0.00 ATOM 557 CG1 ILE 80 24.916 15.363 9.454 1.00 0.00 ATOM 558 CG2 ILE 80 26.735 17.119 9.045 1.00 0.00 ATOM 559 CD1 ILE 80 25.705 14.063 9.146 1.00 0.00 ATOM 560 O ILE 80 24.954 18.486 6.436 1.00 0.00 ATOM 561 C ILE 80 24.768 18.712 7.618 1.00 0.00 ATOM 562 N GLU 81 24.964 19.927 8.148 1.00 0.00 ATOM 563 CA GLU 81 25.499 20.982 7.318 1.00 0.00 ATOM 564 CB GLU 81 24.658 22.275 7.446 1.00 0.00 ATOM 565 CG GLU 81 23.155 21.975 7.239 1.00 0.00 ATOM 566 CD GLU 81 22.305 23.209 7.048 1.00 0.00 ATOM 567 OE1 GLU 81 22.773 24.355 7.343 1.00 0.00 ATOM 568 OE2 GLU 81 21.126 23.002 6.679 1.00 0.00 ATOM 569 O GLU 81 27.121 21.693 8.900 1.00 0.00 ATOM 570 C GLU 81 26.940 21.272 7.777 1.00 0.00 ATOM 571 N ILE 82 27.914 21.089 6.883 1.00 0.00 ATOM 572 CA ILE 82 29.323 21.391 7.151 1.00 0.00 ATOM 573 CB ILE 82 30.252 20.290 6.552 1.00 0.00 ATOM 574 CG1 ILE 82 29.887 18.910 7.116 1.00 0.00 ATOM 575 CG2 ILE 82 31.715 20.593 6.865 1.00 0.00 ATOM 576 CD1 ILE 82 30.390 17.759 6.264 1.00 0.00 ATOM 577 O ILE 82 29.345 22.965 5.361 1.00 0.00 ATOM 578 C ILE 82 29.606 22.764 6.524 1.00 0.00 ATOM 579 N TYR 83 30.088 23.730 7.311 1.00 0.00 ATOM 580 CA TYR 83 30.305 25.084 6.779 1.00 0.00 ATOM 581 CB TYR 83 29.905 26.138 7.822 1.00 0.00 ATOM 582 CG TYR 83 28.453 25.992 8.127 1.00 0.00 ATOM 583 CD1 TYR 83 28.038 25.465 9.322 1.00 0.00 ATOM 584 CD2 TYR 83 27.493 26.278 7.150 1.00 0.00 ATOM 585 CE1 TYR 83 26.716 25.242 9.564 1.00 0.00 ATOM 586 CE2 TYR 83 26.152 26.059 7.390 1.00 0.00 ATOM 587 CZ TYR 83 25.799 25.528 8.591 1.00 0.00 ATOM 588 OH TYR 83 24.508 25.354 8.835 1.00 0.00 ATOM 589 O TYR 83 32.663 24.761 6.939 1.00 0.00 ATOM 590 C TYR 83 31.756 25.305 6.339 1.00 0.00 ATOM 591 N ARG 84 31.958 26.119 5.305 1.00 0.00 ATOM 592 CA ARG 84 33.316 26.632 5.012 1.00 0.00 ATOM 593 CB ARG 84 33.434 27.040 3.528 1.00 0.00 ATOM 594 CG ARG 84 33.781 25.868 2.630 1.00 0.00 ATOM 595 CD ARG 84 33.355 26.028 1.194 1.00 0.00 ATOM 596 NE ARG 84 34.291 26.818 0.382 1.00 0.00 ATOM 597 CZ ARG 84 35.350 26.350 -0.300 1.00 0.00 ATOM 598 NH1 ARG 84 36.071 27.210 -0.990 1.00 0.00 ATOM 599 NH2 ARG 84 35.703 25.062 -0.308 1.00 0.00 ATOM 600 O ARG 84 32.866 28.700 6.168 1.00 0.00 ATOM 601 C ARG 84 33.672 27.783 5.982 1.00 0.00 ATOM 602 N PRO 85 34.853 27.712 6.649 1.00 0.00 ATOM 603 CA PRO 85 35.310 28.818 7.542 1.00 0.00 ATOM 604 CB PRO 85 36.772 28.453 7.853 1.00 0.00 ATOM 605 CG PRO 85 36.811 26.957 7.727 1.00 0.00 ATOM 606 CD PRO 85 35.827 26.598 6.613 1.00 0.00 ATOM 607 O PRO 85 35.580 30.346 5.696 1.00 0.00 ATOM 608 C PRO 85 35.245 30.209 6.876 1.00 0.00 ATOM 609 N LEU 86 34.808 31.207 7.641 1.00 0.00 ATOM 610 CA LEU 86 34.607 32.585 7.155 1.00 0.00 ATOM 611 CB LEU 86 33.796 33.385 8.186 1.00 0.00 ATOM 612 CG LEU 86 32.474 32.797 8.695 1.00 0.00 ATOM 613 CD1 LEU 86 32.196 33.268 10.129 1.00 0.00 ATOM 614 CD2 LEU 86 31.301 33.118 7.743 1.00 0.00 ATOM 615 O LEU 86 36.976 32.984 7.438 1.00 0.00 ATOM 616 C LEU 86 35.929 33.322 6.865 1.00 0.00 ATOM 617 N LEU 87 35.893 34.345 6.006 1.00 0.00 ATOM 618 CA LEU 87 34.657 34.873 5.409 1.00 0.00 ATOM 619 CB LEU 87 34.573 36.408 5.591 1.00 0.00 ATOM 620 CG LEU 87 34.000 36.944 6.915 1.00 0.00 ATOM 621 CD1 LEU 87 35.080 37.138 7.998 1.00 0.00 ATOM 622 CD2 LEU 87 33.222 38.256 6.683 1.00 0.00 ATOM 623 O LEU 87 34.574 35.321 3.039 1.00 0.00 ATOM 624 C LEU 87 34.522 34.473 3.938 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1832015426.pdb -s /var/tmp/to_scwrl_1832015426.seq -o /var/tmp/from_scwrl_1832015426.pdb > /var/tmp/scwrl_1832015426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832015426.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 64 # 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 = -52.273 # GDT_score(maxd=8.000,maxw=2.900)= -54.705 # GDT_score(maxd=8.000,maxw=3.200)= -51.896 # GDT_score(maxd=8.000,maxw=3.500)= -49.071 # GDT_score(maxd=10.000,maxw=3.800)= -51.443 # GDT_score(maxd=10.000,maxw=4.000)= -49.602 # GDT_score(maxd=10.000,maxw=4.200)= -47.822 # GDT_score(maxd=12.000,maxw=4.300)= -51.116 # GDT_score(maxd=12.000,maxw=4.500)= -49.378 # GDT_score(maxd=12.000,maxw=4.700)= -47.750 # GDT_score(maxd=14.000,maxw=5.200)= -47.352 # GDT_score(maxd=14.000,maxw=5.500)= -45.289 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_642252338.pdb -s /var/tmp/to_scwrl_642252338.seq -o /var/tmp/from_scwrl_642252338.pdb > /var/tmp/scwrl_642252338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_642252338.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 89 # 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 = -38.312 # GDT_score(maxd=8.000,maxw=2.900)= -37.408 # GDT_score(maxd=8.000,maxw=3.200)= -35.337 # GDT_score(maxd=8.000,maxw=3.500)= -33.334 # GDT_score(maxd=10.000,maxw=3.800)= -36.820 # GDT_score(maxd=10.000,maxw=4.000)= -35.499 # GDT_score(maxd=10.000,maxw=4.200)= -34.303 # GDT_score(maxd=12.000,maxw=4.300)= -37.851 # GDT_score(maxd=12.000,maxw=4.500)= -36.630 # GDT_score(maxd=12.000,maxw=4.700)= -35.514 # GDT_score(maxd=14.000,maxw=5.200)= -36.232 # GDT_score(maxd=14.000,maxw=5.500)= -34.741 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_99209462.pdb -s /var/tmp/to_scwrl_99209462.seq -o /var/tmp/from_scwrl_99209462.pdb > /var/tmp/scwrl_99209462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99209462.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 82 # 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 = -54.221 # GDT_score(maxd=8.000,maxw=2.900)= -56.214 # GDT_score(maxd=8.000,maxw=3.200)= -53.448 # GDT_score(maxd=8.000,maxw=3.500)= -50.556 # GDT_score(maxd=10.000,maxw=3.800)= -52.759 # GDT_score(maxd=10.000,maxw=4.000)= -50.891 # GDT_score(maxd=10.000,maxw=4.200)= -49.103 # GDT_score(maxd=12.000,maxw=4.300)= -52.315 # GDT_score(maxd=12.000,maxw=4.500)= -50.573 # GDT_score(maxd=12.000,maxw=4.700)= -48.939 # GDT_score(maxd=14.000,maxw=5.200)= -48.373 # GDT_score(maxd=14.000,maxw=5.500)= -46.233 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_341111034.pdb -s /var/tmp/to_scwrl_341111034.seq -o /var/tmp/from_scwrl_341111034.pdb > /var/tmp/scwrl_341111034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341111034.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 82 # 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 = -54.221 # GDT_score(maxd=8.000,maxw=2.900)= -56.325 # GDT_score(maxd=8.000,maxw=3.200)= -53.567 # GDT_score(maxd=8.000,maxw=3.500)= -50.533 # GDT_score(maxd=10.000,maxw=3.800)= -52.773 # GDT_score(maxd=10.000,maxw=4.000)= -50.799 # GDT_score(maxd=10.000,maxw=4.200)= -48.937 # GDT_score(maxd=12.000,maxw=4.300)= -52.250 # GDT_score(maxd=12.000,maxw=4.500)= -50.447 # GDT_score(maxd=12.000,maxw=4.700)= -48.798 # GDT_score(maxd=14.000,maxw=5.200)= -48.357 # GDT_score(maxd=14.000,maxw=5.500)= -46.343 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_891904122.pdb -s /var/tmp/to_scwrl_891904122.seq -o /var/tmp/from_scwrl_891904122.pdb > /var/tmp/scwrl_891904122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_891904122.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 T0363.try1-opt2.pdb looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -53.247 # GDT_score(maxd=8.000,maxw=2.900)= -55.149 # GDT_score(maxd=8.000,maxw=3.200)= -52.399 # GDT_score(maxd=8.000,maxw=3.500)= -49.452 # GDT_score(maxd=10.000,maxw=3.800)= -51.724 # GDT_score(maxd=10.000,maxw=4.000)= -49.824 # GDT_score(maxd=10.000,maxw=4.200)= -48.029 # GDT_score(maxd=12.000,maxw=4.300)= -51.292 # GDT_score(maxd=12.000,maxw=4.500)= -49.541 # GDT_score(maxd=12.000,maxw=4.700)= -47.930 # GDT_score(maxd=14.000,maxw=5.200)= -47.556 # GDT_score(maxd=14.000,maxw=5.500)= -45.500 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0363.try1-real.pdb for output Error: Couldn't open file T0363.try1-real.pdb for output superimposing iter= 0 total_weight= 932.000 rmsd (weighted)= 10.405 (unweighted)= 34.845 superimposing iter= 1 total_weight= 2162.750 rmsd (weighted)= 4.621 (unweighted)= 33.917 superimposing iter= 2 total_weight= 1544.904 rmsd (weighted)= 2.676 (unweighted)= 33.366 superimposing iter= 3 total_weight= 1051.129 rmsd (weighted)= 2.004 (unweighted)= 33.152 superimposing iter= 4 total_weight= 788.765 rmsd (weighted)= 1.759 (unweighted)= 33.023 superimposing iter= 5 total_weight= 722.838 rmsd (weighted)= 1.620 (unweighted)= 32.934 EXPDTA T0363.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0363.try1-opt2.pdb ATOM 1 N MET A 1 32.828 35.371 30.074 1.00 0.00 ATOM 2 CA MET A 1 33.247 34.117 30.650 1.00 0.00 ATOM 3 CB MET A 1 33.049 34.119 32.159 1.00 0.00 ATOM 4 CG MET A 1 33.364 32.798 32.819 1.00 0.00 ATOM 5 SD MET A 1 33.397 32.951 34.597 1.00 0.00 ATOM 6 CE MET A 1 34.913 33.872 34.810 1.00 0.00 ATOM 7 O MET A 1 31.093 33.106 30.096 1.00 0.00 ATOM 8 C MET A 1 32.329 32.957 30.251 1.00 0.00 ATOM 9 N ALA A 2 32.937 31.770 30.100 1.00 0.00 ATOM 10 CA ALA A 2 32.220 30.575 29.750 1.00 0.00 ATOM 11 CB ALA A 2 33.170 29.416 29.486 1.00 0.00 ATOM 12 O ALA A 2 30.105 29.808 30.587 1.00 0.00 ATOM 13 C ALA A 2 31.271 30.168 30.872 1.00 0.00 ATOM 14 N HIS A 3 31.679 30.272 32.079 1.00 0.00 ATOM 15 CA HIS A 3 30.791 29.996 33.209 1.00 0.00 ATOM 16 CB HIS A 3 31.622 30.055 34.470 1.00 0.00 ATOM 17 CG HIS A 3 30.831 29.839 35.722 1.00 0.00 ATOM 18 CD2 HIS A 3 30.561 28.680 36.374 1.00 0.00 ATOM 19 ND1 HIS A 3 30.240 30.862 36.435 1.00 0.00 ATOM 20 CE1 HIS A 3 29.611 30.339 37.478 1.00 0.00 ATOM 21 NE2 HIS A 3 29.783 29.030 37.457 1.00 0.00 ATOM 22 O HIS A 3 28.418 30.542 33.339 1.00 0.00 ATOM 23 C HIS A 3 29.587 30.958 33.230 1.00 0.00 ATOM 24 N HIS A 4 29.862 32.252 33.059 1.00 0.00 ATOM 25 CA HIS A 4 28.786 33.257 33.025 1.00 0.00 ATOM 26 CB HIS A 4 29.367 34.676 32.936 1.00 0.00 ATOM 27 CG HIS A 4 28.344 35.774 32.876 1.00 0.00 ATOM 28 CD2 HIS A 4 27.610 36.293 31.858 1.00 0.00 ATOM 29 ND1 HIS A 4 27.944 36.449 34.009 1.00 0.00 ATOM 30 CE1 HIS A 4 27.036 37.348 33.689 1.00 0.00 ATOM 31 NE2 HIS A 4 26.790 37.278 32.398 1.00 0.00 ATOM 32 O HIS A 4 26.554 33.042 32.091 1.00 0.00 ATOM 33 C HIS A 4 27.778 32.984 31.885 1.00 0.00 ATOM 34 N HIS A 5 28.306 32.662 30.701 1.00 0.00 ATOM 35 CA HIS A 5 27.456 32.386 29.547 1.00 0.00 ATOM 36 CB HIS A 5 28.317 32.168 28.302 1.00 0.00 ATOM 37 CG HIS A 5 28.934 33.422 27.767 1.00 0.00 ATOM 38 CD2 HIS A 5 30.292 33.920 27.592 1.00 0.00 ATOM 39 ND1 HIS A 5 28.186 34.470 27.277 1.00 0.00 ATOM 40 CE1 HIS A 5 29.014 35.449 26.872 1.00 0.00 ATOM 41 NE2 HIS A 5 30.280 35.125 27.058 1.00 0.00 ATOM 42 O HIS A 5 25.438 31.083 29.486 1.00 0.00 ATOM 43 C HIS A 5 26.634 31.135 29.798 1.00 0.00 ATOM 44 N HIS A 6 27.250 30.128 30.437 1.00 0.00 ATOM 45 CA HIS A 6 26.534 28.926 30.743 1.00 0.00 ATOM 46 CB HIS A 6 27.516 27.899 31.286 1.00 0.00 ATOM 47 CG HIS A 6 26.869 26.669 31.819 1.00 0.00 ATOM 48 CD2 HIS A 6 26.793 26.177 33.080 1.00 0.00 ATOM 49 ND1 HIS A 6 26.204 25.775 31.017 1.00 0.00 ATOM 50 CE1 HIS A 6 25.745 24.779 31.756 1.00 0.00 ATOM 51 NE2 HIS A 6 26.081 25.004 33.013 1.00 0.00 ATOM 52 O HIS A 6 24.296 28.640 31.525 1.00 0.00 ATOM 53 C HIS A 6 25.381 29.167 31.718 1.00 0.00 ATOM 54 N HIS A 7 25.600 29.975 32.735 1.00 0.00 ATOM 55 CA HIS A 7 24.566 30.323 33.701 1.00 0.00 ATOM 56 CB HIS A 7 25.172 31.270 34.743 1.00 0.00 ATOM 57 CG HIS A 7 24.333 31.461 35.970 1.00 0.00 ATOM 58 CD2 HIS A 7 23.755 32.569 36.490 1.00 0.00 ATOM 59 ND1 HIS A 7 24.038 30.432 36.837 1.00 0.00 ATOM 60 CE1 HIS A 7 23.316 30.898 37.841 1.00 0.00 ATOM 61 NE2 HIS A 7 23.130 32.191 37.654 1.00 0.00 ATOM 62 O HIS A 7 22.242 30.803 33.314 1.00 0.00 ATOM 63 C HIS A 7 23.420 31.060 33.031 1.00 0.00 ATOM 64 N HIS A 8 23.754 31.907 32.081 1.00 0.00 ATOM 65 CA HIS A 8 22.727 32.642 31.348 1.00 0.00 ATOM 66 CB HIS A 8 23.368 33.692 30.399 1.00 0.00 ATOM 67 CG HIS A 8 22.368 34.625 29.804 1.00 0.00 ATOM 68 CD2 HIS A 8 21.170 35.049 30.262 1.00 0.00 ATOM 69 ND1 HIS A 8 22.593 35.306 28.627 1.00 0.00 ATOM 70 CE1 HIS A 8 21.565 36.102 28.387 1.00 0.00 ATOM 71 NE2 HIS A 8 20.691 35.970 29.361 1.00 0.00 ATOM 72 O HIS A 8 20.635 31.743 30.517 1.00 0.00 ATOM 73 C HIS A 8 21.876 31.654 30.532 1.00 0.00 ATOM 74 N SER A 9 22.584 30.642 29.834 1.00 0.00 ATOM 75 CA SER A 9 21.906 29.636 29.021 1.00 0.00 ATOM 76 CB SER A 9 22.933 28.746 28.304 1.00 0.00 ATOM 77 OG SER A 9 23.612 27.933 29.223 1.00 0.00 ATOM 78 O SER A 9 19.895 28.379 29.391 1.00 0.00 ATOM 79 C SER A 9 20.972 28.764 29.867 1.00 0.00 ATOM 80 N LEU A 10 21.362 28.438 31.097 1.00 0.00 ATOM 81 CA LEU A 10 20.565 27.638 31.969 1.00 0.00 ATOM 82 CB LEU A 10 21.316 27.315 33.281 1.00 0.00 ATOM 83 CG LEU A 10 22.232 26.094 33.227 1.00 0.00 ATOM 84 CD1 LEU A 10 23.128 26.042 34.464 1.00 0.00 ATOM 85 CD2 LEU A 10 21.369 24.836 33.127 1.00 0.00 ATOM 86 O LEU A 10 18.178 27.862 32.310 1.00 0.00 ATOM 87 C LEU A 10 19.312 28.408 32.376 1.00 0.00 ATOM 88 N ASN A 11 19.458 29.664 32.807 1.00 0.00 ATOM 89 CA ASN A 11 18.303 30.453 33.220 1.00 0.00 ATOM 90 CB ASN A 11 18.756 31.786 33.821 1.00 0.00 ATOM 91 CG ASN A 11 19.398 31.622 35.184 1.00 0.00 ATOM 92 ND2 ASN A 11 20.187 32.610 35.587 1.00 0.00 ATOM 93 OD1 ASN A 11 19.185 30.617 35.864 1.00 0.00 ATOM 94 O ASN A 11 16.156 30.761 32.195 1.00 0.00 ATOM 95 C ASN A 11 17.375 30.723 32.039 1.00 0.00 ATOM 96 N GLN A 12 17.977 30.906 30.858 1.00 0.00 ATOM 97 CA GLN A 12 17.222 31.170 29.648 1.00 0.00 ATOM 98 CB GLN A 12 17.140 32.679 29.404 1.00 0.00 ATOM 99 CG GLN A 12 16.389 33.441 30.483 1.00 0.00 ATOM 100 CD GLN A 12 14.892 33.209 30.426 1.00 0.00 ATOM 101 OE1 GLN A 12 14.295 33.210 29.349 1.00 0.00 ATOM 102 NE2 GLN A 12 14.281 33.008 31.588 1.00 0.00 ATOM 103 O GLN A 12 19.094 30.337 28.393 1.00 0.00 ATOM 104 C GLN A 12 17.885 30.531 28.429 1.00 0.00 ATOM 105 N ILE A 13 17.041 30.224 27.443 1.00 0.00 ATOM 106 CA ILE A 13 17.461 29.632 26.171 1.00 0.00 ATOM 107 CB ILE A 13 16.770 28.276 25.929 1.00 0.00 ATOM 108 CG1 ILE A 13 17.124 27.291 27.046 1.00 0.00 ATOM 109 CG2 ILE A 13 17.216 27.681 24.603 1.00 0.00 ATOM 110 CD1 ILE A 13 16.333 26.002 26.994 1.00 0.00 ATOM 111 O ILE A 13 15.873 30.948 24.944 1.00 0.00 ATOM 112 C ILE A 13 17.060 30.636 25.075 1.00 0.00 ATOM 113 N ASN A 14 18.029 31.153 24.321 1.00 0.00 ATOM 114 CA ASN A 14 17.726 32.116 23.271 1.00 0.00 ATOM 115 CB ASN A 14 18.708 33.287 23.318 1.00 0.00 ATOM 116 CG ASN A 14 18.631 34.061 24.620 1.00 0.00 ATOM 117 ND2 ASN A 14 19.720 34.052 25.378 1.00 0.00 ATOM 118 OD1 ASN A 14 17.602 34.657 24.939 1.00 0.00 ATOM 119 O ASN A 14 18.881 30.834 21.605 1.00 0.00 ATOM 120 C ASN A 14 17.823 31.416 21.935 1.00 0.00 ATOM 121 N ILE A 15 16.738 31.446 21.173 1.00 0.00 ATOM 122 CA ILE A 15 16.707 30.798 19.866 1.00 0.00 ATOM 123 CB ILE A 15 15.558 29.780 19.749 1.00 0.00 ATOM 124 CG1 ILE A 15 14.209 30.469 19.963 1.00 0.00 ATOM 125 CG2 ILE A 15 15.711 28.684 20.792 1.00 0.00 ATOM 126 CD1 ILE A 15 13.018 29.587 19.660 1.00 0.00 ATOM 127 O ILE A 15 15.967 32.952 19.061 1.00 0.00 ATOM 128 C ILE A 15 16.533 31.864 18.804 1.00 0.00 ATOM 129 N GLU A 16 17.011 31.586 17.609 1.00 0.00 ATOM 130 CA GLU A 16 16.867 32.467 16.478 1.00 0.00 ATOM 131 CB GLU A 16 18.171 32.546 15.682 1.00 0.00 ATOM 132 CG GLU A 16 18.097 33.443 14.457 1.00 0.00 ATOM 133 CD GLU A 16 19.403 33.486 13.686 1.00 0.00 ATOM 134 OE1 GLU A 16 20.364 32.810 14.110 1.00 0.00 ATOM 135 OE2 GLU A 16 19.463 34.194 12.658 1.00 0.00 ATOM 136 O GLU A 16 15.931 30.799 15.065 1.00 0.00 ATOM 137 C GLU A 16 15.772 31.894 15.623 1.00 0.00 ATOM 138 N ILE A 17 14.681 32.619 15.469 1.00 0.00 ATOM 139 CA ILE A 17 13.562 32.191 14.644 1.00 0.00 ATOM 140 CB ILE A 17 12.213 32.576 15.277 1.00 0.00 ATOM 141 CG1 ILE A 17 12.101 31.991 16.687 1.00 0.00 ATOM 142 CG2 ILE A 17 11.060 32.043 14.442 1.00 0.00 ATOM 143 CD1 ILE A 17 12.193 30.483 16.731 1.00 0.00 ATOM 144 O ILE A 17 13.752 34.065 13.208 1.00 0.00 ATOM 145 C ILE A 17 13.643 32.840 13.284 1.00 0.00 ATOM 146 N ALA A 18 13.595 32.055 12.223 1.00 0.00 ATOM 147 CA ALA A 18 13.629 32.603 10.864 1.00 0.00 ATOM 148 CB ALA A 18 14.754 31.964 10.064 1.00 0.00 ATOM 149 O ALA A 18 11.921 31.126 10.054 1.00 0.00 ATOM 150 C ALA A 18 12.299 32.301 10.213 1.00 0.00 ATOM 151 N TYR A 19 11.600 33.347 9.803 1.00 0.00 ATOM 152 CA TYR A 19 10.323 33.204 9.102 1.00 0.00 ATOM 153 CB TYR A 19 9.374 34.344 9.479 1.00 0.00 ATOM 154 CG TYR A 19 8.885 34.285 10.908 1.00 0.00 ATOM 155 CD1 TYR A 19 9.505 35.031 11.903 1.00 0.00 ATOM 156 CD2 TYR A 19 7.805 33.486 11.260 1.00 0.00 ATOM 157 CE1 TYR A 19 9.067 34.984 13.212 1.00 0.00 ATOM 158 CE2 TYR A 19 7.351 33.427 12.564 1.00 0.00 ATOM 159 CZ TYR A 19 7.993 34.185 13.542 1.00 0.00 ATOM 160 OH TYR A 19 7.553 34.138 14.844 1.00 0.00 ATOM 161 O TYR A 19 10.951 34.255 7.055 1.00 0.00 ATOM 162 C TYR A 19 10.438 33.268 7.595 1.00 0.00 ATOM 163 N ALA A 20 9.978 32.192 6.920 1.00 0.00 ATOM 164 CA ALA A 20 10.032 32.145 5.477 1.00 0.00 ATOM 165 CB ALA A 20 10.411 30.732 5.057 1.00 0.00 ATOM 166 O ALA A 20 8.648 32.504 3.548 1.00 0.00 ATOM 167 C ALA A 20 8.720 32.475 4.779 1.00 0.00 ATOM 168 N PHE A 21 7.678 32.726 5.550 1.00 0.00 ATOM 169 CA PHE A 21 6.354 33.001 4.959 1.00 0.00 ATOM 170 CB PHE A 21 5.310 33.216 6.057 1.00 0.00 ATOM 171 CG PHE A 21 3.920 33.449 5.537 1.00 0.00 ATOM 172 CD1 PHE A 21 3.144 32.391 5.099 1.00 0.00 ATOM 173 CD2 PHE A 21 3.391 34.727 5.486 1.00 0.00 ATOM 174 CE1 PHE A 21 1.866 32.606 4.619 1.00 0.00 ATOM 175 CE2 PHE A 21 2.113 34.941 5.006 1.00 0.00 ATOM 176 CZ PHE A 21 1.351 33.887 4.575 1.00 0.00 ATOM 177 O PHE A 21 7.130 35.218 4.514 1.00 0.00 ATOM 178 C PHE A 21 6.474 34.251 4.097 1.00 0.00 ATOM 179 N PRO A 22 5.904 34.251 2.901 1.00 0.00 ATOM 180 CA PRO A 22 6.078 35.391 1.997 1.00 0.00 ATOM 181 CB PRO A 22 5.244 35.024 0.778 1.00 0.00 ATOM 182 CG PRO A 22 5.227 33.563 0.804 1.00 0.00 ATOM 183 CD PRO A 22 5.069 33.223 2.254 1.00 0.00 ATOM 184 O PRO A 22 6.309 37.775 2.247 1.00 0.00 ATOM 185 C PRO A 22 5.733 36.744 2.619 1.00 0.00 ATOM 186 N GLU A 23 4.801 36.821 3.551 1.00 0.00 ATOM 187 CA GLU A 23 4.398 38.063 4.201 1.00 0.00 ATOM 188 CB GLU A 23 2.952 38.037 4.701 1.00 0.00 ATOM 189 CG GLU A 23 1.913 37.957 3.594 1.00 0.00 ATOM 190 CD GLU A 23 0.494 37.969 4.126 1.00 0.00 ATOM 191 OE1 GLU A 23 0.322 37.997 5.362 1.00 0.00 ATOM 192 OE2 GLU A 23 -0.448 37.948 3.304 1.00 0.00 ATOM 193 O GLU A 23 5.595 37.527 6.193 1.00 0.00 ATOM 194 C GLU A 23 5.252 38.382 5.397 1.00 0.00 ATOM 195 N ARG A 24 5.756 39.839 5.907 1.00 0.00 ATOM 196 CA ARG A 24 6.327 40.321 7.168 1.00 0.00 ATOM 197 CB ARG A 24 5.531 39.571 8.403 1.00 0.00 ATOM 198 CG ARG A 24 4.126 39.007 8.125 1.00 0.00 ATOM 199 CD ARG A 24 3.813 37.821 9.030 1.00 0.00 ATOM 200 NE ARG A 24 4.594 36.642 8.658 1.00 0.00 ATOM 201 CZ ARG A 24 4.585 35.494 9.330 1.00 0.00 ATOM 202 NH1 ARG A 24 3.838 35.355 10.418 1.00 0.00 ATOM 203 NH2 ARG A 24 5.335 34.485 8.917 1.00 0.00 ATOM 204 O ARG A 24 8.338 40.314 8.468 1.00 0.00 ATOM 205 C ARG A 24 7.791 39.978 7.404 1.00 0.00 ATOM 206 N TYR A 25 8.569 40.551 10.547 1.00 0.00 ATOM 207 CA TYR A 25 10.039 40.514 10.474 1.00 0.00 ATOM 208 CB TYR A 25 10.646 40.551 11.878 1.00 0.00 ATOM 209 CG TYR A 25 10.473 41.876 12.585 1.00 0.00 ATOM 210 CD1 TYR A 25 9.567 42.013 13.630 1.00 0.00 ATOM 211 CD2 TYR A 25 11.218 42.986 12.207 1.00 0.00 ATOM 212 CE1 TYR A 25 9.402 43.220 14.281 1.00 0.00 ATOM 213 CE2 TYR A 25 11.067 44.202 12.847 1.00 0.00 ATOM 214 CZ TYR A 25 10.149 44.311 13.892 1.00 0.00 ATOM 215 OH TYR A 25 9.988 45.514 14.540 1.00 0.00 ATOM 216 O TYR A 25 9.974 38.120 10.189 1.00 0.00 ATOM 217 C TYR A 25 10.537 39.202 9.908 1.00 0.00 ATOM 218 N TYR A 26 11.630 39.259 9.167 1.00 0.00 ATOM 219 CA TYR A 26 12.215 38.065 8.601 1.00 0.00 ATOM 220 CB TYR A 26 13.386 38.427 7.685 1.00 0.00 ATOM 221 CG TYR A 26 12.776 39.158 6.487 1.00 0.00 ATOM 222 CD1 TYR A 26 12.748 40.528 6.421 1.00 0.00 ATOM 223 CD2 TYR A 26 12.201 38.402 5.451 1.00 0.00 ATOM 224 CE1 TYR A 26 12.156 41.155 5.335 1.00 0.00 ATOM 225 CE2 TYR A 26 11.618 39.013 4.357 1.00 0.00 ATOM 226 CZ TYR A 26 11.608 40.399 4.312 1.00 0.00 ATOM 227 OH TYR A 26 11.026 41.060 3.239 1.00 0.00 ATOM 228 O TYR A 26 12.796 35.880 9.406 1.00 0.00 ATOM 229 C TYR A 26 12.777 37.090 9.623 1.00 0.00 ATOM 230 N LEU A 27 13.196 37.613 10.775 1.00 0.00 ATOM 231 CA LEU A 27 13.783 36.802 11.832 1.00 0.00 ATOM 232 CB LEU A 27 15.264 36.543 11.547 1.00 0.00 ATOM 233 CG LEU A 27 16.156 37.780 11.420 1.00 0.00 ATOM 234 CD1 LEU A 27 16.642 38.236 12.788 1.00 0.00 ATOM 235 CD2 LEU A 27 17.373 37.478 10.560 1.00 0.00 ATOM 236 O LEU A 27 13.587 38.765 13.177 1.00 0.00 ATOM 237 C LEU A 27 13.679 37.532 13.139 1.00 0.00 ATOM 238 N LYS A 28 13.696 36.775 14.229 1.00 0.00 ATOM 239 CA LYS A 28 13.635 37.351 15.556 1.00 0.00 ATOM 240 CB LYS A 28 12.177 37.604 15.943 1.00 0.00 ATOM 241 CG LYS A 28 12.003 38.343 17.260 1.00 0.00 ATOM 242 CD LYS A 28 10.536 38.625 17.545 1.00 0.00 ATOM 243 CE LYS A 28 10.368 39.439 18.818 1.00 0.00 ATOM 244 NZ LYS A 28 8.935 39.695 19.128 1.00 0.00 ATOM 245 O LYS A 28 14.102 35.197 16.458 1.00 0.00 ATOM 246 C LYS A 28 14.224 36.422 16.581 1.00 0.00 ATOM 247 N SER A 29 14.882 36.989 17.571 1.00 0.00 ATOM 248 CA SER A 29 15.398 36.244 18.693 1.00 0.00 ATOM 249 CB SER A 29 16.612 36.957 19.292 1.00 0.00 ATOM 250 OG SER A 29 17.067 36.296 20.459 1.00 0.00 ATOM 251 O SER A 29 13.747 37.120 20.174 1.00 0.00 ATOM 252 C SER A 29 14.346 36.108 19.750 1.00 0.00 ATOM 253 N PHE A 30 14.129 34.898 20.232 1.00 0.00 ATOM 254 CA PHE A 30 13.137 34.657 21.251 1.00 0.00 ATOM 255 CB PHE A 30 12.238 33.503 20.788 1.00 0.00 ATOM 256 CG PHE A 30 11.224 34.044 19.804 1.00 0.00 ATOM 257 CD1 PHE A 30 11.513 34.020 18.422 1.00 0.00 ATOM 258 CD2 PHE A 30 10.065 34.635 20.301 1.00 0.00 ATOM 259 CE1 PHE A 30 10.611 34.620 17.568 1.00 0.00 ATOM 260 CE2 PHE A 30 9.124 35.202 19.393 1.00 0.00 ATOM 261 CZ PHE A 30 9.452 35.209 18.013 1.00 0.00 ATOM 262 O PHE A 30 14.438 32.944 22.353 1.00 0.00 ATOM 263 C PHE A 30 13.808 34.017 22.454 1.00 0.00 ATOM 264 N GLN A 31 13.725 34.696 23.586 1.00 0.00 ATOM 265 CA GLN A 31 14.238 34.186 24.851 1.00 0.00 ATOM 266 CB GLN A 31 14.693 35.335 25.761 1.00 0.00 ATOM 267 CG GLN A 31 15.037 34.898 27.178 1.00 0.00 ATOM 268 CD GLN A 31 15.421 36.056 28.074 1.00 0.00 ATOM 269 OE1 GLN A 31 14.721 37.068 28.133 1.00 0.00 ATOM 270 NE2 GLN A 31 16.532 35.910 28.790 1.00 0.00 ATOM 271 O GLN A 31 12.004 33.836 25.673 1.00 0.00 ATOM 272 C GLN A 31 13.136 33.368 25.521 1.00 0.00 ATOM 273 N VAL A 32 13.476 32.138 25.897 1.00 0.00 ATOM 274 CA VAL A 32 12.541 31.195 26.470 1.00 0.00 ATOM 275 CB VAL A 32 12.349 29.971 25.556 1.00 0.00 ATOM 276 CG1 VAL A 32 11.752 30.391 24.221 1.00 0.00 ATOM 277 CG2 VAL A 32 13.683 29.289 25.294 1.00 0.00 ATOM 278 O VAL A 32 14.267 30.751 28.036 1.00 0.00 ATOM 279 C VAL A 32 13.066 30.728 27.815 1.00 0.00 ATOM 280 N ASP A 33 12.186 30.312 28.730 1.00 0.00 ATOM 281 CA ASP A 33 12.636 29.799 30.022 1.00 0.00 ATOM 282 CB ASP A 33 11.443 29.560 30.950 1.00 0.00 ATOM 283 CG ASP A 33 10.839 30.854 31.466 1.00 0.00 ATOM 284 OD1 ASP A 33 11.462 31.919 31.272 1.00 0.00 ATOM 285 OD2 ASP A 33 9.744 30.800 32.062 1.00 0.00 ATOM 286 O ASP A 33 13.237 27.761 28.889 1.00 0.00 ATOM 287 C ASP A 33 13.394 28.489 29.876 1.00 0.00 ATOM 288 N GLU A 34 14.228 28.212 30.867 1.00 0.00 ATOM 289 CA GLU A 34 14.906 26.942 30.997 1.00 0.00 ATOM 290 CB GLU A 34 15.497 26.796 32.402 1.00 0.00 ATOM 291 CG GLU A 34 16.251 25.496 32.626 1.00 0.00 ATOM 292 CD GLU A 34 16.826 25.390 34.024 1.00 0.00 ATOM 293 OE1 GLU A 34 16.721 26.375 34.786 1.00 0.00 ATOM 294 OE2 GLU A 34 17.381 24.322 34.360 1.00 0.00 ATOM 295 O GLU A 34 12.841 25.798 31.449 1.00 0.00 ATOM 296 C GLU A 34 13.921 25.786 30.859 1.00 0.00 ATOM 297 N GLY A 35 14.212 24.744 29.985 1.00 0.00 ATOM 298 CA GLY A 35 13.386 23.564 29.790 1.00 0.00 ATOM 299 O GLY A 35 11.335 23.070 28.756 1.00 0.00 ATOM 300 C GLY A 35 12.312 23.827 28.768 1.00 0.00 ATOM 301 N ILE A 36 12.531 24.807 27.866 1.00 0.00 ATOM 302 CA ILE A 36 11.545 25.082 26.853 1.00 0.00 ATOM 303 CB ILE A 36 11.114 26.249 26.420 1.00 0.00 ATOM 304 CG1 ILE A 36 9.881 26.581 27.294 1.00 0.00 ATOM 305 CG2 ILE A 36 10.650 26.185 24.964 1.00 0.00 ATOM 306 CD1 ILE A 36 9.996 27.873 27.986 1.00 0.00 ATOM 307 O ILE A 36 12.701 23.534 25.434 1.00 0.00 ATOM 308 C ILE A 36 11.616 24.016 25.801 1.00 0.00 ATOM 309 N THR A 37 10.432 23.683 25.291 1.00 0.00 ATOM 310 CA THR A 37 10.265 22.704 24.235 1.00 0.00 ATOM 311 CB THR A 37 9.252 21.613 24.631 1.00 0.00 ATOM 312 CG2 THR A 37 9.667 20.950 25.936 1.00 0.00 ATOM 313 OG1 THR A 37 7.956 22.200 24.801 1.00 0.00 ATOM 314 O THR A 37 9.450 24.560 22.952 1.00 0.00 ATOM 315 C THR A 37 9.762 23.371 22.958 1.00 0.00 ATOM 316 N VAL A 38 9.643 22.611 21.873 1.00 0.00 ATOM 317 CA VAL A 38 9.156 23.151 20.614 1.00 0.00 ATOM 318 CB VAL A 38 9.171 22.119 19.516 1.00 0.00 ATOM 319 CG1 VAL A 38 8.465 22.617 18.272 1.00 0.00 ATOM 320 CG2 VAL A 38 10.643 21.815 19.239 1.00 0.00 ATOM 321 O VAL A 38 7.413 24.776 20.254 1.00 0.00 ATOM 322 C VAL A 38 7.739 23.704 20.779 1.00 0.00 ATOM 323 N GLN A 39 6.882 22.960 21.514 1.00 0.00 ATOM 324 CA GLN A 39 5.490 23.395 21.680 1.00 0.00 ATOM 325 CB GLN A 39 4.687 22.394 22.513 1.00 0.00 ATOM 326 CG GLN A 39 3.204 22.715 22.608 1.00 0.00 ATOM 327 CD GLN A 39 2.513 22.681 21.260 1.00 0.00 ATOM 328 OE1 GLN A 39 2.719 21.761 20.469 1.00 0.00 ATOM 329 NE2 GLN A 39 1.685 23.686 20.994 1.00 0.00 ATOM 330 O GLN A 39 4.606 25.628 22.021 1.00 0.00 ATOM 331 C GLN A 39 5.440 24.780 22.377 1.00 0.00 ATOM 332 N THR A 40 6.337 25.005 23.345 1.00 0.00 ATOM 333 CA THR A 40 6.367 26.305 24.052 1.00 0.00 ATOM 334 CB THR A 40 7.352 26.251 25.226 1.00 0.00 ATOM 335 CG2 THR A 40 7.311 27.565 26.018 1.00 0.00 ATOM 336 OG1 THR A 40 6.989 25.175 26.100 1.00 0.00 ATOM 337 O THR A 40 6.175 28.496 23.162 1.00 0.00 ATOM 338 C THR A 40 6.756 27.404 23.111 1.00 0.00 ATOM 339 N ALA A 41 7.713 27.135 22.238 1.00 0.00 ATOM 340 CA ALA A 41 8.097 28.123 21.230 1.00 0.00 ATOM 341 CB ALA A 41 9.249 27.600 20.384 1.00 0.00 ATOM 342 O ALA A 41 6.728 29.649 19.970 1.00 0.00 ATOM 343 C ALA A 41 6.944 28.463 20.279 1.00 0.00 ATOM 344 N ILE A 42 6.179 27.454 19.861 1.00 0.00 ATOM 345 CA ILE A 42 5.028 27.702 19.003 1.00 0.00 ATOM 346 CB ILE A 42 4.336 26.359 18.621 1.00 0.00 ATOM 347 CG1 ILE A 42 5.267 25.529 17.732 1.00 0.00 ATOM 348 CG2 ILE A 42 3.012 26.627 17.914 1.00 0.00 ATOM 349 CD1 ILE A 42 5.669 26.233 16.443 1.00 0.00 ATOM 350 O ILE A 42 3.453 29.518 19.056 1.00 0.00 ATOM 351 C ILE A 42 4.006 28.613 19.683 1.00 0.00 ATOM 352 N THR A 43 3.767 28.377 20.971 1.00 0.00 ATOM 353 CA THR A 43 2.830 29.183 21.750 1.00 0.00 ATOM 354 CB THR A 43 2.667 28.539 23.130 1.00 0.00 ATOM 355 CG2 THR A 43 1.624 29.268 23.956 1.00 0.00 ATOM 356 OG1 THR A 43 2.103 27.244 22.933 1.00 0.00 ATOM 357 O THR A 43 2.523 31.562 21.730 1.00 0.00 ATOM 358 C THR A 43 3.319 30.621 21.830 1.00 0.00 ATOM 359 N GLN A 44 4.618 30.771 22.017 1.00 0.00 ATOM 360 CA GLN A 44 5.208 32.102 22.095 1.00 0.00 ATOM 361 CB GLN A 44 6.668 32.029 22.522 1.00 0.00 ATOM 362 CG GLN A 44 7.231 33.391 22.896 1.00 0.00 ATOM 363 CD GLN A 44 6.436 34.054 24.010 1.00 0.00 ATOM 364 OE1 GLN A 44 6.224 33.463 25.070 1.00 0.00 ATOM 365 NE2 GLN A 44 5.994 35.287 23.772 1.00 0.00 ATOM 366 O GLN A 44 4.883 34.043 20.744 1.00 0.00 ATOM 367 C GLN A 44 5.125 32.831 20.754 1.00 0.00 ATOM 368 N SER A 45 5.307 32.123 19.623 1.00 0.00 ATOM 369 CA SER A 45 5.147 32.759 18.308 1.00 0.00 ATOM 370 CB SER A 45 5.408 31.749 17.189 1.00 0.00 ATOM 371 OG SER A 45 6.762 31.332 17.183 1.00 0.00 ATOM 372 O SER A 45 3.467 34.423 17.712 1.00 0.00 ATOM 373 C SER A 45 3.722 33.291 18.163 1.00 0.00 ATOM 374 N GLY A 46 2.740 32.499 18.628 1.00 0.00 ATOM 375 CA GLY A 46 1.356 32.894 18.545 1.00 0.00 ATOM 376 O GLY A 46 0.270 34.904 19.304 1.00 0.00 ATOM 377 C GLY A 46 1.048 33.988 19.561 1.00 0.00 ATOM 378 N ILE A 47 1.656 33.858 20.726 1.00 0.00 ATOM 379 CA ILE A 47 1.513 34.852 21.766 1.00 0.00 ATOM 380 CB ILE A 47 2.158 34.334 23.103 1.00 0.00 ATOM 381 CG1 ILE A 47 1.424 33.089 23.604 1.00 0.00 ATOM 382 CG2 ILE A 47 2.129 35.425 24.172 1.00 0.00 ATOM 383 CD1 ILE A 47 1.992 32.513 24.883 1.00 0.00 ATOM 384 O ILE A 47 1.631 37.227 21.823 1.00 0.00 ATOM 385 C ILE A 47 2.124 36.181 21.355 1.00 0.00 ATOM 386 N LEU A 48 3.171 36.198 20.512 1.00 0.00 ATOM 387 CA LEU A 48 3.684 37.463 19.995 1.00 0.00 ATOM 388 CB LEU A 48 5.177 37.299 19.672 1.00 0.00 ATOM 389 CG LEU A 48 6.114 37.081 20.847 1.00 0.00 ATOM 390 CD1 LEU A 48 7.571 36.967 20.428 1.00 0.00 ATOM 391 CD2 LEU A 48 6.006 38.270 21.803 1.00 0.00 ATOM 392 O LEU A 48 3.370 38.836 18.043 1.00 0.00 ATOM 393 C LEU A 48 2.932 37.914 18.753 1.00 0.00 ATOM 394 N SER A 49 2.013 37.150 18.265 1.00 0.00 ATOM 395 CA SER A 49 1.147 37.446 17.119 1.00 0.00 ATOM 396 CB SER A 49 0.343 38.724 17.343 1.00 0.00 ATOM 397 OG SER A 49 -0.614 38.453 18.384 1.00 0.00 ATOM 398 O SER A 49 1.731 38.353 14.979 1.00 0.00 ATOM 399 C SER A 49 2.017 37.536 15.866 1.00 0.00 ATOM 400 N GLN A 50 2.078 35.990 15.426 1.00 0.00 ATOM 401 CA GLN A 50 1.984 35.575 14.008 1.00 0.00 ATOM 402 CB GLN A 50 3.336 35.741 13.311 1.00 0.00 ATOM 403 CG GLN A 50 3.748 37.187 13.089 1.00 0.00 ATOM 404 CD GLN A 50 5.108 37.311 12.433 1.00 0.00 ATOM 405 OE1 GLN A 50 5.739 36.309 12.095 1.00 0.00 ATOM 406 NE2 GLN A 50 5.565 38.545 12.250 1.00 0.00 ATOM 407 O GLN A 50 0.786 33.794 12.978 1.00 0.00 ATOM 408 C GLN A 50 1.468 34.160 13.951 1.00 0.00 ATOM 409 N PHE A 51 1.735 33.296 14.923 1.00 0.00 ATOM 410 CA PHE A 51 1.239 31.927 14.904 1.00 0.00 ATOM 411 CB PHE A 51 2.481 30.998 15.514 1.00 0.00 ATOM 412 CG PHE A 51 2.003 29.558 15.486 1.00 0.00 ATOM 413 CD1 PHE A 51 2.013 28.861 14.293 1.00 0.00 ATOM 414 CD2 PHE A 51 1.564 28.942 16.641 1.00 0.00 ATOM 415 CE1 PHE A 51 1.527 27.564 14.248 1.00 0.00 ATOM 416 CE2 PHE A 51 1.066 27.648 16.585 1.00 0.00 ATOM 417 CZ PHE A 51 1.067 26.958 15.389 1.00 0.00 ATOM 418 O PHE A 51 -0.811 30.677 14.894 1.00 0.00 ATOM 419 C PHE A 51 -0.270 31.774 15.090 1.00 0.00 ATOM 420 N PRO A 52 -1.241 32.747 15.581 1.00 0.00 ATOM 421 CA PRO A 52 -2.676 32.552 15.829 1.00 0.00 ATOM 422 CB PRO A 52 -3.134 33.858 16.431 1.00 0.00 ATOM 423 CG PRO A 52 -1.907 34.385 17.086 1.00 0.00 ATOM 424 CD PRO A 52 -0.842 34.093 16.070 1.00 0.00 ATOM 425 O PRO A 52 -4.333 31.408 14.498 1.00 0.00 ATOM 426 C PRO A 52 -3.380 32.195 14.510 1.00 0.00 ATOM 427 N GLU A 53 -2.924 32.750 13.392 1.00 0.00 ATOM 428 CA GLU A 53 -3.531 32.471 12.092 1.00 0.00 ATOM 429 CB GLU A 53 -3.211 33.667 11.193 1.00 0.00 ATOM 430 CG GLU A 53 -3.842 34.972 11.648 1.00 0.00 ATOM 431 CD GLU A 53 -3.465 36.142 10.762 1.00 0.00 ATOM 432 OE1 GLU A 53 -2.688 35.937 9.806 1.00 0.00 ATOM 433 OE2 GLU A 53 -3.946 37.266 11.024 1.00 0.00 ATOM 434 O GLU A 53 -3.495 30.846 10.284 1.00 0.00 ATOM 435 C GLU A 53 -3.020 31.198 11.383 1.00 0.00 ATOM 436 N ILE A 54 -2.067 30.508 12.005 1.00 0.00 ATOM 437 CA ILE A 54 -1.473 29.307 11.435 1.00 0.00 ATOM 438 CB ILE A 54 0.029 29.225 11.782 1.00 0.00 ATOM 439 CG1 ILE A 54 0.767 30.412 11.159 1.00 0.00 ATOM 440 CG2 ILE A 54 0.611 27.899 11.282 1.00 0.00 ATOM 441 CD1 ILE A 54 2.196 30.574 11.650 1.00 0.00 ATOM 442 O ILE A 54 -2.414 27.949 13.178 1.00 0.00 ATOM 443 C ILE A 54 -2.189 28.080 11.973 1.00 0.00 ATOM 444 N ASP A 55 -2.538 27.160 11.103 1.00 0.00 ATOM 445 CA ASP A 55 -3.255 25.941 11.491 1.00 0.00 ATOM 446 CB ASP A 55 -4.398 25.640 10.506 1.00 0.00 ATOM 447 CG ASP A 55 -5.421 26.752 10.440 1.00 0.00 ATOM 448 OD1 ASP A 55 -5.854 27.226 11.510 1.00 0.00 ATOM 449 OD2 ASP A 55 -5.788 27.170 9.318 1.00 0.00 ATOM 450 O ASP A 55 -1.081 24.983 11.185 1.00 0.00 ATOM 451 C ASP A 55 -2.264 24.787 11.466 1.00 0.00 ATOM 452 N LEU A 56 -2.760 23.577 11.689 1.00 0.00 ATOM 453 CA LEU A 56 -1.912 22.390 11.697 1.00 0.00 ATOM 454 CB LEU A 56 -2.778 21.136 11.845 1.00 0.00 ATOM 455 CG LEU A 56 -2.067 19.795 11.620 1.00 0.00 ATOM 456 CD1 LEU A 56 -1.044 19.549 12.704 1.00 0.00 ATOM 457 CD2 LEU A 56 -3.092 18.676 11.590 1.00 0.00 ATOM 458 O LEU A 56 0.193 22.027 10.563 1.00 0.00 ATOM 459 C LEU A 56 -1.024 22.254 10.453 1.00 0.00 ATOM 460 N SER A 57 -1.616 22.418 9.269 1.00 0.00 ATOM 461 CA SER A 57 -0.853 22.256 8.032 1.00 0.00 ATOM 462 CB SER A 57 -1.702 21.516 6.998 1.00 0.00 ATOM 463 OG SER A 57 -2.790 22.326 6.583 1.00 0.00 ATOM 464 O SER A 57 0.430 23.502 6.456 1.00 0.00 ATOM 465 C SER A 57 -0.313 23.545 7.434 1.00 0.00 ATOM 466 N THR A 58 -0.625 24.681 8.033 1.00 0.00 ATOM 467 CA THR A 58 -0.191 25.951 7.464 1.00 0.00 ATOM 468 CB THR A 58 -0.921 27.132 8.131 1.00 0.00 ATOM 469 CG2 THR A 58 -0.459 28.451 7.530 1.00 0.00 ATOM 470 OG1 THR A 58 -2.334 27.000 7.931 1.00 0.00 ATOM 471 O THR A 58 1.920 26.846 6.773 1.00 0.00 ATOM 472 C THR A 58 1.308 26.185 7.621 1.00 0.00 ATOM 473 N ASN A 59 1.880 25.674 8.722 1.00 0.00 ATOM 474 CA ASN A 59 3.246 25.980 9.103 1.00 0.00 ATOM 475 CB ASN A 59 3.314 27.015 10.247 1.00 0.00 ATOM 476 CG ASN A 59 4.737 27.541 10.490 1.00 0.00 ATOM 477 ND2 ASN A 59 5.307 27.210 11.644 1.00 0.00 ATOM 478 OD1 ASN A 59 5.307 28.243 9.654 1.00 0.00 ATOM 479 O ASN A 59 3.381 23.897 10.240 1.00 0.00 ATOM 480 C ASN A 59 3.938 24.687 9.481 1.00 0.00 ATOM 481 N LYS A 60 5.184 24.541 9.040 1.00 0.00 ATOM 482 CA LYS A 60 6.084 23.539 9.590 1.00 0.00 ATOM 483 CB LYS A 60 6.521 22.562 8.497 1.00 0.00 ATOM 484 CG LYS A 60 5.391 21.713 7.936 1.00 0.00 ATOM 485 CD LYS A 60 5.897 20.756 6.869 1.00 0.00 ATOM 486 CE LYS A 60 4.772 19.888 6.329 1.00 0.00 ATOM 487 NZ LYS A 60 5.256 18.932 5.295 1.00 0.00 ATOM 488 O LYS A 60 7.453 25.472 9.974 1.00 0.00 ATOM 489 C LYS A 60 7.270 24.256 10.182 1.00 0.00 ATOM 490 N ILE A 61 7.989 23.553 11.053 1.00 0.00 ATOM 491 CA ILE A 61 9.191 24.144 11.674 1.00 0.00 ATOM 492 CB ILE A 61 8.972 24.456 13.147 1.00 0.00 ATOM 493 CG1 ILE A 61 8.560 23.277 13.995 1.00 0.00 ATOM 494 CG2 ILE A 61 7.951 25.511 13.173 1.00 0.00 ATOM 495 CD1 ILE A 61 8.675 23.655 15.411 1.00 0.00 ATOM 496 O ILE A 61 10.128 21.946 11.481 1.00 0.00 ATOM 497 C ILE A 61 10.339 23.167 11.609 1.00 0.00 ATOM 498 N GLY A 62 11.551 23.684 11.623 1.00 0.00 ATOM 499 CA GLY A 62 12.736 22.849 11.702 1.00 0.00 ATOM 500 O GLY A 62 13.855 24.697 12.743 1.00 0.00 ATOM 501 C GLY A 62 13.697 23.463 12.674 1.00 0.00 ATOM 502 N ILE A 63 14.377 22.619 13.431 1.00 0.00 ATOM 503 CA ILE A 63 15.392 23.064 14.375 1.00 0.00 ATOM 504 CB ILE A 63 15.129 22.363 15.715 1.00 0.00 ATOM 505 CG1 ILE A 63 13.733 22.733 16.237 1.00 0.00 ATOM 506 CG2 ILE A 63 16.189 22.749 16.734 1.00 0.00 ATOM 507 CD1 ILE A 63 13.471 24.214 16.413 1.00 0.00 ATOM 508 O ILE A 63 16.951 21.326 13.649 1.00 0.00 ATOM 509 C ILE A 63 16.730 22.528 13.854 1.00 0.00 ATOM 510 N PHE A 64 17.599 23.680 13.585 1.00 0.00 ATOM 511 CA PHE A 64 18.885 23.448 12.947 1.00 0.00 ATOM 512 CB PHE A 64 20.014 23.249 14.102 1.00 0.00 ATOM 513 CG PHE A 64 19.894 21.839 14.658 1.00 0.00 ATOM 514 CD1 PHE A 64 18.877 21.517 15.538 1.00 0.00 ATOM 515 CD2 PHE A 64 20.810 20.859 14.313 1.00 0.00 ATOM 516 CE1 PHE A 64 18.749 20.243 16.060 1.00 0.00 ATOM 517 CE2 PHE A 64 20.689 19.575 14.839 1.00 0.00 ATOM 518 CZ PHE A 64 19.652 19.267 15.682 1.00 0.00 ATOM 519 O PHE A 64 19.494 21.509 11.614 1.00 0.00 ATOM 520 C PHE A 64 18.742 22.494 11.753 1.00 0.00 ATOM 521 N SER A 65 17.779 22.793 10.891 1.00 0.00 ATOM 522 CA SER A 65 17.605 22.055 9.659 1.00 0.00 ATOM 523 CB SER A 65 19.270 22.527 9.049 1.00 0.00 ATOM 524 OG SER A 65 19.877 21.244 9.055 1.00 0.00 ATOM 525 O SER A 65 16.716 20.084 8.730 1.00 0.00 ATOM 526 C SER A 65 16.880 20.737 9.761 1.00 0.00 ATOM 527 N ARG A 66 16.439 20.338 10.959 1.00 0.00 ATOM 528 CA ARG A 66 15.809 19.025 11.147 1.00 0.00 ATOM 529 CB ARG A 66 16.240 18.642 12.533 1.00 0.00 ATOM 530 CG ARG A 66 17.645 18.061 12.456 1.00 0.00 ATOM 531 CD ARG A 66 18.094 17.554 13.815 1.00 0.00 ATOM 532 NE ARG A 66 17.320 16.397 14.255 1.00 0.00 ATOM 533 CZ ARG A 66 17.366 15.897 15.486 1.00 0.00 ATOM 534 NH1 ARG A 66 18.144 16.459 16.402 1.00 0.00 ATOM 535 NH2 ARG A 66 16.644 14.829 15.801 1.00 0.00 ATOM 536 O ARG A 66 14.013 19.923 12.439 1.00 0.00 ATOM 537 C ARG A 66 14.367 19.075 11.612 1.00 0.00 ATOM 538 N PRO A 67 13.514 18.212 11.085 1.00 0.00 ATOM 539 CA PRO A 67 12.177 18.054 11.629 1.00 0.00 ATOM 540 CB PRO A 67 11.451 17.206 10.583 1.00 0.00 ATOM 541 CG PRO A 67 12.535 16.446 9.898 1.00 0.00 ATOM 542 CD PRO A 67 13.738 17.347 9.892 1.00 0.00 ATOM 543 O PRO A 67 13.082 16.386 13.144 1.00 0.00 ATOM 544 C PRO A 67 12.291 17.354 12.974 1.00 0.00 ATOM 545 N ILE A 68 11.526 17.858 13.937 1.00 0.00 ATOM 546 CA ILE A 68 11.563 17.335 15.302 1.00 0.00 ATOM 547 CB ILE A 68 12.348 18.249 16.214 1.00 0.00 ATOM 548 CG1 ILE A 68 11.720 19.650 16.331 1.00 0.00 ATOM 549 CG2 ILE A 68 13.804 18.309 15.660 1.00 0.00 ATOM 550 CD1 ILE A 68 12.386 20.606 17.294 1.00 0.00 ATOM 551 O ILE A 68 9.196 17.824 15.331 1.00 0.00 ATOM 552 C ILE A 68 10.158 17.285 15.898 1.00 0.00 ATOM 553 N LYS A 69 10.053 16.644 17.065 1.00 0.00 ATOM 554 CA LYS A 69 8.780 16.561 17.751 1.00 0.00 ATOM 555 CB LYS A 69 8.796 15.425 18.777 1.00 0.00 ATOM 556 CG LYS A 69 8.864 14.036 18.163 1.00 0.00 ATOM 557 CD LYS A 69 8.904 12.961 19.237 1.00 0.00 ATOM 558 CE LYS A 69 8.947 11.570 18.624 1.00 0.00 ATOM 559 NZ LYS A 69 9.013 10.506 19.664 1.00 0.00 ATOM 560 O LYS A 69 9.378 18.640 18.783 1.00 0.00 ATOM 561 C LYS A 69 8.510 17.815 18.562 1.00 0.00 ATOM 562 N LEU A 70 7.286 18.047 18.918 1.00 0.00 ATOM 563 CA LEU A 70 6.828 19.212 19.658 1.00 0.00 ATOM 564 CB LEU A 70 5.320 19.331 19.841 1.00 0.00 ATOM 565 CG LEU A 70 4.591 19.553 18.510 1.00 0.00 ATOM 566 CD1 LEU A 70 3.080 19.299 18.556 1.00 0.00 ATOM 567 CD2 LEU A 70 4.832 20.952 18.096 1.00 0.00 ATOM 568 O LEU A 70 7.514 20.242 21.685 1.00 0.00 ATOM 569 C LEU A 70 7.423 19.209 21.052 1.00 0.00 ATOM 570 N THR A 71 7.864 18.055 21.531 1.00 0.00 ATOM 571 CA THR A 71 8.438 17.988 22.862 1.00 0.00 ATOM 572 CB THR A 71 8.031 16.698 23.597 1.00 0.00 ATOM 573 CG2 THR A 71 6.520 16.632 23.760 1.00 0.00 ATOM 574 OG1 THR A 71 8.467 15.557 22.847 1.00 0.00 ATOM 575 O THR A 71 10.587 17.909 23.900 1.00 0.00 ATOM 576 C THR A 71 9.962 18.084 22.863 1.00 0.00 ATOM 577 N ASP A 72 10.520 18.294 21.676 1.00 0.00 ATOM 578 CA ASP A 72 11.973 18.409 21.558 1.00 0.00 ATOM 579 CB ASP A 72 12.369 18.634 20.098 1.00 0.00 ATOM 580 CG ASP A 72 13.871 18.622 19.893 1.00 0.00 ATOM 581 OD1 ASP A 72 14.606 18.494 20.894 1.00 0.00 ATOM 582 OD2 ASP A 72 14.313 18.743 18.731 1.00 0.00 ATOM 583 O ASP A 72 11.873 20.702 22.257 1.00 0.00 ATOM 584 C ASP A 72 12.436 19.601 22.384 1.00 0.00 ATOM 585 N VAL A 73 13.448 19.385 23.210 1.00 0.00 ATOM 586 CA VAL A 73 13.974 20.426 24.069 1.00 0.00 ATOM 587 CB VAL A 73 14.796 19.836 25.231 1.00 0.00 ATOM 588 CG1 VAL A 73 15.410 20.947 26.067 1.00 0.00 ATOM 589 CG2 VAL A 73 13.912 18.989 26.132 1.00 0.00 ATOM 590 O VAL A 73 15.792 20.893 22.567 1.00 0.00 ATOM 591 C VAL A 73 14.880 21.355 23.260 1.00 0.00 ATOM 592 N LEU A 74 14.611 22.659 23.348 1.00 0.00 ATOM 593 CA LEU A 74 15.447 23.656 22.677 1.00 0.00 ATOM 594 CB LEU A 74 14.682 24.971 22.510 1.00 0.00 ATOM 595 CG LEU A 74 13.425 24.917 21.639 1.00 0.00 ATOM 596 CD1 LEU A 74 12.711 26.261 21.641 1.00 0.00 ATOM 597 CD2 LEU A 74 13.780 24.570 20.203 1.00 0.00 ATOM 598 O LEU A 74 16.743 24.028 24.665 1.00 0.00 ATOM 599 C LEU A 74 16.721 23.990 23.431 1.00 0.00 ATOM 600 N LYS A 75 17.879 24.228 22.668 1.00 0.00 ATOM 601 CA LYS A 75 19.173 24.567 23.239 1.00 0.00 ATOM 602 CB LYS A 75 20.256 23.625 22.708 1.00 0.00 ATOM 603 CG LYS A 75 20.092 22.180 23.150 1.00 0.00 ATOM 604 CD LYS A 75 21.224 21.311 22.628 1.00 0.00 ATOM 605 CE LYS A 75 21.075 19.871 23.092 1.00 0.00 ATOM 606 NZ LYS A 75 22.194 19.014 22.613 1.00 0.00 ATOM 607 O LYS A 75 19.015 26.517 21.850 1.00 0.00 ATOM 608 C LYS A 75 19.509 25.989 22.871 1.00 0.00 ATOM 609 N GLU A 76 20.358 26.610 23.701 1.00 0.00 ATOM 610 CA GLU A 76 20.763 27.975 23.466 1.00 0.00 ATOM 611 CB GLU A 76 21.818 28.442 24.467 1.00 0.00 ATOM 612 CG GLU A 76 22.287 29.881 24.216 1.00 0.00 ATOM 613 CD GLU A 76 23.269 30.403 25.249 1.00 0.00 ATOM 614 OE1 GLU A 76 23.636 29.656 26.189 1.00 0.00 ATOM 615 OE2 GLU A 76 23.682 31.572 25.097 1.00 0.00 ATOM 616 O GLU A 76 22.347 27.231 21.777 1.00 0.00 ATOM 617 C GLU A 76 21.475 28.053 22.093 1.00 0.00 ATOM 618 N GLY A 77 21.047 28.983 21.255 1.00 0.00 ATOM 619 CA GLY A 77 21.627 29.159 19.945 1.00 0.00 ATOM 620 O GLY A 77 21.381 28.487 17.696 1.00 0.00 ATOM 621 C GLY A 77 20.953 28.370 18.836 1.00 0.00 ATOM 622 N ASP A 78 19.920 27.554 19.139 1.00 0.00 ATOM 623 CA ASP A 78 19.245 26.816 18.085 1.00 0.00 ATOM 624 CB ASP A 78 18.191 25.884 18.625 1.00 0.00 ATOM 625 CG ASP A 78 18.708 24.542 19.076 1.00 0.00 ATOM 626 OD1 ASP A 78 19.929 24.243 18.901 1.00 0.00 ATOM 627 OD2 ASP A 78 17.907 23.741 19.641 1.00 0.00 ATOM 628 O ASP A 78 18.198 28.897 17.467 1.00 0.00 ATOM 629 C ASP A 78 18.617 27.779 17.090 1.00 0.00 ATOM 630 N ARG A 79 18.542 27.360 15.837 1.00 0.00 ATOM 631 CA ARG A 79 17.908 28.138 14.777 1.00 0.00 ATOM 632 CB ARG A 79 18.961 28.627 13.744 1.00 0.00 ATOM 633 CG ARG A 79 19.947 27.542 13.363 1.00 0.00 ATOM 634 CD ARG A 79 21.174 28.110 12.646 1.00 0.00 ATOM 635 NE ARG A 79 21.779 27.083 11.794 1.00 0.00 ATOM 636 CZ ARG A 79 22.721 26.234 12.186 1.00 0.00 ATOM 637 NH1 ARG A 79 23.202 26.256 13.423 1.00 0.00 ATOM 638 NH2 ARG A 79 23.200 25.334 11.328 1.00 0.00 ATOM 639 O ARG A 79 16.683 26.263 13.942 1.00 0.00 ATOM 640 C ARG A 79 16.642 27.421 14.348 1.00 0.00 ATOM 641 N ILE A 80 15.500 28.085 14.458 1.00 0.00 ATOM 642 CA ILE A 80 14.223 27.457 14.164 1.00 0.00 ATOM 643 CB ILE A 80 13.256 27.578 15.356 1.00 0.00 ATOM 644 CG1 ILE A 80 13.844 26.895 16.592 1.00 0.00 ATOM 645 CG2 ILE A 80 11.924 26.919 15.029 1.00 0.00 ATOM 646 CD1 ILE A 80 13.051 27.134 17.858 1.00 0.00 ATOM 647 O ILE A 80 13.348 29.328 12.978 1.00 0.00 ATOM 648 C ILE A 80 13.599 28.114 12.957 1.00 0.00 ATOM 649 N GLU A 81 13.327 27.345 11.904 1.00 0.00 ATOM 650 CA GLU A 81 12.656 27.868 10.733 1.00 0.00 ATOM 651 CB GLU A 81 13.117 27.138 9.469 1.00 0.00 ATOM 652 CG GLU A 81 14.591 27.324 9.147 1.00 0.00 ATOM 653 CD GLU A 81 15.009 26.596 7.885 1.00 0.00 ATOM 654 OE1 GLU A 81 14.152 25.917 7.279 1.00 0.00 ATOM 655 OE2 GLU A 81 16.191 26.704 7.501 1.00 0.00 ATOM 656 O GLU A 81 10.652 26.629 11.200 1.00 0.00 ATOM 657 C GLU A 81 11.142 27.694 10.820 1.00 0.00 ATOM 658 N ILE A 82 10.386 28.759 10.522 1.00 0.00 ATOM 659 CA ILE A 82 8.923 28.713 10.528 1.00 0.00 ATOM 660 CB ILE A 82 8.364 29.773 11.482 1.00 0.00 ATOM 661 CG1 ILE A 82 8.839 29.445 12.894 1.00 0.00 ATOM 662 CG2 ILE A 82 6.850 29.721 11.449 1.00 0.00 ATOM 663 CD1 ILE A 82 8.535 30.544 13.957 1.00 0.00 ATOM 664 O ILE A 82 8.662 30.065 8.582 1.00 0.00 ATOM 665 C ILE A 82 8.445 28.972 9.118 1.00 0.00 ATOM 666 N TYR A 83 7.870 27.881 8.466 1.00 0.00 ATOM 667 CA TYR A 83 7.710 28.040 7.019 1.00 0.00 ATOM 668 CB TYR A 83 9.034 27.605 6.344 1.00 0.00 ATOM 669 CG TYR A 83 9.422 26.196 6.722 1.00 0.00 ATOM 670 CD1 TYR A 83 8.966 25.112 5.988 1.00 0.00 ATOM 671 CD2 TYR A 83 10.233 25.946 7.821 1.00 0.00 ATOM 672 CE1 TYR A 83 9.308 23.828 6.330 1.00 0.00 ATOM 673 CE2 TYR A 83 10.583 24.656 8.169 1.00 0.00 ATOM 674 CZ TYR A 83 10.117 23.598 7.422 1.00 0.00 ATOM 675 OH TYR A 83 10.450 22.302 7.759 1.00 0.00 ATOM 676 O TYR A 83 5.965 26.409 7.049 1.00 0.00 ATOM 677 C TYR A 83 6.418 27.425 6.504 1.00 0.00 ATOM 678 N ARG A 84 5.937 27.882 5.346 1.00 0.00 ATOM 679 CA ARG A 84 4.811 27.178 4.716 1.00 0.00 ATOM 680 CB ARG A 84 4.308 27.912 3.468 1.00 0.00 ATOM 681 CG ARG A 84 3.787 29.267 3.737 1.00 0.00 ATOM 682 CD ARG A 84 2.861 29.732 2.706 1.00 0.00 ATOM 683 NE ARG A 84 3.546 30.010 1.450 1.00 0.00 ATOM 684 CZ ARG A 84 2.941 30.383 0.344 1.00 0.00 ATOM 685 NH1 ARG A 84 1.611 30.529 0.293 1.00 0.00 ATOM 686 NH2 ARG A 84 3.663 30.644 -0.717 1.00 0.00 ATOM 687 O ARG A 84 6.439 25.557 4.048 1.00 0.00 ATOM 688 C ARG A 84 5.265 25.779 4.313 1.00 0.00 ATOM 689 N PRO A 85 4.352 24.768 4.457 1.00 0.00 ATOM 690 CA PRO A 85 4.752 23.407 4.100 1.00 0.00 ATOM 691 CB PRO A 85 3.505 22.567 4.402 1.00 0.00 ATOM 692 CG PRO A 85 2.347 23.580 4.370 1.00 0.00 ATOM 693 CD PRO A 85 2.987 24.820 5.018 1.00 0.00 ATOM 694 O PRO A 85 6.186 22.549 2.346 1.00 0.00 ATOM 695 C PRO A 85 5.262 23.301 2.630 1.00 0.00 ATOM 696 N LEU A 86 4.654 24.076 1.717 1.00 0.00 ATOM 697 CA LEU A 86 5.114 24.026 0.347 1.00 0.00 ATOM 698 CB LEU A 86 4.090 24.813 -0.524 1.00 0.00 ATOM 699 CG LEU A 86 4.537 24.874 -2.008 1.00 0.00 ATOM 700 CD1 LEU A 86 4.552 23.487 -2.664 1.00 0.00 ATOM 701 CD2 LEU A 86 3.657 25.845 -2.757 1.00 0.00 ATOM 702 O LEU A 86 7.386 23.963 -0.438 1.00 0.00 ATOM 703 C LEU A 86 6.543 24.560 0.252 1.00 0.00 ATOM 704 N LEU A 87 6.877 25.660 1.034 1.00 0.00 ATOM 705 CA LEU A 87 8.246 26.170 1.060 1.00 0.00 ATOM 706 CB LEU A 87 8.292 27.477 1.866 1.00 0.00 ATOM 707 CG LEU A 87 7.575 28.645 1.255 1.00 0.00 ATOM 708 CD1 LEU A 87 7.718 29.851 2.182 1.00 0.00 ATOM 709 CD2 LEU A 87 8.168 29.019 -0.105 1.00 0.00 ATOM 710 O LEU A 87 10.320 24.964 1.138 1.00 0.00 ATOM 711 C LEU A 87 9.193 25.135 1.666 1.00 0.00 ATOM 712 N ALA A 88 8.774 24.433 2.712 1.00 0.00 ATOM 713 CA ALA A 88 9.615 23.445 3.350 1.00 0.00 ATOM 714 CB ALA A 88 8.899 22.885 4.585 1.00 0.00 ATOM 715 O ALA A 88 10.944 21.572 2.660 1.00 0.00 ATOM 716 C ALA A 88 9.960 22.279 2.429 1.00 0.00 ATOM 717 N ASP A 89 9.146 22.067 1.382 1.00 0.00 ATOM 718 CA ASP A 89 9.408 20.973 0.469 1.00 0.00 ATOM 719 CB ASP A 89 8.269 20.751 -0.487 1.00 0.00 ATOM 720 CG ASP A 89 6.920 20.522 0.201 1.00 0.00 ATOM 721 OD1 ASP A 89 6.887 20.031 1.343 1.00 0.00 ATOM 722 OD2 ASP A 89 5.873 20.829 -0.400 1.00 0.00 ATOM 723 O ASP A 89 11.130 22.224 -0.604 1.00 0.00 ATOM 724 C ASP A 89 10.766 21.119 -0.185 1.00 0.00 ATOM 725 N PRO A 90 11.527 20.015 -0.316 1.00 0.00 ATOM 726 CA PRO A 90 12.839 20.118 -0.933 1.00 0.00 ATOM 727 CB PRO A 90 13.400 18.707 -0.785 1.00 0.00 ATOM 728 CG PRO A 90 12.752 18.194 0.511 1.00 0.00 ATOM 729 CD PRO A 90 11.380 18.793 0.508 1.00 0.00 ATOM 730 O PRO A 90 13.624 21.378 -2.796 1.00 0.00 ATOM 731 C PRO A 90 12.827 20.536 -2.401 1.00 0.00 ATOM 732 N LYS A 91 11.941 19.986 -3.222 1.00 0.00 ATOM 733 CA LYS A 91 11.904 20.374 -4.633 1.00 0.00 ATOM 734 CB LYS A 91 10.971 19.449 -5.417 1.00 0.00 ATOM 735 CG LYS A 91 11.471 18.019 -5.524 1.00 0.00 ATOM 736 CD LYS A 91 10.455 17.125 -6.217 1.00 0.00 ATOM 737 CE LYS A 91 10.919 15.677 -6.234 1.00 0.00 ATOM 738 NZ LYS A 91 9.875 14.763 -6.780 1.00 0.00 ATOM 739 O LYS A 91 11.988 22.567 -5.606 1.00 0.00 ATOM 740 C LYS A 91 11.452 21.825 -4.783 1.00 0.00 ATOM 741 N GLU A 92 10.491 22.239 -3.962 1.00 0.00 ATOM 742 CA GLU A 92 9.994 23.610 -4.017 1.00 0.00 ATOM 743 CB GLU A 92 8.702 23.744 -3.200 1.00 0.00 ATOM 744 CG GLU A 92 7.562 22.864 -3.705 1.00 0.00 ATOM 745 CD GLU A 92 7.130 23.202 -5.125 1.00 0.00 ATOM 746 OE1 GLU A 92 6.546 22.318 -5.785 1.00 0.00 ATOM 747 OE2 GLU A 92 7.363 24.347 -5.577 1.00 0.00 ATOM 748 O GLU A 92 11.221 25.671 -4.087 1.00 0.00 ATOM 749 C GLU A 92 11.045 24.597 -3.514 1.00 0.00 ATOM 750 N ILE A 93 11.757 24.225 -2.453 1.00 0.00 ATOM 751 CA ILE A 93 12.782 25.095 -1.888 1.00 0.00 ATOM 752 CB ILE A 93 13.373 24.483 -0.594 1.00 0.00 ATOM 753 CG1 ILE A 93 12.312 24.500 0.509 1.00 0.00 ATOM 754 CG2 ILE A 93 14.620 25.252 -0.164 1.00 0.00 ATOM 755 CD1 ILE A 93 12.688 23.703 1.738 1.00 0.00 ATOM 756 O ILE A 93 14.364 26.401 -3.139 1.00 0.00 ATOM 757 C ILE A 93 13.894 25.286 -2.916 1.00 0.00 ATOM 758 N ARG A 94 14.272 24.210 -3.574 1.00 0.00 ATOM 759 CA ARG A 94 15.300 24.282 -4.602 1.00 0.00 ATOM 760 CB ARG A 94 15.712 22.814 -4.925 1.00 0.00 ATOM 761 CG ARG A 94 16.825 22.686 -5.917 1.00 0.00 ATOM 762 CD ARG A 94 18.202 22.949 -5.340 1.00 0.00 ATOM 763 NE ARG A 94 19.160 22.906 -6.427 1.00 0.00 ATOM 764 CZ ARG A 94 19.593 23.966 -7.100 1.00 0.00 ATOM 765 NH1 ARG A 94 19.175 25.192 -6.803 1.00 0.00 ATOM 766 NH2 ARG A 94 20.451 23.783 -8.091 1.00 0.00 ATOM 767 O ARG A 94 15.721 25.855 -6.360 1.00 0.00 ATOM 768 C ARG A 94 14.903 25.110 -5.827 1.00 0.00 ATOM 769 N ARG A 95 13.594 25.082 -6.368 1.00 0.00 ATOM 770 CA ARG A 95 13.138 25.852 -7.528 1.00 0.00 ATOM 771 CB ARG A 95 11.648 25.586 -7.741 1.00 0.00 ATOM 772 CG ARG A 95 10.978 26.533 -8.738 1.00 0.00 ATOM 773 CD ARG A 95 9.506 26.196 -8.967 1.00 0.00 ATOM 774 NE ARG A 95 8.687 26.265 -7.755 1.00 0.00 ATOM 775 CZ ARG A 95 8.422 27.377 -7.072 1.00 0.00 ATOM 776 NH1 ARG A 95 8.910 28.544 -7.468 1.00 0.00 ATOM 777 NH2 ARG A 95 7.661 27.319 -5.989 1.00 0.00 ATOM 778 O ARG A 95 13.886 28.071 -8.145 1.00 0.00 ATOM 779 C ARG A 95 13.352 27.332 -7.285 1.00 0.00 ATOM 780 N GLU A 96 12.979 27.812 -6.122 1.00 0.00 ATOM 781 CA GLU A 96 13.268 29.191 -5.756 1.00 0.00 ATOM 782 CB GLU A 96 12.186 29.703 -4.799 1.00 0.00 ATOM 783 CG GLU A 96 10.874 29.972 -5.538 1.00 0.00 ATOM 784 CD GLU A 96 9.739 30.403 -4.612 1.00 0.00 ATOM 785 OE1 GLU A 96 10.041 31.056 -3.581 1.00 0.00 ATOM 786 OE2 GLU A 96 8.572 30.010 -4.918 1.00 0.00 ATOM 787 O GLU A 96 15.026 30.545 -4.782 1.00 0.00 ATOM 788 C GLU A 96 14.653 29.386 -5.120 1.00 0.00 ATOM 789 N GLY A 97 15.408 28.301 -4.894 1.00 0.00 ATOM 790 CA GLY A 97 16.726 28.422 -4.297 1.00 0.00 ATOM 791 O GLY A 97 16.155 26.595 -2.876 1.00 0.00 ATOM 792 C GLY A 97 16.770 27.655 -2.988 1.00 0.00 ENDMDL EXPDTA 2hj1A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hj1A ATOM 1 N ASN 11 16.628 30.914 34.390 1.00 0.00 ATOM 2 CA ASN 11 17.796 30.291 33.681 1.00 0.00 ATOM 3 CB ASN 11 18.133 28.933 34.306 1.00 0.00 ATOM 4 CG ASN 11 19.527 28.435 33.914 1.00 0.00 ATOM 5 ND2 ASN 11 19.955 28.760 32.689 1.00 0.00 ATOM 6 OD1 ASN 11 20.216 27.779 34.712 1.00 0.00 ATOM 7 O ASN 11 16.704 29.247 31.806 1.00 0.00 ATOM 8 C ASN 11 17.490 30.122 32.180 1.00 0.00 ATOM 9 N GLN 12 18.117 30.953 31.343 1.00 0.00 ATOM 10 CA GLN 12 17.563 31.282 30.028 1.00 0.00 ATOM 11 CB GLN 12 17.434 32.800 29.885 1.00 0.00 ATOM 12 CG GLN 12 16.597 33.460 30.960 1.00 0.00 ATOM 13 CD GLN 12 15.106 33.328 30.718 1.00 0.00 ATOM 14 OE1 GLN 12 14.513 34.142 30.006 1.00 0.00 ATOM 15 NE2 GLN 12 14.489 32.310 31.316 1.00 0.00 ATOM 16 O GLN 12 19.573 30.483 29.019 1.00 0.00 ATOM 17 C GLN 12 18.386 30.757 28.862 1.00 0.00 ATOM 18 N ILE 13 17.752 30.607 27.695 1.00 0.00 ATOM 19 CA ILE 13 18.491 30.297 26.453 1.00 0.00 ATOM 20 CB ILE 13 18.360 28.814 26.005 1.00 0.00 ATOM 21 CG1 ILE 13 16.870 28.404 25.884 1.00 0.00 ATOM 22 CG2 ILE 13 19.184 27.892 26.920 1.00 0.00 ATOM 23 CD1 ILE 13 16.605 27.157 25.045 1.00 0.00 ATOM 24 O ILE 13 16.963 31.755 25.374 1.00 0.00 ATOM 25 C ILE 13 18.060 31.231 25.341 1.00 0.00 ATOM 26 N ASN 14 18.940 31.447 24.370 1.00 0.00 ATOM 27 CA ASN 14 18.618 32.295 23.220 1.00 0.00 ATOM 28 CB ASN 14 19.829 33.127 22.777 1.00 0.00 ATOM 29 CG ASN 14 20.355 34.048 23.874 1.00 0.00 ATOM 30 ND2 ASN 14 21.474 33.661 24.467 1.00 0.00 ATOM 31 OD1 ASN 14 19.768 35.095 24.170 1.00 0.00 ATOM 32 O ASN 14 18.901 30.469 21.681 1.00 0.00 ATOM 33 C ASN 14 18.182 31.400 22.049 1.00 0.00 ATOM 34 N ILE 15 17.014 31.698 21.476 1.00 0.00 ATOM 35 CA ILE 15 16.495 30.937 20.343 1.00 0.00 ATOM 36 CB ILE 15 15.336 29.956 20.746 1.00 0.00 ATOM 37 CG1 ILE 15 14.137 30.730 21.330 1.00 0.00 ATOM 38 CG2 ILE 15 15.864 28.866 21.650 1.00 0.00 ATOM 39 CD1 ILE 15 12.831 29.953 21.396 1.00 0.00 ATOM 40 O ILE 15 15.762 33.063 19.572 1.00 0.00 ATOM 41 C ILE 15 15.966 31.869 19.315 1.00 0.00 ATOM 42 N GLU 16 15.681 31.321 18.149 1.00 0.00 ATOM 43 CA GLU 16 15.061 32.101 17.100 1.00 0.00 ATOM 44 CB GLU 16 16.053 32.366 15.972 1.00 0.00 ATOM 45 CG GLU 16 17.221 33.282 16.398 1.00 0.00 ATOM 46 CD GLU 16 18.193 33.526 15.255 1.00 0.00 ATOM 47 OE1 GLU 16 18.658 32.522 14.660 1.00 0.00 ATOM 48 OE2 GLU 16 18.454 34.719 14.935 1.00 0.00 ATOM 49 O GLU 16 13.842 30.134 16.669 1.00 0.00 ATOM 50 C GLU 16 13.885 31.348 16.561 1.00 0.00 ATOM 51 N ILE 17 12.961 32.073 15.959 1.00 0.00 ATOM 52 CA ILE 17 11.882 31.468 15.205 1.00 0.00 ATOM 53 CB ILE 17 10.504 31.556 15.940 1.00 0.00 ATOM 54 CG1 ILE 17 10.604 30.976 17.343 1.00 0.00 ATOM 55 CG2 ILE 17 9.425 30.786 15.154 1.00 0.00 ATOM 56 CD1 ILE 17 9.197 30.881 18.085 1.00 0.00 ATOM 57 O ILE 17 11.697 33.489 13.959 1.00 0.00 ATOM 58 C ILE 17 11.761 32.241 13.924 1.00 0.00 ATOM 59 N ALA 18 11.681 31.506 12.807 1.00 0.00 ATOM 60 CA ALA 18 11.527 32.098 11.470 1.00 0.00 ATOM 61 CB ALA 18 12.730 31.769 10.626 1.00 0.00 ATOM 62 O ALA 18 9.902 30.431 11.015 1.00 0.00 ATOM 63 C ALA 18 10.291 31.570 10.801 1.00 0.00 ATOM 64 N TYR 19 9.643 32.409 10.013 1.00 0.00 ATOM 65 CA TYR 19 8.555 31.947 9.208 1.00 0.00 ATOM 66 CB TYR 19 7.215 32.467 9.755 1.00 0.00 ATOM 67 CG TYR 19 6.025 32.227 8.874 1.00 0.00 ATOM 68 CD1 TYR 19 5.798 30.987 8.276 1.00 0.00 ATOM 69 CD2 TYR 19 5.087 33.235 8.686 1.00 0.00 ATOM 70 CE1 TYR 19 4.711 30.772 7.491 1.00 0.00 ATOM 71 CE2 TYR 19 3.993 33.027 7.917 1.00 0.00 ATOM 72 CZ TYR 19 3.808 31.834 7.323 1.00 0.00 ATOM 73 OH TYR 19 2.704 31.710 6.551 1.00 0.00 ATOM 74 O TYR 19 8.935 33.722 7.632 1.00 0.00 ATOM 75 C TYR 19 8.849 32.492 7.829 1.00 0.00 ATOM 76 N ALA 20 9.035 31.567 6.885 1.00 0.00 ATOM 77 CA ALA 20 9.300 31.903 5.496 1.00 0.00 ATOM 78 CB ALA 20 10.390 30.936 4.889 1.00 0.00 ATOM 79 O ALA 20 7.422 30.708 4.604 1.00 0.00 ATOM 80 C ALA 20 8.020 31.790 4.713 1.00 0.00 ATOM 81 N PHE 21 7.591 32.899 4.132 1.00 0.00 ATOM 82 CA PHE 21 6.542 32.791 3.161 1.00 0.00 ATOM 83 CB PHE 21 5.147 33.077 3.793 1.00 0.00 ATOM 84 CG PHE 21 5.013 34.452 4.386 1.00 0.00 ATOM 85 CD1 PHE 21 4.246 35.412 3.752 1.00 0.00 ATOM 86 CD2 PHE 21 5.651 34.777 5.588 1.00 0.00 ATOM 87 CE1 PHE 21 4.119 36.686 4.291 1.00 0.00 ATOM 88 CE2 PHE 21 5.535 36.061 6.153 1.00 0.00 ATOM 89 CZ PHE 21 4.770 37.015 5.501 1.00 0.00 ATOM 90 O PHE 21 7.960 34.261 1.915 1.00 0.00 ATOM 91 C PHE 21 6.911 33.630 1.923 1.00 0.00 ATOM 92 N PRO 22 6.100 33.550 0.856 1.00 0.00 ATOM 93 CA PRO 22 6.511 34.072 -0.454 1.00 0.00 ATOM 94 CB PRO 22 5.306 33.788 -1.344 1.00 0.00 ATOM 95 CG PRO 22 4.618 32.639 -0.644 1.00 0.00 ATOM 96 CD PRO 22 4.788 32.879 0.786 1.00 0.00 ATOM 97 O PRO 22 7.850 35.927 -1.106 1.00 0.00 ATOM 98 C PRO 22 6.872 35.549 -0.456 1.00 0.00 ATOM 99 N GLU 23 6.154 36.358 0.308 1.00 0.00 ATOM 100 CA GLU 23 6.347 37.814 0.221 1.00 0.00 ATOM 101 CB GLU 23 5.003 38.543 0.392 1.00 0.00 ATOM 102 CG GLU 23 3.846 38.039 -0.545 1.00 0.00 ATOM 103 CD GLU 23 3.054 36.792 -0.020 1.00 0.00 ATOM 104 OE1 GLU 23 3.264 36.352 1.147 1.00 0.00 ATOM 105 OE2 GLU 23 2.206 36.263 -0.796 1.00 0.00 ATOM 106 O GLU 23 7.811 39.467 1.107 1.00 0.00 ATOM 107 C GLU 23 7.357 38.347 1.233 1.00 0.00 ATOM 108 N ARG 24 7.690 37.566 2.254 1.00 0.00 ATOM 109 CA ARG 24 8.562 38.055 3.306 1.00 0.00 ATOM 110 CB ARG 24 7.792 39.004 4.255 1.00 0.00 ATOM 111 CG ARG 24 8.309 38.999 5.699 1.00 0.00 ATOM 112 CD ARG 24 7.888 40.252 6.475 1.00 0.00 ATOM 113 NE ARG 24 6.507 40.199 6.965 1.00 0.00 ATOM 114 CZ ARG 24 6.154 40.438 8.228 1.00 0.00 ATOM 115 NH1 ARG 24 7.088 40.725 9.134 1.00 0.00 ATOM 116 NH2 ARG 24 4.865 40.402 8.577 1.00 0.00 ATOM 117 O ARG 24 8.635 35.810 4.168 1.00 0.00 ATOM 118 C ARG 24 9.185 36.916 4.105 1.00 0.00 ATOM 119 N TYR 25 10.343 37.200 4.687 1.00 0.00 ATOM 120 CA TYR 25 10.994 36.312 5.613 1.00 0.00 ATOM 121 CB TYR 25 12.450 36.091 5.214 1.00 0.00 ATOM 122 CG TYR 25 13.173 35.117 6.098 1.00 0.00 ATOM 123 CD1 TYR 25 12.845 33.773 6.082 1.00 0.00 ATOM 124 CD2 TYR 25 14.203 35.535 6.934 1.00 0.00 ATOM 125 CE1 TYR 25 13.498 32.871 6.884 1.00 0.00 ATOM 126 CE2 TYR 25 14.869 34.624 7.751 1.00 0.00 ATOM 127 CZ TYR 25 14.511 33.304 7.709 1.00 0.00 ATOM 128 OH TYR 25 15.138 32.396 8.530 1.00 0.00 ATOM 129 O TYR 25 11.482 38.006 7.219 1.00 0.00 ATOM 130 C TYR 25 10.922 36.947 6.992 1.00 0.00 ATOM 131 N TYR 26 10.208 36.302 7.912 1.00 0.00 ATOM 132 CA TYR 26 10.097 36.783 9.292 1.00 0.00 ATOM 133 CB TYR 26 8.661 36.541 9.763 1.00 0.00 ATOM 134 CG TYR 26 8.399 36.828 11.242 1.00 0.00 ATOM 135 CD1 TYR 26 8.023 38.110 11.673 1.00 0.00 ATOM 136 CD2 TYR 26 8.515 35.817 12.207 1.00 0.00 ATOM 137 CE1 TYR 26 7.777 38.375 13.040 1.00 0.00 ATOM 138 CE2 TYR 26 8.265 36.073 13.570 1.00 0.00 ATOM 139 CZ TYR 26 7.898 37.344 13.958 1.00 0.00 ATOM 140 OH TYR 26 7.639 37.585 15.277 1.00 0.00 ATOM 141 O TYR 26 11.146 34.848 10.206 1.00 0.00 ATOM 142 C TYR 26 11.096 36.064 10.202 1.00 0.00 ATOM 143 N LEU 27 11.889 36.809 10.966 1.00 0.00 ATOM 144 CA LEU 27 12.837 36.221 11.909 1.00 0.00 ATOM 145 CB LEU 27 14.269 36.191 11.331 1.00 0.00 ATOM 146 CG LEU 27 15.423 35.581 12.170 1.00 0.00 ATOM 147 CD1 LEU 27 15.273 34.100 12.460 1.00 0.00 ATOM 148 CD2 LEU 27 16.842 35.836 11.507 1.00 0.00 ATOM 149 O LEU 27 12.877 38.222 13.208 1.00 0.00 ATOM 150 C LEU 27 12.802 36.984 13.213 1.00 0.00 ATOM 151 N LYS 28 12.696 36.266 14.328 1.00 0.00 ATOM 152 CA LYS 28 12.679 36.909 15.634 1.00 0.00 ATOM 153 CB LYS 28 11.240 37.093 16.125 1.00 0.00 ATOM 154 CG LYS 28 11.075 38.168 17.193 1.00 0.00 ATOM 155 CD LYS 28 9.705 38.097 17.836 1.00 0.00 ATOM 156 CE LYS 28 9.429 39.313 18.700 1.00 0.00 ATOM 157 NZ LYS 28 8.103 39.170 19.375 1.00 0.00 ATOM 158 O LYS 28 13.451 34.900 16.697 1.00 0.00 ATOM 159 C LYS 28 13.508 36.133 16.653 1.00 0.00 ATOM 160 N SER 29 14.283 36.868 17.456 1.00 0.00 ATOM 161 CA SER 29 15.117 36.296 18.525 1.00 0.00 ATOM 162 CB SER 29 16.463 37.023 18.650 1.00 0.00 ATOM 163 OG SER 29 17.212 36.982 17.447 1.00 0.00 ATOM 164 O SER 29 13.788 37.522 20.053 1.00 0.00 ATOM 165 C SER 29 14.399 36.486 19.842 1.00 0.00 ATOM 166 N PHE 30 14.490 35.479 20.718 1.00 0.00 ATOM 167 CA PHE 30 13.818 35.447 22.031 1.00 0.00 ATOM 168 CB PHE 30 12.559 34.569 22.011 1.00 0.00 ATOM 169 CG PHE 30 11.593 34.878 20.904 1.00 0.00 ATOM 170 CD1 PHE 30 11.711 34.246 19.662 1.00 0.00 ATOM 171 CD2 PHE 30 10.538 35.762 21.114 1.00 0.00 ATOM 172 CE1 PHE 30 10.804 34.518 18.637 1.00 0.00 ATOM 173 CE2 PHE 30 9.628 36.043 20.103 1.00 0.00 ATOM 174 CZ PHE 30 9.759 35.427 18.858 1.00 0.00 ATOM 175 O PHE 30 15.597 33.997 22.738 1.00 0.00 ATOM 176 C PHE 30 14.733 34.820 23.078 1.00 0.00 ATOM 177 N GLN 31 14.525 35.188 24.349 1.00 0.00 ATOM 178 CA GLN 31 15.105 34.444 25.471 1.00 0.00 ATOM 179 CB GLN 31 15.795 35.370 26.477 1.00 0.00 ATOM 180 CG GLN 31 17.219 35.695 26.086 1.00 0.00 ATOM 181 CD GLN 31 18.125 36.042 27.277 1.00 0.00 ATOM 182 OE1 GLN 31 17.679 36.096 28.438 1.00 0.00 ATOM 183 NE2 GLN 31 19.407 36.280 26.988 1.00 0.00 ATOM 184 O GLN 31 12.909 34.279 26.391 1.00 0.00 ATOM 185 C GLN 31 13.981 33.709 26.137 1.00 0.00 ATOM 186 N VAL 32 14.201 32.435 26.405 1.00 0.00 ATOM 187 CA VAL 32 13.152 31.618 27.008 1.00 0.00 ATOM 188 CB VAL 32 12.430 30.721 25.948 1.00 0.00 ATOM 189 CG1 VAL 32 11.636 31.593 24.977 1.00 0.00 ATOM 190 CG2 VAL 32 13.429 29.846 25.185 1.00 0.00 ATOM 191 O VAL 32 15.007 30.577 28.081 1.00 0.00 ATOM 192 C VAL 32 13.781 30.743 28.072 1.00 0.00 ATOM 193 N ASP 33 12.944 30.169 28.933 1.00 0.00 ATOM 194 CA ASP 33 13.406 29.251 29.961 1.00 0.00 ATOM 195 CB ASP 33 12.249 28.780 30.857 1.00 0.00 ATOM 196 CG ASP 33 11.571 29.921 31.602 1.00 0.00 ATOM 197 OD1 ASP 33 12.267 30.920 31.954 1.00 0.00 ATOM 198 OD2 ASP 33 10.333 29.814 31.824 1.00 0.00 ATOM 199 O ASP 33 13.422 27.326 28.537 1.00 0.00 ATOM 200 C ASP 33 14.038 28.023 29.349 1.00 0.00 ATOM 201 N GLU 34 15.266 27.746 29.759 1.00 0.00 ATOM 202 CA GLU 34 15.862 26.447 29.522 1.00 0.00 ATOM 203 CB GLU 34 17.045 26.298 30.461 1.00 0.00 ATOM 204 CG GLU 34 17.845 25.035 30.295 1.00 0.00 ATOM 205 CD GLU 34 19.229 25.158 30.953 1.00 0.00 ATOM 206 OE1 GLU 34 20.228 25.363 30.208 1.00 0.00 ATOM 207 OE2 GLU 34 19.297 25.075 32.211 1.00 0.00 ATOM 208 O GLU 34 14.041 25.455 30.740 1.00 0.00 ATOM 209 C GLU 34 14.805 25.355 29.785 1.00 0.00 ATOM 210 N GLY 35 14.750 24.335 28.930 1.00 0.00 ATOM 211 CA GLY 35 13.788 23.241 29.077 1.00 0.00 ATOM 212 O GLY 35 11.708 22.410 28.234 1.00 0.00 ATOM 213 C GLY 35 12.467 23.375 28.324 1.00 0.00 ATOM 214 N ILE 36 12.188 24.565 27.798 1.00 0.00 ATOM 215 CA ILE 36 10.994 24.834 26.979 1.00 0.00 ATOM 216 CB ILE 36 10.956 26.362 26.591 1.00 0.00 ATOM 217 CG1 ILE 36 9.634 26.789 25.982 1.00 0.00 ATOM 218 CG2 ILE 36 12.073 26.746 25.625 1.00 0.00 ATOM 219 CD1 ILE 36 9.602 28.276 25.595 1.00 0.00 ATOM 220 O ILE 36 11.964 23.573 25.125 1.00 0.00 ATOM 221 C ILE 36 10.928 23.898 25.728 1.00 0.00 ATOM 222 N THR 37 9.717 23.448 25.373 1.00 0.00 ATOM 223 CA THR 37 9.501 22.653 24.166 1.00 0.00 ATOM 224 CB THR 37 8.252 21.753 24.277 1.00 0.00 ATOM 225 CG2 THR 37 8.393 20.766 25.458 1.00 0.00 ATOM 226 OG1 THR 37 7.075 22.571 24.427 1.00 0.00 ATOM 227 O THR 37 9.123 24.749 23.126 1.00 0.00 ATOM 228 C THR 37 9.328 23.555 22.975 1.00 0.00 ATOM 229 N VAL 38 9.445 22.986 21.776 1.00 0.00 ATOM 230 CA VAL 38 9.208 23.749 20.548 1.00 0.00 ATOM 231 CB VAL 38 9.309 22.832 19.295 1.00 0.00 ATOM 232 CG1 VAL 38 8.903 23.590 18.034 1.00 0.00 ATOM 233 CG2 VAL 38 10.731 22.218 19.214 1.00 0.00 ATOM 234 O VAL 38 7.654 25.564 20.215 1.00 0.00 ATOM 235 C VAL 38 7.818 24.393 20.570 1.00 0.00 ATOM 236 N GLN 39 6.800 23.636 20.982 1.00 0.00 ATOM 237 CA GLN 39 5.426 24.140 20.942 1.00 0.00 ATOM 238 CB GLN 39 4.453 23.042 21.390 1.00 0.00 ATOM 239 CG GLN 39 2.982 23.202 20.952 1.00 0.00 ATOM 240 CD GLN 39 2.230 21.856 21.096 1.00 0.00 ATOM 241 OE1 GLN 39 1.821 21.260 20.123 1.00 0.00 ATOM 242 NE2 GLN 39 2.147 21.361 22.315 1.00 0.00 ATOM 243 O GLN 39 4.548 26.286 21.520 1.00 0.00 ATOM 244 C GLN 39 5.248 25.327 21.860 1.00 0.00 ATOM 245 N THR 40 5.840 25.253 23.044 1.00 0.00 ATOM 246 CA THR 40 5.675 26.330 24.035 1.00 0.00 ATOM 247 CB THR 40 6.321 25.939 25.388 1.00 0.00 ATOM 248 CG2 THR 40 6.232 27.053 26.407 1.00 0.00 ATOM 249 OG1 THR 40 5.652 24.786 25.910 1.00 0.00 ATOM 250 O THR 40 5.741 28.675 23.539 1.00 0.00 ATOM 251 C THR 40 6.329 27.593 23.481 1.00 0.00 ATOM 252 N ALA 41 7.521 27.428 22.874 1.00 0.00 ATOM 253 CA ALA 41 8.217 28.544 22.248 1.00 0.00 ATOM 254 CB ALA 41 9.599 28.084 21.654 1.00 0.00 ATOM 255 O ALA 41 7.240 30.392 21.097 1.00 0.00 ATOM 256 C ALA 41 7.343 29.173 21.181 1.00 0.00 ATOM 257 N ILE 42 6.689 28.357 20.365 1.00 0.00 ATOM 258 CA ILE 42 5.861 28.896 19.283 1.00 0.00 ATOM 259 CB ILE 42 5.339 27.773 18.372 1.00 0.00 ATOM 260 CG1 ILE 42 6.500 27.144 17.580 1.00 0.00 ATOM 261 CG2 ILE 42 4.212 28.295 17.474 1.00 0.00 ATOM 262 CD1 ILE 42 6.083 25.904 16.789 1.00 0.00 ATOM 263 O ILE 42 4.394 30.818 19.433 1.00 0.00 ATOM 264 C ILE 42 4.656 29.673 19.832 1.00 0.00 ATOM 265 N THR 43 3.910 29.051 20.741 1.00 0.00 ATOM 266 CA THR 43 2.763 29.748 21.342 1.00 0.00 ATOM 267 CB THR 43 1.894 28.837 22.250 1.00 0.00 ATOM 268 CG2 THR 43 1.353 27.724 21.425 1.00 0.00 ATOM 269 OG1 THR 43 2.689 28.317 23.319 1.00 0.00 ATOM 270 O THR 43 2.570 32.028 21.958 1.00 0.00 ATOM 271 C THR 43 3.199 30.976 22.083 1.00 0.00 ATOM 272 N GLN 44 4.303 30.875 22.805 1.00 0.00 ATOM 273 CA GLN 44 4.867 32.021 23.545 1.00 0.00 ATOM 274 CB GLN 44 6.093 31.556 24.324 1.00 0.00 ATOM 275 CG GLN 44 6.372 32.278 25.599 1.00 0.00 ATOM 276 CD GLN 44 7.248 31.462 26.564 1.00 0.00 ATOM 277 OE1 GLN 44 6.801 30.476 27.175 1.00 0.00 ATOM 278 NE2 GLN 44 8.493 31.899 26.729 1.00 0.00 ATOM 279 O GLN 44 5.171 34.379 23.081 1.00 0.00 ATOM 280 C GLN 44 5.270 33.218 22.659 1.00 0.00 ATOM 281 N SER 45 5.735 32.932 21.442 1.00 0.00 ATOM 282 CA SER 45 6.274 33.962 20.556 1.00 0.00 ATOM 283 CB SER 45 6.982 33.289 19.387 1.00 0.00 ATOM 284 OG SER 45 6.036 32.764 18.467 1.00 0.00 ATOM 285 O SER 45 5.450 35.961 19.491 1.00 0.00 ATOM 286 C SER 45 5.178 34.866 20.002 1.00 0.00 ATOM 287 N GLY 46 3.935 34.395 20.069 1.00 0.00 ATOM 288 CA GLY 46 2.833 35.117 19.414 1.00 0.00 ATOM 289 O GLY 46 2.018 35.650 17.235 1.00 0.00 ATOM 290 C GLY 46 2.833 35.019 17.906 1.00 0.00 ATOM 291 N ILE 47 3.720 34.204 17.345 1.00 0.00 ATOM 292 CA ILE 47 3.760 34.084 15.878 1.00 0.00 ATOM 293 CB ILE 47 4.994 33.235 15.386 1.00 0.00 ATOM 294 CG1 ILE 47 5.333 33.588 13.935 1.00 0.00 ATOM 295 CG2 ILE 47 4.777 31.697 15.638 1.00 0.00 ATOM 296 CD1 ILE 47 6.542 32.859 13.392 1.00 0.00 ATOM 297 O ILE 47 2.053 33.948 14.177 1.00 0.00 ATOM 298 C ILE 47 2.428 33.590 15.290 1.00 0.00 ATOM 299 N LEU 48 1.695 32.764 16.036 1.00 0.00 ATOM 300 CA LEU 48 0.435 32.206 15.483 1.00 0.00 ATOM 301 CB LEU 48 -0.007 30.943 16.258 1.00 0.00 ATOM 302 CG LEU 48 0.972 29.789 16.447 1.00 0.00 ATOM 303 CD1 LEU 48 0.303 28.798 17.373 1.00 0.00 ATOM 304 CD2 LEU 48 1.299 29.124 15.086 1.00 0.00 ATOM 305 O LEU 48 -1.586 33.151 14.530 1.00 0.00 ATOM 306 C LEU 48 -0.711 33.240 15.400 1.00 0.00 ATOM 307 N SER 49 -0.692 34.222 16.292 1.00 0.00 ATOM 308 CA SER 49 -1.652 35.342 16.190 1.00 0.00 ATOM 309 CB SER 49 -1.681 36.161 17.486 1.00 0.00 ATOM 310 OG SER 49 -1.726 35.310 18.620 1.00 0.00 ATOM 311 O SER 49 -2.109 36.670 14.224 1.00 0.00 ATOM 312 C SER 49 -1.265 36.250 15.027 1.00 0.00 ATOM 313 N GLN 50 0.034 36.527 14.928 1.00 0.00 ATOM 314 CA GLN 50 0.564 37.389 13.865 1.00 0.00 ATOM 315 CB GLN 50 2.034 37.678 14.101 1.00 0.00 ATOM 316 CG GLN 50 2.551 38.833 13.289 1.00 0.00 ATOM 317 CD GLN 50 3.930 39.242 13.738 1.00 0.00 ATOM 318 OE1 GLN 50 4.539 40.166 13.178 1.00 0.00 ATOM 319 NE2 GLN 50 4.441 38.562 14.763 1.00 0.00 ATOM 320 O GLN 50 0.071 37.584 11.542 1.00 0.00 ATOM 321 C GLN 50 0.332 36.828 12.477 1.00 0.00 ATOM 322 N PHE 51 0.412 35.503 12.329 1.00 0.00 ATOM 323 CA PHE 51 0.201 34.851 11.043 1.00 0.00 ATOM 324 CB PHE 51 1.523 34.298 10.530 1.00 0.00 ATOM 325 CG PHE 51 2.597 35.325 10.431 1.00 0.00 ATOM 326 CD1 PHE 51 2.617 36.207 9.367 1.00 0.00 ATOM 327 CD2 PHE 51 3.562 35.437 11.423 1.00 0.00 ATOM 328 CE1 PHE 51 3.624 37.190 9.276 1.00 0.00 ATOM 329 CE2 PHE 51 4.562 36.399 11.344 1.00 0.00 ATOM 330 CZ PHE 51 4.600 37.275 10.251 1.00 0.00 ATOM 331 O PHE 51 -0.405 32.570 11.459 1.00 0.00 ATOM 332 C PHE 51 -0.799 33.716 11.220 1.00 0.00 ATOM 333 N PRO 52 -2.107 34.046 11.165 1.00 0.00 ATOM 334 CA PRO 52 -3.209 33.077 11.405 1.00 0.00 ATOM 335 CB PRO 52 -4.500 33.900 11.184 1.00 0.00 ATOM 336 CG PRO 52 -4.024 35.212 10.469 1.00 0.00 ATOM 337 CD PRO 52 -2.595 35.427 10.944 1.00 0.00 ATOM 338 O PRO 52 -3.773 30.829 10.788 1.00 0.00 ATOM 339 C PRO 52 -3.202 31.888 10.463 1.00 0.00 ATOM 340 N GLU 53 -2.581 32.065 9.299 1.00 0.00 ATOM 341 CA GLU 53 -2.492 30.986 8.328 1.00 0.00 ATOM 342 CB GLU 53 -2.094 31.541 6.957 1.00 0.00 ATOM 343 CG GLU 53 -0.603 31.864 6.790 1.00 0.00 ATOM 344 CD GLU 53 -0.200 33.305 7.191 1.00 0.00 ATOM 345 OE1 GLU 53 -0.990 34.044 7.862 1.00 0.00 ATOM 346 OE2 GLU 53 0.948 33.687 6.820 1.00 0.00 ATOM 347 O GLU 53 -1.622 28.757 8.172 1.00 0.00 ATOM 348 C GLU 53 -1.554 29.834 8.755 1.00 0.00 ATOM 349 N ILE 54 -0.698 30.044 9.755 1.00 0.00 ATOM 350 CA ILE 54 0.200 28.966 10.196 1.00 0.00 ATOM 351 CB ILE 54 1.275 29.442 11.158 1.00 0.00 ATOM 352 CG1 ILE 54 2.190 30.464 10.465 1.00 0.00 ATOM 353 CG2 ILE 54 2.083 28.258 11.708 1.00 0.00 ATOM 354 CD1 ILE 54 3.267 31.064 11.369 1.00 0.00 ATOM 355 O ILE 54 -1.490 28.142 11.707 1.00 0.00 ATOM 356 C ILE 54 -0.638 27.871 10.836 1.00 0.00 ATOM 357 N ASP 55 -0.434 26.644 10.379 1.00 0.00 ATOM 358 CA ASP 55 -1.183 25.493 10.859 1.00 0.00 ATOM 359 CB ASP 55 -1.959 24.937 9.676 1.00 0.00 ATOM 360 CG ASP 55 -2.703 23.656 9.983 1.00 0.00 ATOM 361 OD1 ASP 55 -2.433 22.973 10.991 1.00 0.00 ATOM 362 OD2 ASP 55 -3.556 23.309 9.144 1.00 0.00 ATOM 363 O ASP 55 0.643 23.939 10.605 1.00 0.00 ATOM 364 C ASP 55 -0.174 24.469 11.381 1.00 0.00 ATOM 365 N LEU 56 -0.211 24.191 12.682 1.00 0.00 ATOM 366 CA LEU 56 0.796 23.303 13.307 1.00 0.00 ATOM 367 CB LEU 56 0.630 23.323 14.811 1.00 0.00 ATOM 368 CG LEU 56 0.914 24.658 15.491 1.00 0.00 ATOM 369 CD1 LEU 56 0.413 24.595 16.917 1.00 0.00 ATOM 370 CD2 LEU 56 2.398 24.992 15.451 1.00 0.00 ATOM 371 O LEU 56 1.826 21.172 12.996 1.00 0.00 ATOM 372 C LEU 56 0.839 21.849 12.786 1.00 0.00 ATOM 373 N SER 57 -0.227 21.376 12.128 1.00 0.00 ATOM 374 CA SER 57 -0.235 20.033 11.525 1.00 0.00 ATOM 375 CB SER 57 -1.601 19.354 11.714 1.00 0.00 ATOM 376 OG SER 57 -2.604 20.130 11.050 1.00 0.00 ATOM 377 O SER 57 0.238 18.901 9.470 1.00 0.00 ATOM 378 C SER 57 0.064 19.989 10.014 1.00 0.00 ATOM 379 N THR 58 0.136 21.155 9.375 1.00 0.00 ATOM 380 CA THR 58 0.245 21.273 7.931 1.00 0.00 ATOM 381 CB THR 58 -1.004 21.972 7.370 1.00 0.00 ATOM 382 CG2 THR 58 -0.930 22.115 5.864 1.00 0.00 ATOM 383 OG1 THR 58 -2.177 21.209 7.718 1.00 0.00 ATOM 384 O THR 58 2.149 21.612 6.459 1.00 0.00 ATOM 385 C THR 58 1.552 21.979 7.468 1.00 0.00 ATOM 386 N ASN 59 1.983 22.988 8.212 1.00 0.00 ATOM 387 CA ASN 59 3.279 23.679 7.950 1.00 0.00 ATOM 388 CB ASN 59 3.440 24.957 8.751 1.00 0.00 ATOM 389 CG ASN 59 2.689 26.077 8.129 1.00 0.00 ATOM 390 ND2 ASN 59 3.380 26.892 7.334 1.00 0.00 ATOM 391 OD1 ASN 59 1.478 26.199 8.318 1.00 0.00 ATOM 392 O ASN 59 4.351 21.844 9.023 1.00 0.00 ATOM 393 C ASN 59 4.443 22.764 8.204 1.00 0.00 ATOM 394 N LYS 60 5.515 22.975 7.446 1.00 0.00 ATOM 395 CA LYS 60 6.774 22.294 7.700 1.00 0.00 ATOM 396 CB LYS 60 7.686 22.397 6.477 1.00 0.00 ATOM 397 CG LYS 60 7.240 21.413 5.374 1.00 0.00 ATOM 398 CD LYS 60 8.387 20.792 4.684 1.00 0.00 ATOM 399 CE LYS 60 7.956 20.044 3.461 1.00 0.00 ATOM 400 NZ LYS 60 8.826 20.550 2.338 1.00 0.00 ATOM 401 O LYS 60 7.358 24.225 8.965 1.00 0.00 ATOM 402 C LYS 60 7.398 23.003 8.892 1.00 0.00 ATOM 403 N ILE 61 7.915 22.240 9.843 1.00 0.00 ATOM 404 CA ILE 61 8.581 22.817 11.011 1.00 0.00 ATOM 405 CB ILE 61 7.692 22.855 12.319 1.00 0.00 ATOM 406 CG1 ILE 61 6.372 23.608 12.062 1.00 0.00 ATOM 407 CG2 ILE 61 8.450 23.611 13.450 1.00 0.00 ATOM 408 CD1 ILE 61 5.287 23.359 13.164 1.00 0.00 ATOM 409 O ILE 61 9.744 20.788 11.518 1.00 0.00 ATOM 410 C ILE 61 9.808 21.998 11.316 1.00 0.00 ATOM 411 N GLY 62 10.949 22.659 11.310 1.00 0.00 ATOM 412 CA GLY 62 12.198 21.989 11.650 1.00 0.00 ATOM 413 O GLY 62 12.628 23.992 12.873 1.00 0.00 ATOM 414 C GLY 62 12.998 22.844 12.593 1.00 0.00 ATOM 415 N ILE 63 14.069 22.269 13.117 1.00 0.00 ATOM 416 CA ILE 63 14.862 22.929 14.135 1.00 0.00 ATOM 417 CB ILE 63 14.837 22.119 15.456 1.00 0.00 ATOM 418 CG1 ILE 63 13.413 21.892 16.015 1.00 0.00 ATOM 419 CG2 ILE 63 15.790 22.665 16.522 1.00 0.00 ATOM 420 CD1 ILE 63 12.641 23.131 16.324 1.00 0.00 ATOM 421 O ILE 63 16.857 21.824 13.366 1.00 0.00 ATOM 422 C ILE 63 16.290 22.899 13.619 1.00 0.00 ATOM 423 N PHE 64 16.886 24.078 13.511 1.00 0.00 ATOM 424 CA PHE 64 18.303 24.156 13.206 1.00 0.00 ATOM 425 CB PHE 64 18.596 25.356 12.265 1.00 0.00 ATOM 426 CG PHE 64 20.074 25.543 12.020 1.00 0.00 ATOM 427 CD1 PHE 64 20.764 24.654 11.193 1.00 0.00 ATOM 428 CD2 PHE 64 20.786 26.544 12.680 1.00 0.00 ATOM 429 CE1 PHE 64 22.138 24.782 10.996 1.00 0.00 ATOM 430 CE2 PHE 64 22.165 26.685 12.473 1.00 0.00 ATOM 431 CZ PHE 64 22.834 25.789 11.636 1.00 0.00 ATOM 432 O PHE 64 18.848 25.158 15.327 1.00 0.00 ATOM 433 C PHE 64 19.116 24.273 14.499 1.00 0.00 ATOM 434 N SER 65 20.081 23.381 14.689 1.00 0.00 ATOM 435 CA SER 65 20.946 23.383 15.870 1.00 0.00 ATOM 436 CB SER 65 20.857 22.049 16.612 1.00 0.00 ATOM 437 OG SER 65 19.535 21.840 17.115 1.00 0.00 ATOM 438 O SER 65 22.882 22.892 14.550 1.00 0.00 ATOM 439 C SER 65 22.433 23.561 15.463 1.00 0.00 ATOM 440 N ARG 66 23.153 24.423 16.193 1.00 0.00 ATOM 441 CA ARG 66 24.596 24.635 16.015 1.00 0.00 ATOM 442 CB ARG 66 24.880 25.521 14.790 1.00 0.00 ATOM 443 CG ARG 66 26.377 25.675 14.478 1.00 0.00 ATOM 444 CD ARG 66 26.618 26.860 13.568 1.00 0.00 ATOM 445 NE ARG 66 27.900 27.509 13.856 1.00 0.00 ATOM 446 CZ ARG 66 28.452 28.450 13.096 1.00 0.00 ATOM 447 NH1 ARG 66 29.614 28.981 13.434 1.00 0.00 ATOM 448 NH2 ARG 66 27.845 28.847 11.990 1.00 0.00 ATOM 449 O ARG 66 24.535 26.265 17.750 1.00 0.00 ATOM 450 C ARG 66 25.153 25.314 17.261 1.00 0.00 ATOM 451 N PRO 67 26.317 24.819 17.797 1.00 0.00 ATOM 452 CA PRO 67 27.219 23.627 17.528 1.00 0.00 ATOM 453 CB PRO 67 28.360 23.770 18.559 1.00 0.00 ATOM 454 CG PRO 67 27.752 24.656 19.675 1.00 0.00 ATOM 455 CD PRO 67 26.868 25.654 18.896 1.00 0.00 ATOM 456 O PRO 67 25.557 22.413 18.699 1.00 0.00 ATOM 457 C PRO 67 26.329 22.431 17.744 1.00 0.00 ATOM 458 N ILE 68 26.448 21.377 16.955 1.00 0.00 ATOM 459 CA ILE 68 26.525 19.994 17.380 1.00 0.00 ATOM 460 CB ILE 68 25.727 19.168 16.293 1.00 0.00 ATOM 461 CG1 ILE 68 26.438 19.124 14.938 1.00 0.00 ATOM 462 CG2 ILE 68 24.394 19.888 15.986 1.00 0.00 ATOM 463 CD1 ILE 68 27.601 18.101 14.798 1.00 0.00 ATOM 464 O ILE 68 28.834 19.851 17.818 1.00 0.00 ATOM 465 C ILE 68 27.758 19.278 17.826 1.00 0.00 ATOM 466 N LYS 69 27.571 18.020 18.227 1.00 0.00 ATOM 467 CA LYS 69 28.689 17.132 18.570 1.00 0.00 ATOM 468 CB LYS 69 28.524 16.549 19.985 1.00 0.00 ATOM 469 CG LYS 69 28.523 17.659 21.074 1.00 0.00 ATOM 470 CD LYS 69 28.173 17.102 22.432 1.00 0.00 ATOM 471 CE LYS 69 28.142 18.227 23.477 1.00 0.00 ATOM 472 NZ LYS 69 27.698 17.662 24.806 1.00 0.00 ATOM 473 O LYS 69 27.890 15.428 17.052 1.00 0.00 ATOM 474 C LYS 69 28.883 16.016 17.555 1.00 0.00 ATOM 475 N LEU 70 30.154 15.714 17.262 1.00 0.00 ATOM 476 CA LEU 70 30.473 14.640 16.317 1.00 0.00 ATOM 477 CB LEU 70 31.970 14.527 16.012 1.00 0.00 ATOM 478 CG LEU 70 32.482 15.727 15.187 1.00 0.00 ATOM 479 CD1 LEU 70 33.983 15.584 14.920 1.00 0.00 ATOM 480 CD2 LEU 70 31.748 15.806 13.838 1.00 0.00 ATOM 481 O LEU 70 29.714 12.402 16.050 1.00 0.00 ATOM 482 C LEU 70 29.928 13.340 16.819 1.00 0.00 ATOM 483 N THR 71 29.682 13.293 18.119 1.00 0.00 ATOM 484 CA THR 71 29.131 12.064 18.740 1.00 0.00 ATOM 485 CB THR 71 29.597 11.912 20.211 1.00 0.00 ATOM 486 CG2 THR 71 31.105 11.607 20.275 1.00 0.00 ATOM 487 OG1 THR 71 29.299 13.121 20.924 1.00 0.00 ATOM 488 O THR 71 27.054 10.903 19.041 1.00 0.00 ATOM 489 C THR 71 27.593 11.967 18.736 1.00 0.00 ATOM 490 N ASP 72 26.895 13.058 18.402 1.00 0.00 ATOM 491 CA ASP 72 25.432 13.017 18.273 1.00 0.00 ATOM 492 CB ASP 72 24.890 14.374 17.807 1.00 0.00 ATOM 493 CG ASP 72 25.031 15.461 18.880 1.00 0.00 ATOM 494 OD1 ASP 72 25.292 15.112 20.061 1.00 0.00 ATOM 495 OD2 ASP 72 24.870 16.669 18.573 1.00 0.00 ATOM 496 O ASP 72 25.523 11.587 16.272 1.00 0.00 ATOM 497 C ASP 72 24.944 11.875 17.356 1.00 0.00 ATOM 498 N VAL 73 23.894 11.194 17.813 1.00 0.00 ATOM 499 CA VAL 73 23.341 10.085 17.058 1.00 0.00 ATOM 500 CB VAL 73 22.730 8.982 17.999 1.00 0.00 ATOM 501 CG1 VAL 73 22.122 7.857 17.201 1.00 0.00 ATOM 502 CG2 VAL 73 23.820 8.425 18.942 1.00 0.00 ATOM 503 O VAL 73 21.468 11.515 16.493 1.00 0.00 ATOM 504 C VAL 73 22.309 10.702 16.096 1.00 0.00 ATOM 505 N LEU 74 22.423 10.357 14.823 1.00 0.00 ATOM 506 CA LEU 74 21.535 10.913 13.799 1.00 0.00 ATOM 507 CB LEU 74 22.103 10.582 12.421 1.00 0.00 ATOM 508 CG LEU 74 23.376 11.386 12.090 1.00 0.00 ATOM 509 CD1 LEU 74 24.077 10.852 10.824 1.00 0.00 ATOM 510 CD2 LEU 74 23.065 12.898 11.968 1.00 0.00 ATOM 511 O LEU 74 19.938 9.193 14.290 1.00 0.00 ATOM 512 C LEU 74 20.115 10.358 13.937 1.00 0.00 ATOM 513 N LYS 75 19.130 11.214 13.663 1.00 0.00 ATOM 514 CA LYS 75 17.723 10.838 13.573 1.00 0.00 ATOM 515 CB LYS 75 16.883 11.811 14.419 1.00 0.00 ATOM 516 CG LYS 75 17.153 11.767 15.918 1.00 0.00 ATOM 517 CD LYS 75 16.161 12.694 16.645 1.00 0.00 ATOM 518 CE LYS 75 15.910 12.183 18.097 1.00 0.00 ATOM 519 NZ LYS 75 14.981 10.985 18.100 1.00 0.00 ATOM 520 O LYS 75 17.808 11.660 11.285 1.00 0.00 ATOM 521 C LYS 75 17.232 10.916 12.128 1.00 0.00 ATOM 522 N GLU 76 16.152 10.187 11.838 1.00 0.00 ATOM 523 CA GLU 76 15.500 10.231 10.521 1.00 0.00 ATOM 524 CB GLU 76 14.150 9.481 10.550 1.00 0.00 ATOM 525 CG GLU 76 13.207 9.793 9.327 1.00 0.00 ATOM 526 CD GLU 76 13.692 9.185 7.990 1.00 0.00 ATOM 527 OE1 GLU 76 14.244 8.078 8.016 1.00 0.00 ATOM 528 OE2 GLU 76 13.499 9.811 6.915 1.00 0.00 ATOM 529 O GLU 76 14.821 12.540 10.767 1.00 0.00 ATOM 530 C GLU 76 15.317 11.675 10.038 1.00 0.00 ATOM 531 N GLY 77 15.773 11.951 8.825 1.00 0.00 ATOM 532 CA GLY 77 15.650 13.288 8.249 1.00 0.00 ATOM 533 O GLY 77 16.492 15.510 8.407 1.00 0.00 ATOM 534 C GLY 77 16.645 14.338 8.747 1.00 0.00 ATOM 535 N ASP 78 17.640 13.956 9.549 1.00 0.00 ATOM 536 CA ASP 78 18.675 14.948 9.950 1.00 0.00 ATOM 537 CB ASP 78 19.606 14.380 11.033 1.00 0.00 ATOM 538 CG ASP 78 19.054 14.558 12.459 1.00 0.00 ATOM 539 OD1 ASP 78 18.039 15.277 12.640 1.00 0.00 ATOM 540 OD2 ASP 78 19.661 13.990 13.415 1.00 0.00 ATOM 541 O ASP 78 19.930 14.537 7.940 1.00 0.00 ATOM 542 C ASP 78 19.510 15.370 8.731 1.00 0.00 ATOM 543 N ARG 79 19.685 16.676 8.560 1.00 0.00 ATOM 544 CA ARG 79 20.609 17.159 7.557 1.00 0.00 ATOM 545 CB ARG 79 19.978 18.206 6.630 1.00 0.00 ATOM 546 CG ARG 79 20.966 18.701 5.596 1.00 0.00 ATOM 547 CD ARG 79 20.340 19.677 4.626 1.00 0.00 ATOM 548 NE ARG 79 19.901 20.926 5.274 1.00 0.00 ATOM 549 CZ ARG 79 18.659 21.420 5.224 1.00 0.00 ATOM 550 NH1 ARG 79 17.687 20.767 4.573 1.00 0.00 ATOM 551 NH2 ARG 79 18.384 22.586 5.815 1.00 0.00 ATOM 552 O ARG 79 21.765 18.767 8.950 1.00 0.00 ATOM 553 C ARG 79 21.842 17.740 8.249 1.00 0.00 ATOM 554 N ILE 80 22.986 17.100 8.015 1.00 0.00 ATOM 555 CA ILE 80 24.274 17.604 8.514 1.00 0.00 ATOM 556 CB ILE 80 25.332 16.511 8.536 1.00 0.00 ATOM 557 CG1 ILE 80 24.916 15.363 9.454 1.00 0.00 ATOM 558 CG2 ILE 80 26.735 17.119 9.045 1.00 0.00 ATOM 559 CD1 ILE 80 25.705 14.063 9.146 1.00 0.00 ATOM 560 O ILE 80 24.954 18.486 6.436 1.00 0.00 ATOM 561 C ILE 80 24.768 18.712 7.618 1.00 0.00 ATOM 562 N GLU 81 24.964 19.927 8.148 1.00 0.00 ATOM 563 CA GLU 81 25.499 20.982 7.318 1.00 0.00 ATOM 564 CB GLU 81 24.658 22.275 7.446 1.00 0.00 ATOM 565 CG GLU 81 23.155 21.975 7.239 1.00 0.00 ATOM 566 CD GLU 81 22.305 23.209 7.048 1.00 0.00 ATOM 567 OE1 GLU 81 22.773 24.355 7.343 1.00 0.00 ATOM 568 OE2 GLU 81 21.126 23.002 6.679 1.00 0.00 ATOM 569 O GLU 81 27.121 21.693 8.900 1.00 0.00 ATOM 570 C GLU 81 26.940 21.272 7.777 1.00 0.00 ATOM 571 N ILE 82 27.914 21.089 6.883 1.00 0.00 ATOM 572 CA ILE 82 29.323 21.391 7.151 1.00 0.00 ATOM 573 CB ILE 82 30.252 20.290 6.552 1.00 0.00 ATOM 574 CG1 ILE 82 29.887 18.910 7.116 1.00 0.00 ATOM 575 CG2 ILE 82 31.715 20.593 6.865 1.00 0.00 ATOM 576 CD1 ILE 82 30.390 17.759 6.264 1.00 0.00 ATOM 577 O ILE 82 29.345 22.965 5.361 1.00 0.00 ATOM 578 C ILE 82 29.606 22.764 6.524 1.00 0.00 ATOM 579 N TYR 83 30.088 23.730 7.311 1.00 0.00 ATOM 580 CA TYR 83 30.305 25.084 6.779 1.00 0.00 ATOM 581 CB TYR 83 29.905 26.138 7.822 1.00 0.00 ATOM 582 CG TYR 83 28.453 25.992 8.127 1.00 0.00 ATOM 583 CD1 TYR 83 28.038 25.465 9.322 1.00 0.00 ATOM 584 CD2 TYR 83 27.493 26.278 7.150 1.00 0.00 ATOM 585 CE1 TYR 83 26.716 25.242 9.564 1.00 0.00 ATOM 586 CE2 TYR 83 26.152 26.059 7.390 1.00 0.00 ATOM 587 CZ TYR 83 25.799 25.528 8.591 1.00 0.00 ATOM 588 OH TYR 83 24.508 25.354 8.835 1.00 0.00 ATOM 589 O TYR 83 32.663 24.761 6.939 1.00 0.00 ATOM 590 C TYR 83 31.756 25.305 6.339 1.00 0.00 ATOM 591 N ARG 84 31.958 26.119 5.305 1.00 0.00 ATOM 592 CA ARG 84 33.316 26.632 5.012 1.00 0.00 ATOM 593 CB ARG 84 33.434 27.040 3.528 1.00 0.00 ATOM 594 CG ARG 84 33.781 25.868 2.630 1.00 0.00 ATOM 595 CD ARG 84 33.355 26.028 1.194 1.00 0.00 ATOM 596 NE ARG 84 34.291 26.818 0.382 1.00 0.00 ATOM 597 CZ ARG 84 35.350 26.350 -0.300 1.00 0.00 ATOM 598 NH1 ARG 84 36.071 27.210 -0.990 1.00 0.00 ATOM 599 NH2 ARG 84 35.703 25.062 -0.308 1.00 0.00 ATOM 600 O ARG 84 32.866 28.700 6.168 1.00 0.00 ATOM 601 C ARG 84 33.672 27.783 5.982 1.00 0.00 ATOM 602 N PRO 85 34.853 27.712 6.649 1.00 0.00 ATOM 603 CA PRO 85 35.310 28.818 7.542 1.00 0.00 ATOM 604 CB PRO 85 36.772 28.453 7.853 1.00 0.00 ATOM 605 CG PRO 85 36.811 26.957 7.727 1.00 0.00 ATOM 606 CD PRO 85 35.827 26.598 6.613 1.00 0.00 ATOM 607 O PRO 85 35.580 30.346 5.696 1.00 0.00 ATOM 608 C PRO 85 35.245 30.209 6.876 1.00 0.00 ATOM 609 N LEU 86 34.808 31.207 7.641 1.00 0.00 ATOM 610 CA LEU 86 34.607 32.585 7.155 1.00 0.00 ATOM 611 CB LEU 86 33.796 33.385 8.186 1.00 0.00 ATOM 612 CG LEU 86 32.474 32.797 8.695 1.00 0.00 ATOM 613 CD1 LEU 86 32.196 33.268 10.129 1.00 0.00 ATOM 614 CD2 LEU 86 31.301 33.118 7.743 1.00 0.00 ATOM 615 O LEU 86 36.976 32.984 7.438 1.00 0.00 ATOM 616 C LEU 86 35.929 33.322 6.865 1.00 0.00 ATOM 617 N LEU 87 35.893 34.345 6.006 1.00 0.00 ATOM 618 CA LEU 87 34.657 34.873 5.409 1.00 0.00 ATOM 619 CB LEU 87 34.573 36.408 5.591 1.00 0.00 ATOM 620 CG LEU 87 34.000 36.944 6.915 1.00 0.00 ATOM 621 CD1 LEU 87 35.080 37.138 7.998 1.00 0.00 ATOM 622 CD2 LEU 87 33.222 38.256 6.683 1.00 0.00 ATOM 623 O LEU 87 34.574 35.321 3.039 1.00 0.00 ATOM 624 C LEU 87 34.522 34.473 3.938 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 T0363.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0363)S45.C and (T0363)I47.C only 0.000 apart, marking (T0363)I47.C as missing WARNING: atoms too close: (T0363)G46.N and (T0363)L48.N only 0.000 apart, marking (T0363)G46.N as missing WARNING: atoms too close: (T0363)G46.CA and (T0363)L48.CA only 0.000 apart, marking (T0363)G46.CA as missing # WARNING: incomplete conformation T0363 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 = 0.896 # GDT_score = -46.429 # GDT_score(maxd=8.000,maxw=2.900)= -48.254 # GDT_score(maxd=8.000,maxw=3.200)= -45.951 # GDT_score(maxd=8.000,maxw=3.500)= -43.506 # GDT_score(maxd=10.000,maxw=3.800)= -45.532 # GDT_score(maxd=10.000,maxw=4.000)= -43.939 # GDT_score(maxd=10.000,maxw=4.200)= -42.428 # GDT_score(maxd=12.000,maxw=4.300)= -45.343 # GDT_score(maxd=12.000,maxw=4.500)= -43.859 # GDT_score(maxd=12.000,maxw=4.700)= -42.490 # GDT_score(maxd=14.000,maxw=5.200)= -42.287 # GDT_score(maxd=14.000,maxw=5.500)= -40.482 # command:# ReadConformPDB reading from PDB file T0363.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0363)Y25.C and (T0363)Y26.C only 0.000 apart, marking (T0363)Y26.C as missing WARNING: atoms too close: (T0363)Y26.N and (T0363)L27.N only 0.000 apart, marking (T0363)Y26.N as missing WARNING: atoms too close: (T0363)Y26.CA and (T0363)L27.CA only 0.000 apart, marking (T0363)Y26.CA as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.532 # GDT_score = -34.740 # GDT_score(maxd=8.000,maxw=2.900)= -33.957 # GDT_score(maxd=8.000,maxw=3.200)= -32.360 # GDT_score(maxd=8.000,maxw=3.500)= -30.819 # GDT_score(maxd=10.000,maxw=3.800)= -32.787 # GDT_score(maxd=10.000,maxw=4.000)= -31.862 # GDT_score(maxd=10.000,maxw=4.200)= -31.025 # GDT_score(maxd=12.000,maxw=4.300)= -33.019 # GDT_score(maxd=12.000,maxw=4.500)= -32.186 # GDT_score(maxd=12.000,maxw=4.700)= -31.425 # GDT_score(maxd=14.000,maxw=5.200)= -31.396 # GDT_score(maxd=14.000,maxw=5.500)= -30.328 # command:# ReadConformPDB reading from PDB file T0363.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0363)Y25.C and (T0363)Y26.C only 0.000 apart, marking (T0363)Y26.C as missing WARNING: atoms too close: (T0363)Y26.N and (T0363)L27.N only 0.000 apart, marking (T0363)Y26.N as missing WARNING: atoms too close: (T0363)Y26.CA and (T0363)L27.CA only 0.000 apart, marking (T0363)Y26.CA as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0363.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0363.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0363)E23.C and (T0363)L27.C only 0.000 apart, marking (T0363)L27.C as missing WARNING: atoms too close: (T0363)R24.N and (T0363)K28.N only 0.000 apart, marking (T0363)R24.N as missing WARNING: atoms too close: (T0363)R24.CA and (T0363)K28.CA only 0.000 apart, marking (T0363)R24.CA as missing WARNING: atoms too close: (T0363)S45.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)G46.N and (T0363)E53.N only 0.000 apart, marking (T0363)G46.N as missing WARNING: atoms too close: (T0363)G46.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)G46.CA as missing # WARNING: incomplete conformation T0363 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 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try12-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0363.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0363.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0363.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model10.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model2.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model3.pdb.gz looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model4.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model5.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model6.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model7.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model8.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model9.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_593878638.pdb -s /var/tmp/to_scwrl_593878638.seq -o /var/tmp/from_scwrl_593878638.pdb > /var/tmp/scwrl_593878638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_593878638.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1989088732.pdb -s /var/tmp/to_scwrl_1989088732.seq -o /var/tmp/from_scwrl_1989088732.pdb > /var/tmp/scwrl_1989088732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989088732.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_927700613.pdb -s /var/tmp/to_scwrl_927700613.seq -o /var/tmp/from_scwrl_927700613.pdb > /var/tmp/scwrl_927700613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927700613.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_350317820.pdb -s /var/tmp/to_scwrl_350317820.seq -o /var/tmp/from_scwrl_350317820.pdb > /var/tmp/scwrl_350317820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_350317820.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1969573415.pdb -s /var/tmp/to_scwrl_1969573415.seq -o /var/tmp/from_scwrl_1969573415.pdb > /var/tmp/scwrl_1969573415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969573415.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1414684185.pdb -s /var/tmp/to_scwrl_1414684185.seq -o /var/tmp/from_scwrl_1414684185.pdb > /var/tmp/scwrl_1414684185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414684185.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2133010583.pdb -s /var/tmp/to_scwrl_2133010583.seq -o /var/tmp/from_scwrl_2133010583.pdb > /var/tmp/scwrl_2133010583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2133010583.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_804824069.pdb -s /var/tmp/to_scwrl_804824069.seq -o /var/tmp/from_scwrl_804824069.pdb > /var/tmp/scwrl_804824069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804824069.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_233685768.pdb -s /var/tmp/to_scwrl_233685768.seq -o /var/tmp/from_scwrl_233685768.pdb > /var/tmp/scwrl_233685768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233685768.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2033247764.pdb -s /var/tmp/to_scwrl_2033247764.seq -o /var/tmp/from_scwrl_2033247764.pdb > /var/tmp/scwrl_2033247764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033247764.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1630311063.pdb -s /var/tmp/to_scwrl_1630311063.seq -o /var/tmp/from_scwrl_1630311063.pdb > /var/tmp/scwrl_1630311063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630311063.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_714444010.pdb -s /var/tmp/to_scwrl_714444010.seq -o /var/tmp/from_scwrl_714444010.pdb > /var/tmp/scwrl_714444010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714444010.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_850427975.pdb -s /var/tmp/to_scwrl_850427975.seq -o /var/tmp/from_scwrl_850427975.pdb > /var/tmp/scwrl_850427975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_850427975.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1806728258.pdb -s /var/tmp/to_scwrl_1806728258.seq -o /var/tmp/from_scwrl_1806728258.pdb > /var/tmp/scwrl_1806728258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806728258.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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_56034440.pdb -s /var/tmp/to_scwrl_56034440.seq -o /var/tmp/from_scwrl_56034440.pdb > /var/tmp/scwrl_56034440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56034440.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 72 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_274387398.pdb -s /var/tmp/to_scwrl_274387398.seq -o /var/tmp/from_scwrl_274387398.pdb > /var/tmp/scwrl_274387398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_274387398.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 # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1803900170.pdb -s /var/tmp/to_scwrl_1803900170.seq -o /var/tmp/from_scwrl_1803900170.pdb > /var/tmp/scwrl_1803900170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803900170.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 38 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1908131459.pdb -s /var/tmp/to_scwrl_1908131459.seq -o /var/tmp/from_scwrl_1908131459.pdb > /var/tmp/scwrl_1908131459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908131459.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 83 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2081139844.pdb -s /var/tmp/to_scwrl_2081139844.seq -o /var/tmp/from_scwrl_2081139844.pdb > /var/tmp/scwrl_2081139844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081139844.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 # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_753463524.pdb -s /var/tmp/to_scwrl_753463524.seq -o /var/tmp/from_scwrl_753463524.pdb > /var/tmp/scwrl_753463524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753463524.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 83 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1032481218.pdb -s /var/tmp/to_scwrl_1032481218.seq -o /var/tmp/from_scwrl_1032481218.pdb > /var/tmp/scwrl_1032481218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032481218.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 84 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1991411016.pdb -s /var/tmp/to_scwrl_1991411016.seq -o /var/tmp/from_scwrl_1991411016.pdb > /var/tmp/scwrl_1991411016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1991411016.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 87 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1592408678.pdb -s /var/tmp/to_scwrl_1592408678.seq -o /var/tmp/from_scwrl_1592408678.pdb > /var/tmp/scwrl_1592408678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592408678.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 68 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_653364488.pdb -s /var/tmp/to_scwrl_653364488.seq -o /var/tmp/from_scwrl_653364488.pdb > /var/tmp/scwrl_653364488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653364488.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 83 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_327312075.pdb -s /var/tmp/to_scwrl_327312075.seq -o /var/tmp/from_scwrl_327312075.pdb > /var/tmp/scwrl_327312075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_327312075.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 88 ; scwrl3 -i /var/tmp/to_scwrl_321440471.pdb -s /var/tmp/to_scwrl_321440471.seq -o /var/tmp/from_scwrl_321440471.pdb > /var/tmp/scwrl_321440471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321440471.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_337896267.pdb -s /var/tmp/to_scwrl_337896267.seq -o /var/tmp/from_scwrl_337896267.pdb > /var/tmp/scwrl_337896267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337896267.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_969564413.pdb -s /var/tmp/to_scwrl_969564413.seq -o /var/tmp/from_scwrl_969564413.pdb > /var/tmp/scwrl_969564413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969564413.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 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_420649933.pdb -s /var/tmp/to_scwrl_420649933.seq -o /var/tmp/from_scwrl_420649933.pdb > /var/tmp/scwrl_420649933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420649933.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_679007302.pdb -s /var/tmp/to_scwrl_679007302.seq -o /var/tmp/from_scwrl_679007302.pdb > /var/tmp/scwrl_679007302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679007302.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 T0363 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1861468534.pdb -s /var/tmp/to_scwrl_1861468534.seq -o /var/tmp/from_scwrl_1861468534.pdb > /var/tmp/scwrl_1861468534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861468534.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 T0363 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1014528571.pdb -s /var/tmp/to_scwrl_1014528571.seq -o /var/tmp/from_scwrl_1014528571.pdb > /var/tmp/scwrl_1014528571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014528571.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 T0363 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_520612387.pdb -s /var/tmp/to_scwrl_520612387.seq -o /var/tmp/from_scwrl_520612387.pdb > /var/tmp/scwrl_520612387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520612387.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 T0363 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_641685501.pdb -s /var/tmp/to_scwrl_641685501.seq -o /var/tmp/from_scwrl_641685501.pdb > /var/tmp/scwrl_641685501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641685501.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1364846391.pdb -s /var/tmp/to_scwrl_1364846391.seq -o /var/tmp/from_scwrl_1364846391.pdb > /var/tmp/scwrl_1364846391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1364846391.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 T0363 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_342702155.pdb -s /var/tmp/to_scwrl_342702155.seq -o /var/tmp/from_scwrl_342702155.pdb > /var/tmp/scwrl_342702155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_342702155.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 T0363 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2056369686.pdb -s /var/tmp/to_scwrl_2056369686.seq -o /var/tmp/from_scwrl_2056369686.pdb > /var/tmp/scwrl_2056369686.log Error: Couldn't open file /var/tmp/from_scwrl_2056369686.pdb or /var/tmp/from_scwrl_2056369686.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2056369686_b.pdb or decoys//var/tmp/from_scwrl_2056369686_b.pdb.gz for input Trying /var/tmp/from_scwrl_2056369686_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2056369686_b.pdb or /var/tmp/from_scwrl_2056369686_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2056369686_a.pdb or decoys//var/tmp/from_scwrl_2056369686_a.pdb.gz for input Trying /var/tmp/from_scwrl_2056369686_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2056369686_a.pdb or /var/tmp/from_scwrl_2056369686_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2056369686.pdb or /var/tmp/from_scwrl_2056369686_b.pdb or /var/tmp/from_scwrl_2056369686_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 T0363 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1350373327.pdb -s /var/tmp/to_scwrl_1350373327.seq -o /var/tmp/from_scwrl_1350373327.pdb > /var/tmp/scwrl_1350373327.log Error: Couldn't open file /var/tmp/from_scwrl_1350373327.pdb or /var/tmp/from_scwrl_1350373327.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350373327_b.pdb or decoys//var/tmp/from_scwrl_1350373327_b.pdb.gz for input Trying /var/tmp/from_scwrl_1350373327_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350373327_b.pdb or /var/tmp/from_scwrl_1350373327_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350373327_a.pdb or decoys//var/tmp/from_scwrl_1350373327_a.pdb.gz for input Trying /var/tmp/from_scwrl_1350373327_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350373327_a.pdb or /var/tmp/from_scwrl_1350373327_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1350373327.pdb or /var/tmp/from_scwrl_1350373327_b.pdb or /var/tmp/from_scwrl_1350373327_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 T0363 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1147526224.pdb -s /var/tmp/to_scwrl_1147526224.seq -o /var/tmp/from_scwrl_1147526224.pdb > /var/tmp/scwrl_1147526224.log Error: Couldn't open file /var/tmp/from_scwrl_1147526224.pdb or /var/tmp/from_scwrl_1147526224.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1147526224_b.pdb or decoys//var/tmp/from_scwrl_1147526224_b.pdb.gz for input Trying /var/tmp/from_scwrl_1147526224_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1147526224_b.pdb or /var/tmp/from_scwrl_1147526224_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1147526224_a.pdb or decoys//var/tmp/from_scwrl_1147526224_a.pdb.gz for input Trying /var/tmp/from_scwrl_1147526224_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1147526224_a.pdb or /var/tmp/from_scwrl_1147526224_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1147526224.pdb or /var/tmp/from_scwrl_1147526224_b.pdb or /var/tmp/from_scwrl_1147526224_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 T0363 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_142571807.pdb -s /var/tmp/to_scwrl_142571807.seq -o /var/tmp/from_scwrl_142571807.pdb > /var/tmp/scwrl_142571807.log Error: Couldn't open file /var/tmp/from_scwrl_142571807.pdb or /var/tmp/from_scwrl_142571807.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_142571807_b.pdb or decoys//var/tmp/from_scwrl_142571807_b.pdb.gz for input Trying /var/tmp/from_scwrl_142571807_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_142571807_b.pdb or /var/tmp/from_scwrl_142571807_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_142571807_a.pdb or decoys//var/tmp/from_scwrl_142571807_a.pdb.gz for input Trying /var/tmp/from_scwrl_142571807_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_142571807_a.pdb or /var/tmp/from_scwrl_142571807_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_142571807.pdb or /var/tmp/from_scwrl_142571807_b.pdb or /var/tmp/from_scwrl_142571807_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 T0363 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1236137444.pdb -s /var/tmp/to_scwrl_1236137444.seq -o /var/tmp/from_scwrl_1236137444.pdb > /var/tmp/scwrl_1236137444.log Error: Couldn't open file /var/tmp/from_scwrl_1236137444.pdb or /var/tmp/from_scwrl_1236137444.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1236137444_b.pdb or decoys//var/tmp/from_scwrl_1236137444_b.pdb.gz for input Trying /var/tmp/from_scwrl_1236137444_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1236137444_b.pdb or /var/tmp/from_scwrl_1236137444_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1236137444_a.pdb or decoys//var/tmp/from_scwrl_1236137444_a.pdb.gz for input Trying /var/tmp/from_scwrl_1236137444_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1236137444_a.pdb or /var/tmp/from_scwrl_1236137444_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1236137444.pdb or /var/tmp/from_scwrl_1236137444_b.pdb or /var/tmp/from_scwrl_1236137444_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 89 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_630353641.pdb -s /var/tmp/to_scwrl_630353641.seq -o /var/tmp/from_scwrl_630353641.pdb > /var/tmp/scwrl_630353641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630353641.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 93 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_857015817.pdb -s /var/tmp/to_scwrl_857015817.seq -o /var/tmp/from_scwrl_857015817.pdb > /var/tmp/scwrl_857015817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857015817.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 T0363 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2086565419.pdb -s /var/tmp/to_scwrl_2086565419.seq -o /var/tmp/from_scwrl_2086565419.pdb > /var/tmp/scwrl_2086565419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086565419.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_289598252.pdb -s /var/tmp/to_scwrl_289598252.seq -o /var/tmp/from_scwrl_289598252.pdb > /var/tmp/scwrl_289598252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289598252.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 T0363 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_913050258.pdb -s /var/tmp/to_scwrl_913050258.seq -o /var/tmp/from_scwrl_913050258.pdb > /var/tmp/scwrl_913050258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913050258.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 96 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_213469170.pdb -s /var/tmp/to_scwrl_213469170.seq -o /var/tmp/from_scwrl_213469170.pdb > /var/tmp/scwrl_213469170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213469170.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2093498422.pdb -s /var/tmp/to_scwrl_2093498422.seq -o /var/tmp/from_scwrl_2093498422.pdb > /var/tmp/scwrl_2093498422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093498422.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 T0363 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_673698070.pdb -s /var/tmp/to_scwrl_673698070.seq -o /var/tmp/from_scwrl_673698070.pdb > /var/tmp/scwrl_673698070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673698070.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 T0363 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_147125368.pdb -s /var/tmp/to_scwrl_147125368.seq -o /var/tmp/from_scwrl_147125368.pdb > /var/tmp/scwrl_147125368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147125368.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 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_699478299.pdb -s /var/tmp/to_scwrl_699478299.seq -o /var/tmp/from_scwrl_699478299.pdb > /var/tmp/scwrl_699478299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699478299.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 47 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1706179287.pdb -s /var/tmp/to_scwrl_1706179287.seq -o /var/tmp/from_scwrl_1706179287.pdb > /var/tmp/scwrl_1706179287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706179287.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 # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2138536384.pdb -s /var/tmp/to_scwrl_2138536384.seq -o /var/tmp/from_scwrl_2138536384.pdb > /var/tmp/scwrl_2138536384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138536384.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 72 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_144403330.pdb -s /var/tmp/to_scwrl_144403330.seq -o /var/tmp/from_scwrl_144403330.pdb > /var/tmp/scwrl_144403330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_144403330.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 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_212060128.pdb -s /var/tmp/to_scwrl_212060128.seq -o /var/tmp/from_scwrl_212060128.pdb > /var/tmp/scwrl_212060128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212060128.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 88 ; scwrl3 -i /var/tmp/to_scwrl_318364812.pdb -s /var/tmp/to_scwrl_318364812.seq -o /var/tmp/from_scwrl_318364812.pdb > /var/tmp/scwrl_318364812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318364812.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_465843802.pdb -s /var/tmp/to_scwrl_465843802.seq -o /var/tmp/from_scwrl_465843802.pdb > /var/tmp/scwrl_465843802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465843802.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_549956396.pdb -s /var/tmp/to_scwrl_549956396.seq -o /var/tmp/from_scwrl_549956396.pdb > /var/tmp/scwrl_549956396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_549956396.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 T0363 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1287929225.pdb -s /var/tmp/to_scwrl_1287929225.seq -o /var/tmp/from_scwrl_1287929225.pdb > /var/tmp/scwrl_1287929225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287929225.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 T0363 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_886493735.pdb -s /var/tmp/to_scwrl_886493735.seq -o /var/tmp/from_scwrl_886493735.pdb > /var/tmp/scwrl_886493735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_886493735.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 27, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 187, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1228963697.pdb -s /var/tmp/to_scwrl_1228963697.seq -o /var/tmp/from_scwrl_1228963697.pdb > /var/tmp/scwrl_1228963697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228963697.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1001914113.pdb -s /var/tmp/to_scwrl_1001914113.seq -o /var/tmp/from_scwrl_1001914113.pdb > /var/tmp/scwrl_1001914113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1001914113.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1901022306.pdb -s /var/tmp/to_scwrl_1901022306.seq -o /var/tmp/from_scwrl_1901022306.pdb > /var/tmp/scwrl_1901022306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901022306.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 T0363 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1749576084.pdb -s /var/tmp/to_scwrl_1749576084.seq -o /var/tmp/from_scwrl_1749576084.pdb > /var/tmp/scwrl_1749576084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749576084.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 T0363 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1643599613.pdb -s /var/tmp/to_scwrl_1643599613.seq -o /var/tmp/from_scwrl_1643599613.pdb > /var/tmp/scwrl_1643599613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643599613.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1118385050.pdb -s /var/tmp/to_scwrl_1118385050.seq -o /var/tmp/from_scwrl_1118385050.pdb > /var/tmp/scwrl_1118385050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118385050.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 84 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2092278239.pdb -s /var/tmp/to_scwrl_2092278239.seq -o /var/tmp/from_scwrl_2092278239.pdb > /var/tmp/scwrl_2092278239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092278239.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 62 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1552485652.pdb -s /var/tmp/to_scwrl_1552485652.seq -o /var/tmp/from_scwrl_1552485652.pdb > /var/tmp/scwrl_1552485652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552485652.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_321274731.pdb -s /var/tmp/to_scwrl_321274731.seq -o /var/tmp/from_scwrl_321274731.pdb > /var/tmp/scwrl_321274731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321274731.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 83 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1092320816.pdb -s /var/tmp/to_scwrl_1092320816.seq -o /var/tmp/from_scwrl_1092320816.pdb > /var/tmp/scwrl_1092320816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092320816.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 # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1695057459.pdb -s /var/tmp/to_scwrl_1695057459.seq -o /var/tmp/from_scwrl_1695057459.pdb > /var/tmp/scwrl_1695057459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695057459.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1557412176.pdb -s /var/tmp/to_scwrl_1557412176.seq -o /var/tmp/from_scwrl_1557412176.pdb > /var/tmp/scwrl_1557412176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557412176.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 T0363 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1722674458.pdb -s /var/tmp/to_scwrl_1722674458.seq -o /var/tmp/from_scwrl_1722674458.pdb > /var/tmp/scwrl_1722674458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722674458.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_404589630.pdb -s /var/tmp/to_scwrl_404589630.seq -o /var/tmp/from_scwrl_404589630.pdb > /var/tmp/scwrl_404589630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404589630.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1496493948.pdb -s /var/tmp/to_scwrl_1496493948.seq -o /var/tmp/from_scwrl_1496493948.pdb > /var/tmp/scwrl_1496493948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496493948.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 T0363 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2012272710.pdb -s /var/tmp/to_scwrl_2012272710.seq -o /var/tmp/from_scwrl_2012272710.pdb > /var/tmp/scwrl_2012272710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012272710.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 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1317639887.pdb -s /var/tmp/to_scwrl_1317639887.seq -o /var/tmp/from_scwrl_1317639887.pdb > /var/tmp/scwrl_1317639887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1317639887.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 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1709963119.pdb -s /var/tmp/to_scwrl_1709963119.seq -o /var/tmp/from_scwrl_1709963119.pdb > /var/tmp/scwrl_1709963119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709963119.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 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1958287486.pdb -s /var/tmp/to_scwrl_1958287486.seq -o /var/tmp/from_scwrl_1958287486.pdb > /var/tmp/scwrl_1958287486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958287486.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 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1991337957.pdb -s /var/tmp/to_scwrl_1991337957.seq -o /var/tmp/from_scwrl_1991337957.pdb > /var/tmp/scwrl_1991337957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1991337957.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1857088487.pdb -s /var/tmp/to_scwrl_1857088487.seq -o /var/tmp/from_scwrl_1857088487.pdb > /var/tmp/scwrl_1857088487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857088487.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 19 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_510282138.pdb -s /var/tmp/to_scwrl_510282138.seq -o /var/tmp/from_scwrl_510282138.pdb > /var/tmp/scwrl_510282138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510282138.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 88 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1550033597.pdb -s /var/tmp/to_scwrl_1550033597.seq -o /var/tmp/from_scwrl_1550033597.pdb > /var/tmp/scwrl_1550033597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550033597.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 # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1848141224.pdb -s /var/tmp/to_scwrl_1848141224.seq -o /var/tmp/from_scwrl_1848141224.pdb > /var/tmp/scwrl_1848141224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848141224.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_654685469.pdb -s /var/tmp/to_scwrl_654685469.seq -o /var/tmp/from_scwrl_654685469.pdb > /var/tmp/scwrl_654685469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654685469.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 T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1762093725.pdb -s /var/tmp/to_scwrl_1762093725.seq -o /var/tmp/from_scwrl_1762093725.pdb > /var/tmp/scwrl_1762093725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1762093725.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 T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_19022390.pdb -s /var/tmp/to_scwrl_19022390.seq -o /var/tmp/from_scwrl_19022390.pdb > /var/tmp/scwrl_19022390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19022390.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 T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1120529270.pdb -s /var/tmp/to_scwrl_1120529270.seq -o /var/tmp/from_scwrl_1120529270.pdb > /var/tmp/scwrl_1120529270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120529270.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_164566474.pdb -s /var/tmp/to_scwrl_164566474.seq -o /var/tmp/from_scwrl_164566474.pdb > /var/tmp/scwrl_164566474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164566474.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 46 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1306951615.pdb -s /var/tmp/to_scwrl_1306951615.seq -o /var/tmp/from_scwrl_1306951615.pdb > /var/tmp/scwrl_1306951615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306951615.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 88 ; scwrl3 -i /var/tmp/to_scwrl_2007023005.pdb -s /var/tmp/to_scwrl_2007023005.seq -o /var/tmp/from_scwrl_2007023005.pdb > /var/tmp/scwrl_2007023005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007023005.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1393530171.pdb -s /var/tmp/to_scwrl_1393530171.seq -o /var/tmp/from_scwrl_1393530171.pdb > /var/tmp/scwrl_1393530171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393530171.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 T0363 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_161382081.pdb -s /var/tmp/to_scwrl_161382081.seq -o /var/tmp/from_scwrl_161382081.pdb > /var/tmp/scwrl_161382081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161382081.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 T0363 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1760561664.pdb -s /var/tmp/to_scwrl_1760561664.seq -o /var/tmp/from_scwrl_1760561664.pdb > /var/tmp/scwrl_1760561664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1760561664.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 T0363 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_995622609.pdb -s /var/tmp/to_scwrl_995622609.seq -o /var/tmp/from_scwrl_995622609.pdb > /var/tmp/scwrl_995622609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995622609.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 T0363 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1804981695.pdb -s /var/tmp/to_scwrl_1804981695.seq -o /var/tmp/from_scwrl_1804981695.pdb > /var/tmp/scwrl_1804981695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804981695.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 T0363 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_731463068.pdb -s /var/tmp/to_scwrl_731463068.seq -o /var/tmp/from_scwrl_731463068.pdb > /var/tmp/scwrl_731463068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731463068.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 T0363 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_940417202.pdb -s /var/tmp/to_scwrl_940417202.seq -o /var/tmp/from_scwrl_940417202.pdb > /var/tmp/scwrl_940417202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_940417202.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 T0363 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1209983700.pdb -s /var/tmp/to_scwrl_1209983700.seq -o /var/tmp/from_scwrl_1209983700.pdb > /var/tmp/scwrl_1209983700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209983700.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 37 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1052737800.pdb -s /var/tmp/to_scwrl_1052737800.seq -o /var/tmp/from_scwrl_1052737800.pdb > /var/tmp/scwrl_1052737800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1052737800.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 T0363 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2032738018.pdb -s /var/tmp/to_scwrl_2032738018.seq -o /var/tmp/from_scwrl_2032738018.pdb > /var/tmp/scwrl_2032738018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032738018.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 T0363 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_757557514.pdb -s /var/tmp/to_scwrl_757557514.seq -o /var/tmp/from_scwrl_757557514.pdb > /var/tmp/scwrl_757557514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757557514.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 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_462666329.pdb -s /var/tmp/to_scwrl_462666329.seq -o /var/tmp/from_scwrl_462666329.pdb > /var/tmp/scwrl_462666329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462666329.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 67 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1607928829.pdb -s /var/tmp/to_scwrl_1607928829.seq -o /var/tmp/from_scwrl_1607928829.pdb > /var/tmp/scwrl_1607928829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1607928829.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 # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1162147143.pdb -s /var/tmp/to_scwrl_1162147143.seq -o /var/tmp/from_scwrl_1162147143.pdb > /var/tmp/scwrl_1162147143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162147143.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 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1959160277.pdb -s /var/tmp/to_scwrl_1959160277.seq -o /var/tmp/from_scwrl_1959160277.pdb > /var/tmp/scwrl_1959160277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959160277.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 46 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1472717893.pdb -s /var/tmp/to_scwrl_1472717893.seq -o /var/tmp/from_scwrl_1472717893.pdb > /var/tmp/scwrl_1472717893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472717893.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 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_332303384.pdb -s /var/tmp/to_scwrl_332303384.seq -o /var/tmp/from_scwrl_332303384.pdb > /var/tmp/scwrl_332303384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_332303384.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 29 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1521639749.pdb -s /var/tmp/to_scwrl_1521639749.seq -o /var/tmp/from_scwrl_1521639749.pdb > /var/tmp/scwrl_1521639749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521639749.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 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1283521732.pdb -s /var/tmp/to_scwrl_1283521732.seq -o /var/tmp/from_scwrl_1283521732.pdb > /var/tmp/scwrl_1283521732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283521732.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 77 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_176157694.pdb -s /var/tmp/to_scwrl_176157694.seq -o /var/tmp/from_scwrl_176157694.pdb > /var/tmp/scwrl_176157694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176157694.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 46 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1231244589.pdb -s /var/tmp/to_scwrl_1231244589.seq -o /var/tmp/from_scwrl_1231244589.pdb > /var/tmp/scwrl_1231244589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231244589.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1793803870.pdb -s /var/tmp/to_scwrl_1793803870.seq -o /var/tmp/from_scwrl_1793803870.pdb > /var/tmp/scwrl_1793803870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793803870.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 87 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1726191291.pdb -s /var/tmp/to_scwrl_1726191291.seq -o /var/tmp/from_scwrl_1726191291.pdb > /var/tmp/scwrl_1726191291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726191291.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 89 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_931902168.pdb -s /var/tmp/to_scwrl_931902168.seq -o /var/tmp/from_scwrl_931902168.pdb > /var/tmp/scwrl_931902168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_931902168.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 88 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_301005692.pdb -s /var/tmp/to_scwrl_301005692.seq -o /var/tmp/from_scwrl_301005692.pdb > /var/tmp/scwrl_301005692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301005692.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 95 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1340801369.pdb -s /var/tmp/to_scwrl_1340801369.seq -o /var/tmp/from_scwrl_1340801369.pdb > /var/tmp/scwrl_1340801369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340801369.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 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_950924558.pdb -s /var/tmp/to_scwrl_950924558.seq -o /var/tmp/from_scwrl_950924558.pdb > /var/tmp/scwrl_950924558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_950924558.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1421534962.pdb -s /var/tmp/to_scwrl_1421534962.seq -o /var/tmp/from_scwrl_1421534962.pdb > /var/tmp/scwrl_1421534962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421534962.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 38 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1505367844.pdb -s /var/tmp/to_scwrl_1505367844.seq -o /var/tmp/from_scwrl_1505367844.pdb > /var/tmp/scwrl_1505367844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505367844.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 # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_110392526.pdb -s /var/tmp/to_scwrl_110392526.seq -o /var/tmp/from_scwrl_110392526.pdb > /var/tmp/scwrl_110392526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110392526.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 72 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1281074321.pdb -s /var/tmp/to_scwrl_1281074321.seq -o /var/tmp/from_scwrl_1281074321.pdb > /var/tmp/scwrl_1281074321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281074321.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 72 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_751414369.pdb -s /var/tmp/to_scwrl_751414369.seq -o /var/tmp/from_scwrl_751414369.pdb > /var/tmp/scwrl_751414369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751414369.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 88 ; scwrl3 -i /var/tmp/to_scwrl_271774607.pdb -s /var/tmp/to_scwrl_271774607.seq -o /var/tmp/from_scwrl_271774607.pdb > /var/tmp/scwrl_271774607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271774607.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 88 ; scwrl3 -i /var/tmp/to_scwrl_894152339.pdb -s /var/tmp/to_scwrl_894152339.seq -o /var/tmp/from_scwrl_894152339.pdb > /var/tmp/scwrl_894152339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894152339.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1747036978.pdb -s /var/tmp/to_scwrl_1747036978.seq -o /var/tmp/from_scwrl_1747036978.pdb > /var/tmp/scwrl_1747036978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1747036978.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 88 ; scwrl3 -i /var/tmp/to_scwrl_2076756302.pdb -s /var/tmp/to_scwrl_2076756302.seq -o /var/tmp/from_scwrl_2076756302.pdb > /var/tmp/scwrl_2076756302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076756302.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 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1625615407.pdb -s /var/tmp/to_scwrl_1625615407.seq -o /var/tmp/from_scwrl_1625615407.pdb > /var/tmp/scwrl_1625615407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625615407.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 66 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_539970533.pdb -s /var/tmp/to_scwrl_539970533.seq -o /var/tmp/from_scwrl_539970533.pdb > /var/tmp/scwrl_539970533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539970533.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1139256356.pdb -s /var/tmp/to_scwrl_1139256356.seq -o /var/tmp/from_scwrl_1139256356.pdb > /var/tmp/scwrl_1139256356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139256356.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 88 ; scwrl3 -i /var/tmp/to_scwrl_530869560.pdb -s /var/tmp/to_scwrl_530869560.seq -o /var/tmp/from_scwrl_530869560.pdb > /var/tmp/scwrl_530869560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530869560.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 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_425224904.pdb -s /var/tmp/to_scwrl_425224904.seq -o /var/tmp/from_scwrl_425224904.pdb > /var/tmp/scwrl_425224904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425224904.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1896813870.pdb -s /var/tmp/to_scwrl_1896813870.seq -o /var/tmp/from_scwrl_1896813870.pdb > /var/tmp/scwrl_1896813870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896813870.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 T0363 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_993535889.pdb -s /var/tmp/to_scwrl_993535889.seq -o /var/tmp/from_scwrl_993535889.pdb > /var/tmp/scwrl_993535889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993535889.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 T0363 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2033153734.pdb -s /var/tmp/to_scwrl_2033153734.seq -o /var/tmp/from_scwrl_2033153734.pdb > /var/tmp/scwrl_2033153734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033153734.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 T0363 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_911477367.pdb -s /var/tmp/to_scwrl_911477367.seq -o /var/tmp/from_scwrl_911477367.pdb > /var/tmp/scwrl_911477367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911477367.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_805212519.pdb -s /var/tmp/to_scwrl_805212519.seq -o /var/tmp/from_scwrl_805212519.pdb > /var/tmp/scwrl_805212519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_805212519.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 T0363 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1358387980.pdb -s /var/tmp/to_scwrl_1358387980.seq -o /var/tmp/from_scwrl_1358387980.pdb > /var/tmp/scwrl_1358387980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358387980.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 T0363 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1243780750.pdb -s /var/tmp/to_scwrl_1243780750.seq -o /var/tmp/from_scwrl_1243780750.pdb > /var/tmp/scwrl_1243780750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1243780750.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 T0363 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_179368622.pdb -s /var/tmp/to_scwrl_179368622.seq -o /var/tmp/from_scwrl_179368622.pdb > /var/tmp/scwrl_179368622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_179368622.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 T0363 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_494426066.pdb -s /var/tmp/to_scwrl_494426066.seq -o /var/tmp/from_scwrl_494426066.pdb > /var/tmp/scwrl_494426066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494426066.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 T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1419938444.pdb -s /var/tmp/to_scwrl_1419938444.seq -o /var/tmp/from_scwrl_1419938444.pdb > /var/tmp/scwrl_1419938444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419938444.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 T0363 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 88 ; scwrl3 -i /var/tmp/to_scwrl_1410613211.pdb -s /var/tmp/to_scwrl_1410613211.seq -o /var/tmp/from_scwrl_1410613211.pdb > /var/tmp/scwrl_1410613211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410613211.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 T0363 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 88 ; scwrl3 -i /var/tmp/to_scwrl_140746289.pdb -s /var/tmp/to_scwrl_140746289.seq -o /var/tmp/from_scwrl_140746289.pdb > /var/tmp/scwrl_140746289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140746289.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_998646089.pdb -s /var/tmp/to_scwrl_998646089.seq -o /var/tmp/from_scwrl_998646089.pdb > /var/tmp/scwrl_998646089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_998646089.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 T0363 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_195031732.pdb -s /var/tmp/to_scwrl_195031732.seq -o /var/tmp/from_scwrl_195031732.pdb > /var/tmp/scwrl_195031732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195031732.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_441751982.pdb -s /var/tmp/to_scwrl_441751982.seq -o /var/tmp/from_scwrl_441751982.pdb > /var/tmp/scwrl_441751982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441751982.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 T0363 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_191963811.pdb -s /var/tmp/to_scwrl_191963811.seq -o /var/tmp/from_scwrl_191963811.pdb > /var/tmp/scwrl_191963811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191963811.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1145956289.pdb -s /var/tmp/to_scwrl_1145956289.seq -o /var/tmp/from_scwrl_1145956289.pdb > /var/tmp/scwrl_1145956289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145956289.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 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1863286944.pdb -s /var/tmp/to_scwrl_1863286944.seq -o /var/tmp/from_scwrl_1863286944.pdb > /var/tmp/scwrl_1863286944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863286944.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1697331655.pdb -s /var/tmp/to_scwrl_1697331655.seq -o /var/tmp/from_scwrl_1697331655.pdb > /var/tmp/scwrl_1697331655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697331655.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1256348815.pdb -s /var/tmp/to_scwrl_1256348815.seq -o /var/tmp/from_scwrl_1256348815.pdb > /var/tmp/scwrl_1256348815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1256348815.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_996877619.pdb -s /var/tmp/to_scwrl_996877619.seq -o /var/tmp/from_scwrl_996877619.pdb > /var/tmp/scwrl_996877619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_996877619.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_301262378.pdb -s /var/tmp/to_scwrl_301262378.seq -o /var/tmp/from_scwrl_301262378.pdb > /var/tmp/scwrl_301262378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301262378.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 51 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1528123423.pdb -s /var/tmp/to_scwrl_1528123423.seq -o /var/tmp/from_scwrl_1528123423.pdb > /var/tmp/scwrl_1528123423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528123423.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 89 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1891029958.pdb -s /var/tmp/to_scwrl_1891029958.seq -o /var/tmp/from_scwrl_1891029958.pdb > /var/tmp/scwrl_1891029958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891029958.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 94 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2048299356.pdb -s /var/tmp/to_scwrl_2048299356.seq -o /var/tmp/from_scwrl_2048299356.pdb > /var/tmp/scwrl_2048299356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048299356.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 92 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1457396078.pdb -s /var/tmp/to_scwrl_1457396078.seq -o /var/tmp/from_scwrl_1457396078.pdb > /var/tmp/scwrl_1457396078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457396078.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 89 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1369161718.pdb -s /var/tmp/to_scwrl_1369161718.seq -o /var/tmp/from_scwrl_1369161718.pdb > /var/tmp/scwrl_1369161718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369161718.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 41 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_440786242.pdb -s /var/tmp/to_scwrl_440786242.seq -o /var/tmp/from_scwrl_440786242.pdb > /var/tmp/scwrl_440786242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440786242.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 88 ; scwrl3 -i /var/tmp/to_scwrl_449168788.pdb -s /var/tmp/to_scwrl_449168788.seq -o /var/tmp/from_scwrl_449168788.pdb > /var/tmp/scwrl_449168788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_449168788.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 20 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1900031278.pdb -s /var/tmp/to_scwrl_1900031278.seq -o /var/tmp/from_scwrl_1900031278.pdb > /var/tmp/scwrl_1900031278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900031278.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 19 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_866011146.pdb -s /var/tmp/to_scwrl_866011146.seq -o /var/tmp/from_scwrl_866011146.pdb > /var/tmp/scwrl_866011146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866011146.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_198499011.pdb -s /var/tmp/to_scwrl_198499011.seq -o /var/tmp/from_scwrl_198499011.pdb > /var/tmp/scwrl_198499011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198499011.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 45 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_746083520.pdb -s /var/tmp/to_scwrl_746083520.seq -o /var/tmp/from_scwrl_746083520.pdb > /var/tmp/scwrl_746083520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746083520.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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_751681233.pdb -s /var/tmp/to_scwrl_751681233.seq -o /var/tmp/from_scwrl_751681233.pdb > /var/tmp/scwrl_751681233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751681233.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 25 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1109976377.pdb -s /var/tmp/to_scwrl_1109976377.seq -o /var/tmp/from_scwrl_1109976377.pdb > /var/tmp/scwrl_1109976377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1109976377.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 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1551296038.pdb -s /var/tmp/to_scwrl_1551296038.seq -o /var/tmp/from_scwrl_1551296038.pdb > /var/tmp/scwrl_1551296038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551296038.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 54 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2110069213.pdb -s /var/tmp/to_scwrl_2110069213.seq -o /var/tmp/from_scwrl_2110069213.pdb > /var/tmp/scwrl_2110069213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110069213.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_206273481.pdb -s /var/tmp/to_scwrl_206273481.seq -o /var/tmp/from_scwrl_206273481.pdb > /var/tmp/scwrl_206273481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206273481.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1730664660.pdb -s /var/tmp/to_scwrl_1730664660.seq -o /var/tmp/from_scwrl_1730664660.pdb > /var/tmp/scwrl_1730664660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1730664660.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_457011632.pdb -s /var/tmp/to_scwrl_457011632.seq -o /var/tmp/from_scwrl_457011632.pdb > /var/tmp/scwrl_457011632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_457011632.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1626211925.pdb -s /var/tmp/to_scwrl_1626211925.seq -o /var/tmp/from_scwrl_1626211925.pdb > /var/tmp/scwrl_1626211925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626211925.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_993794226.pdb -s /var/tmp/to_scwrl_993794226.seq -o /var/tmp/from_scwrl_993794226.pdb > /var/tmp/scwrl_993794226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993794226.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_597757922.pdb -s /var/tmp/to_scwrl_597757922.seq -o /var/tmp/from_scwrl_597757922.pdb > /var/tmp/scwrl_597757922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_597757922.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_477374367.pdb -s /var/tmp/to_scwrl_477374367.seq -o /var/tmp/from_scwrl_477374367.pdb > /var/tmp/scwrl_477374367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477374367.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 T0363 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1188825957.pdb -s /var/tmp/to_scwrl_1188825957.seq -o /var/tmp/from_scwrl_1188825957.pdb > /var/tmp/scwrl_1188825957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188825957.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 T0363 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1039509904.pdb -s /var/tmp/to_scwrl_1039509904.seq -o /var/tmp/from_scwrl_1039509904.pdb > /var/tmp/scwrl_1039509904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039509904.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 T0363 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_669338179.pdb -s /var/tmp/to_scwrl_669338179.seq -o /var/tmp/from_scwrl_669338179.pdb > /var/tmp/scwrl_669338179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669338179.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_187298601.pdb -s /var/tmp/to_scwrl_187298601.seq -o /var/tmp/from_scwrl_187298601.pdb > /var/tmp/scwrl_187298601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187298601.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 T0363 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_755313201.pdb -s /var/tmp/to_scwrl_755313201.seq -o /var/tmp/from_scwrl_755313201.pdb > /var/tmp/scwrl_755313201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755313201.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 T0363 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_219186187.pdb -s /var/tmp/to_scwrl_219186187.seq -o /var/tmp/from_scwrl_219186187.pdb > /var/tmp/scwrl_219186187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219186187.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 T0363 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1443647416.pdb -s /var/tmp/to_scwrl_1443647416.seq -o /var/tmp/from_scwrl_1443647416.pdb > /var/tmp/scwrl_1443647416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443647416.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 T0363 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1752190820.pdb -s /var/tmp/to_scwrl_1752190820.seq -o /var/tmp/from_scwrl_1752190820.pdb > /var/tmp/scwrl_1752190820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1752190820.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 67 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_520448565.pdb -s /var/tmp/to_scwrl_520448565.seq -o /var/tmp/from_scwrl_520448565.pdb > /var/tmp/scwrl_520448565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520448565.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_824287193.pdb -s /var/tmp/to_scwrl_824287193.seq -o /var/tmp/from_scwrl_824287193.pdb > /var/tmp/scwrl_824287193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824287193.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 # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1495737131.pdb -s /var/tmp/to_scwrl_1495737131.seq -o /var/tmp/from_scwrl_1495737131.pdb > /var/tmp/scwrl_1495737131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1495737131.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_421264274.pdb -s /var/tmp/to_scwrl_421264274.seq -o /var/tmp/from_scwrl_421264274.pdb > /var/tmp/scwrl_421264274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421264274.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_134199625.pdb -s /var/tmp/to_scwrl_134199625.seq -o /var/tmp/from_scwrl_134199625.pdb > /var/tmp/scwrl_134199625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134199625.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 67 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_717415203.pdb -s /var/tmp/to_scwrl_717415203.seq -o /var/tmp/from_scwrl_717415203.pdb > /var/tmp/scwrl_717415203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717415203.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 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_862050516.pdb -s /var/tmp/to_scwrl_862050516.seq -o /var/tmp/from_scwrl_862050516.pdb > /var/tmp/scwrl_862050516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862050516.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_583368413.pdb -s /var/tmp/to_scwrl_583368413.seq -o /var/tmp/from_scwrl_583368413.pdb > /var/tmp/scwrl_583368413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_583368413.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 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_469962834.pdb -s /var/tmp/to_scwrl_469962834.seq -o /var/tmp/from_scwrl_469962834.pdb > /var/tmp/scwrl_469962834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469962834.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 20 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1728061662.pdb -s /var/tmp/to_scwrl_1728061662.seq -o /var/tmp/from_scwrl_1728061662.pdb > /var/tmp/scwrl_1728061662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728061662.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 60 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_781867425.pdb -s /var/tmp/to_scwrl_781867425.seq -o /var/tmp/from_scwrl_781867425.pdb > /var/tmp/scwrl_781867425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_781867425.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 84 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1216046353.pdb -s /var/tmp/to_scwrl_1216046353.seq -o /var/tmp/from_scwrl_1216046353.pdb > /var/tmp/scwrl_1216046353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216046353.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 82 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_332259248.pdb -s /var/tmp/to_scwrl_332259248.seq -o /var/tmp/from_scwrl_332259248.pdb > /var/tmp/scwrl_332259248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_332259248.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 # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1891843802.pdb -s /var/tmp/to_scwrl_1891843802.seq -o /var/tmp/from_scwrl_1891843802.pdb > /var/tmp/scwrl_1891843802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891843802.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 73 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_619858745.pdb -s /var/tmp/to_scwrl_619858745.seq -o /var/tmp/from_scwrl_619858745.pdb > /var/tmp/scwrl_619858745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_619858745.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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_294844815.pdb -s /var/tmp/to_scwrl_294844815.seq -o /var/tmp/from_scwrl_294844815.pdb > /var/tmp/scwrl_294844815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294844815.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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2098117284.pdb -s /var/tmp/to_scwrl_2098117284.seq -o /var/tmp/from_scwrl_2098117284.pdb > /var/tmp/scwrl_2098117284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098117284.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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_203039759.pdb -s /var/tmp/to_scwrl_203039759.seq -o /var/tmp/from_scwrl_203039759.pdb > /var/tmp/scwrl_203039759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_203039759.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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_751856447.pdb -s /var/tmp/to_scwrl_751856447.seq -o /var/tmp/from_scwrl_751856447.pdb > /var/tmp/scwrl_751856447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751856447.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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1576845562.pdb -s /var/tmp/to_scwrl_1576845562.seq -o /var/tmp/from_scwrl_1576845562.pdb > /var/tmp/scwrl_1576845562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576845562.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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1196833984.pdb -s /var/tmp/to_scwrl_1196833984.seq -o /var/tmp/from_scwrl_1196833984.pdb > /var/tmp/scwrl_1196833984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1196833984.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1349614368.pdb -s /var/tmp/to_scwrl_1349614368.seq -o /var/tmp/from_scwrl_1349614368.pdb > /var/tmp/scwrl_1349614368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349614368.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 178, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2054219930.pdb -s /var/tmp/to_scwrl_2054219930.seq -o /var/tmp/from_scwrl_2054219930.pdb > /var/tmp/scwrl_2054219930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054219930.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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_238176295.pdb -s /var/tmp/to_scwrl_238176295.seq -o /var/tmp/from_scwrl_238176295.pdb > /var/tmp/scwrl_238176295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238176295.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_241640625.pdb -s /var/tmp/to_scwrl_241640625.seq -o /var/tmp/from_scwrl_241640625.pdb > /var/tmp/scwrl_241640625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_241640625.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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_576074462.pdb -s /var/tmp/to_scwrl_576074462.seq -o /var/tmp/from_scwrl_576074462.pdb > /var/tmp/scwrl_576074462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576074462.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 89 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_425474896.pdb -s /var/tmp/to_scwrl_425474896.seq -o /var/tmp/from_scwrl_425474896.pdb > /var/tmp/scwrl_425474896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425474896.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 86 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_996953827.pdb -s /var/tmp/to_scwrl_996953827.seq -o /var/tmp/from_scwrl_996953827.pdb > /var/tmp/scwrl_996953827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_996953827.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 82 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_795260649.pdb -s /var/tmp/to_scwrl_795260649.seq -o /var/tmp/from_scwrl_795260649.pdb > /var/tmp/scwrl_795260649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_795260649.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 95 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1869122313.pdb -s /var/tmp/to_scwrl_1869122313.seq -o /var/tmp/from_scwrl_1869122313.pdb > /var/tmp/scwrl_1869122313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869122313.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 93 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_601661000.pdb -s /var/tmp/to_scwrl_601661000.seq -o /var/tmp/from_scwrl_601661000.pdb > /var/tmp/scwrl_601661000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601661000.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 96 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1315709214.pdb -s /var/tmp/to_scwrl_1315709214.seq -o /var/tmp/from_scwrl_1315709214.pdb > /var/tmp/scwrl_1315709214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315709214.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 T0363 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_545925859.pdb -s /var/tmp/to_scwrl_545925859.seq -o /var/tmp/from_scwrl_545925859.pdb > /var/tmp/scwrl_545925859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545925859.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 T0363 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2097398131.pdb -s /var/tmp/to_scwrl_2097398131.seq -o /var/tmp/from_scwrl_2097398131.pdb > /var/tmp/scwrl_2097398131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2097398131.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 T0363 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1736973488.pdb -s /var/tmp/to_scwrl_1736973488.seq -o /var/tmp/from_scwrl_1736973488.pdb > /var/tmp/scwrl_1736973488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1736973488.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_680125484.pdb -s /var/tmp/to_scwrl_680125484.seq -o /var/tmp/from_scwrl_680125484.pdb > /var/tmp/scwrl_680125484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680125484.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 T0363 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_667329687.pdb -s /var/tmp/to_scwrl_667329687.seq -o /var/tmp/from_scwrl_667329687.pdb > /var/tmp/scwrl_667329687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667329687.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 T0363 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_451540358.pdb -s /var/tmp/to_scwrl_451540358.seq -o /var/tmp/from_scwrl_451540358.pdb > /var/tmp/scwrl_451540358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451540358.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 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1263493897.pdb -s /var/tmp/to_scwrl_1263493897.seq -o /var/tmp/from_scwrl_1263493897.pdb > /var/tmp/scwrl_1263493897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1263493897.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 89 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1137292520.pdb -s /var/tmp/to_scwrl_1137292520.seq -o /var/tmp/from_scwrl_1137292520.pdb > /var/tmp/scwrl_1137292520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137292520.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 88 ; scwrl3 -i /var/tmp/to_scwrl_32118373.pdb -s /var/tmp/to_scwrl_32118373.seq -o /var/tmp/from_scwrl_32118373.pdb > /var/tmp/scwrl_32118373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_32118373.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 88 ; scwrl3 -i /var/tmp/to_scwrl_2045361322.pdb -s /var/tmp/to_scwrl_2045361322.seq -o /var/tmp/from_scwrl_2045361322.pdb > /var/tmp/scwrl_2045361322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2045361322.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 88 ; scwrl3 -i /var/tmp/to_scwrl_205855227.pdb -s /var/tmp/to_scwrl_205855227.seq -o /var/tmp/from_scwrl_205855227.pdb > /var/tmp/scwrl_205855227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205855227.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_364377621.pdb -s /var/tmp/to_scwrl_364377621.seq -o /var/tmp/from_scwrl_364377621.pdb > /var/tmp/scwrl_364377621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364377621.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 WARNING: atoms too close: (T0363)N11.O and (T0363)Q12.N only 0.000 apart, marking (T0363)Q12.N as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1789721477.pdb -s /var/tmp/to_scwrl_1789721477.seq -o /var/tmp/from_scwrl_1789721477.pdb > /var/tmp/scwrl_1789721477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789721477.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 WARNING: atoms too close: (T0363)E34.O and (T0363)G35.N only 0.000 apart, marking (T0363)G35.N as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_825713972.pdb -s /var/tmp/to_scwrl_825713972.seq -o /var/tmp/from_scwrl_825713972.pdb > /var/tmp/scwrl_825713972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825713972.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 WARNING: atoms too close: (T0363)N11.O and (T0363)Q12.N only 0.000 apart, marking (T0363)Q12.N as missing WARNING: atoms too close: (T0363)N14.O and (T0363)I15.N only 0.000 apart, marking (T0363)I15.N as missing WARNING: atoms too close: (T0363)R79.O and (T0363)I80.N only 0.000 apart, marking (T0363)I80.N as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_659222436.pdb -s /var/tmp/to_scwrl_659222436.seq -o /var/tmp/from_scwrl_659222436.pdb > /var/tmp/scwrl_659222436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659222436.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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1740355114.pdb -s /var/tmp/to_scwrl_1740355114.seq -o /var/tmp/from_scwrl_1740355114.pdb > /var/tmp/scwrl_1740355114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1740355114.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 T0363 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1028753731.pdb -s /var/tmp/to_scwrl_1028753731.seq -o /var/tmp/from_scwrl_1028753731.pdb > /var/tmp/scwrl_1028753731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1028753731.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 T0363 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1411078883.pdb -s /var/tmp/to_scwrl_1411078883.seq -o /var/tmp/from_scwrl_1411078883.pdb > /var/tmp/scwrl_1411078883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411078883.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 T0363 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1169717030.pdb -s /var/tmp/to_scwrl_1169717030.seq -o /var/tmp/from_scwrl_1169717030.pdb > /var/tmp/scwrl_1169717030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1169717030.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 T0363 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_78104068.pdb -s /var/tmp/to_scwrl_78104068.seq -o /var/tmp/from_scwrl_78104068.pdb > /var/tmp/scwrl_78104068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78104068.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 64 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_613209605.pdb -s /var/tmp/to_scwrl_613209605.seq -o /var/tmp/from_scwrl_613209605.pdb > /var/tmp/scwrl_613209605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613209605.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1076453313.pdb -s /var/tmp/to_scwrl_1076453313.seq -o /var/tmp/from_scwrl_1076453313.pdb > /var/tmp/scwrl_1076453313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076453313.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 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_316280364.pdb -s /var/tmp/to_scwrl_316280364.seq -o /var/tmp/from_scwrl_316280364.pdb > /var/tmp/scwrl_316280364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_316280364.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 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_854850231.pdb -s /var/tmp/to_scwrl_854850231.seq -o /var/tmp/from_scwrl_854850231.pdb > /var/tmp/scwrl_854850231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854850231.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1652527775.pdb -s /var/tmp/to_scwrl_1652527775.seq -o /var/tmp/from_scwrl_1652527775.pdb > /var/tmp/scwrl_1652527775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652527775.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 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_741755260.pdb -s /var/tmp/to_scwrl_741755260.seq -o /var/tmp/from_scwrl_741755260.pdb > /var/tmp/scwrl_741755260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741755260.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 T0363 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1851804057.pdb -s /var/tmp/to_scwrl_1851804057.seq -o /var/tmp/from_scwrl_1851804057.pdb > /var/tmp/scwrl_1851804057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851804057.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 T0363 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_300304777.pdb -s /var/tmp/to_scwrl_300304777.seq -o /var/tmp/from_scwrl_300304777.pdb > /var/tmp/scwrl_300304777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300304777.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 T0363 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_463393926.pdb -s /var/tmp/to_scwrl_463393926.seq -o /var/tmp/from_scwrl_463393926.pdb > /var/tmp/scwrl_463393926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_463393926.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 T0363 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_305981410.pdb -s /var/tmp/to_scwrl_305981410.seq -o /var/tmp/from_scwrl_305981410.pdb > /var/tmp/scwrl_305981410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305981410.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 T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1616013991.pdb -s /var/tmp/to_scwrl_1616013991.seq -o /var/tmp/from_scwrl_1616013991.pdb > /var/tmp/scwrl_1616013991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1616013991.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 T0363 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1009319786.pdb -s /var/tmp/to_scwrl_1009319786.seq -o /var/tmp/from_scwrl_1009319786.pdb > /var/tmp/scwrl_1009319786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1009319786.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: atoms too close: (T0363)Y19.N and (T0363)A20.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)A20.CA only 0.000 apart, marking (T0363)A20.CA as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)A20.CB only 0.000 apart, marking (T0363)A20.CB as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)A20.O only 0.000 apart, marking (T0363)A20.O as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)A20.C only 0.000 apart, marking (T0363)A20.C as missing WARNING: atoms too close: (T0363)A20.N and (T0363)F21.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)F21.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)F21.CA only 0.000 apart, marking (T0363)F21.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)F21.CA only 0.000 apart, marking (T0363)F21.CA as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)F21.CB only 0.000 apart, marking (T0363)F21.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)F21.CB only 0.000 apart, marking (T0363)F21.CB as missing WARNING: atoms too close: (T0363)A20.O and (T0363)F21.O only 0.000 apart, marking (T0363)F21.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)F21.O only 0.000 apart, marking (T0363)F21.O as missing WARNING: atoms too close: (T0363)A20.C and (T0363)F21.C only 0.000 apart, marking (T0363)F21.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)F21.C only 0.000 apart, marking (T0363)F21.C as missing WARNING: atoms too close: (T0363)F21.N and (T0363)P22.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)P22.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)P22.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)P22.CA only 0.000 apart, marking (T0363)P22.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)P22.CA only 0.000 apart, marking (T0363)P22.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)P22.CA only 0.000 apart, marking (T0363)P22.CA as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)P22.CB only 0.000 apart, marking (T0363)P22.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)P22.CB only 0.000 apart, marking (T0363)P22.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)P22.CB only 0.000 apart, marking (T0363)P22.CB as missing WARNING: atoms too close: (T0363)F21.O and (T0363)P22.O only 0.000 apart, marking (T0363)P22.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)P22.O only 0.000 apart, marking (T0363)P22.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)P22.O only 0.000 apart, marking (T0363)P22.O as missing WARNING: atoms too close: (T0363)F21.C and (T0363)P22.C only 0.000 apart, marking (T0363)P22.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)P22.C only 0.000 apart, marking (T0363)P22.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)P22.C only 0.000 apart, marking (T0363)P22.C as missing WARNING: atoms too close: (T0363)P22.N and (T0363)F51.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)F51.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)F51.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)F51.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)F51.CA only 0.000 apart, marking (T0363)F51.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)F51.CA only 0.000 apart, marking (T0363)F51.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)F51.CA only 0.000 apart, marking (T0363)F51.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)F51.CA only 0.000 apart, marking (T0363)F51.CA as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)F51.CB only 0.000 apart, marking (T0363)F51.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)F51.CB only 0.000 apart, marking (T0363)F51.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)F51.CB only 0.000 apart, marking (T0363)F51.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)F51.CB only 0.000 apart, marking (T0363)F51.CB as missing WARNING: atoms too close: (T0363)P22.O and (T0363)F51.O only 0.000 apart, marking (T0363)F51.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)F51.O only 0.000 apart, marking (T0363)F51.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)F51.O only 0.000 apart, marking (T0363)F51.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)F51.O only 0.000 apart, marking (T0363)F51.O as missing WARNING: atoms too close: (T0363)P22.C and (T0363)F51.C only 0.000 apart, marking (T0363)F51.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)F51.C only 0.000 apart, marking (T0363)F51.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)F51.C only 0.000 apart, marking (T0363)F51.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)F51.C only 0.000 apart, marking (T0363)F51.C as missing WARNING: atoms too close: (T0363)F51.N and (T0363)P52.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)P52.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)P52.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)P52.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)P52.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)F51.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)F51.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)P52.N and (T0363)E53.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)E53.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)E53.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)E53.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)E53.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)E53.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)P52.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)P52.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)E53.N and (T0363)I54.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.N and (T0363)I54.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)I54.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)I54.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)I54.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)I54.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)I54.N only 0.000 apart, marking (T0363)I54.N as missing WARNING: atoms too close: (T0363)E53.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)E53.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)E53.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)P52.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)E53.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)P52.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)I54.N and (T0363)D55.N only 0.000 apart, marking (T0363)I54.N as missing WARNING: atoms too close: (T0363)E53.N and (T0363)D55.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.N and (T0363)D55.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)D55.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)D55.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)D55.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)D55.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)D55.N only 0.000 apart, marking (T0363)D55.N as missing WARNING: atoms too close: (T0363)I54.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)E53.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)I54.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)E53.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)I54.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)E53.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)P52.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)I54.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)E53.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)P52.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)D55.N and (T0363)I63.N only 0.000 apart, marking (T0363)D55.N as missing WARNING: atoms too close: (T0363)I54.N and (T0363)I63.N only 0.000 apart, marking (T0363)I54.N as missing WARNING: atoms too close: (T0363)E53.N and (T0363)I63.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.N and (T0363)I63.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)I63.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)I63.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)I63.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)I63.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)I63.N only 0.000 apart, marking (T0363)I63.N as missing WARNING: atoms too close: (T0363)D55.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)I54.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)E53.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)D55.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)I54.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)E53.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)D55.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)I54.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)E53.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)P52.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)D55.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)I54.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)E53.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)P52.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)I63.N and (T0363)F64.N only 0.000 apart, marking (T0363)I63.N as missing WARNING: atoms too close: (T0363)D55.N and (T0363)F64.N only 0.000 apart, marking (T0363)D55.N as missing WARNING: atoms too close: (T0363)I54.N and (T0363)F64.N only 0.000 apart, marking (T0363)I54.N as missing WARNING: atoms too close: (T0363)E53.N and (T0363)F64.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.N and (T0363)F64.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)F64.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)F64.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)F64.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)F64.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)F64.N only 0.000 apart, marking (T0363)F64.N as missing WARNING: atoms too close: (T0363)I63.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)D55.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)I54.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)E53.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)I63.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)D55.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)I54.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)E53.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)I63.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)D55.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)I54.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)E53.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)P52.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)I63.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)D55.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)I54.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)E53.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)P52.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_255895894.pdb -s /var/tmp/to_scwrl_255895894.seq -o /var/tmp/from_scwrl_255895894.pdb > /var/tmp/scwrl_255895894.log Error: Couldn't open file /var/tmp/from_scwrl_255895894.pdb or /var/tmp/from_scwrl_255895894.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_255895894_b.pdb or decoys//var/tmp/from_scwrl_255895894_b.pdb.gz for input Trying /var/tmp/from_scwrl_255895894_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_255895894_b.pdb or /var/tmp/from_scwrl_255895894_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_255895894_a.pdb or decoys//var/tmp/from_scwrl_255895894_a.pdb.gz for input Trying /var/tmp/from_scwrl_255895894_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_255895894_a.pdb or /var/tmp/from_scwrl_255895894_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_255895894.pdb or /var/tmp/from_scwrl_255895894_b.pdb or /var/tmp/from_scwrl_255895894_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1205503833.pdb -s /var/tmp/to_scwrl_1205503833.seq -o /var/tmp/from_scwrl_1205503833.pdb > /var/tmp/scwrl_1205503833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205503833.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 41.283 sec, elapsed time= 609.622 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 64.362 real_cost = 94.527 shub_TS1 costs 64.362 real_cost = 87.953 panther2_TS1-scwrl costs 112.118 real_cost = 274.754 nFOLD_TS5-scwrl costs 91.640 real_cost = 194.588 nFOLD_TS5 costs 91.602 real_cost = 240.292 nFOLD_TS4-scwrl costs 128.422 real_cost = 275.215 nFOLD_TS4 costs 128.422 real_cost = 332.918 nFOLD_TS3-scwrl costs 84.009 real_cost = 192.666 nFOLD_TS3 costs 83.883 real_cost = 222.561 nFOLD_TS2-scwrl costs 124.842 real_cost = 344.168 nFOLD_TS2 costs 124.824 real_cost = 390.720 nFOLD_TS1-scwrl costs 124.501 real_cost = 303.820 nFOLD_TS1 costs 124.440 real_cost = 349.458 mGen-3D_TS1-scwrl costs 84.936 real_cost = 215.525 mGen-3D_TS1 costs 84.805 real_cost = 236.859 keasar-server_TS5-scwrl costs 80.736 real_cost = 157.085 keasar-server_TS5 costs 80.736 real_cost = 167.807 keasar-server_TS4-scwrl costs 101.757 real_cost = 185.921 keasar-server_TS4 costs 101.757 real_cost = 196.951 keasar-server_TS3-scwrl costs 88.720 real_cost = 189.931 keasar-server_TS3 costs 88.720 real_cost = 168.912 keasar-server_TS2-scwrl costs 94.082 real_cost = 193.321 keasar-server_TS2 costs 94.082 real_cost = 195.097 keasar-server_TS1-scwrl costs 87.702 real_cost = 205.380 keasar-server_TS1 costs 87.702 real_cost = 212.151 karypis.srv_TS5-scwrl costs 89.618 real_cost = 205.235 karypis.srv_TS5 costs 89.618 real_cost = 205.284 karypis.srv_TS4-scwrl costs 91.250 real_cost = 242.261 karypis.srv_TS4 costs 91.292 real_cost = 242.970 karypis.srv_TS3-scwrl costs 92.195 real_cost = 183.816 karypis.srv_TS3 costs 92.143 real_cost = 181.219 karypis.srv_TS2-scwrl costs 84.972 real_cost = 229.813 karypis.srv_TS2 costs 84.934 real_cost = 226.906 karypis.srv_TS1-scwrl costs 80.709 real_cost = 167.602 karypis.srv_TS1 costs 80.757 real_cost = 158.492 karypis.srv.4_TS5-scwrl costs 135.376 real_cost = 286.277 karypis.srv.4_TS5 costs 135.376 real_cost = 286.277 karypis.srv.4_TS4-scwrl costs 146.699 real_cost = 213.713 karypis.srv.4_TS4 costs 146.699 real_cost = 208.526 karypis.srv.4_TS3-scwrl costs 164.312 real_cost = 310.229 karypis.srv.4_TS3 costs 164.312 real_cost = 310.197 karypis.srv.4_TS2-scwrl costs 149.088 real_cost = 246.462 karypis.srv.4_TS2 costs 149.088 real_cost = 247.687 karypis.srv.4_TS1-scwrl costs 136.105 real_cost = 306.816 karypis.srv.4_TS1 costs 136.105 real_cost = 306.816 karypis.srv.2_TS5-scwrl costs 86.200 real_cost = 207.463 karypis.srv.2_TS5 costs 86.200 real_cost = 207.463 karypis.srv.2_TS4-scwrl costs 101.963 real_cost = 168.058 karypis.srv.2_TS4 costs 101.963 real_cost = 168.058 karypis.srv.2_TS3-scwrl costs 90.768 real_cost = 124.764 karypis.srv.2_TS3 costs 90.768 real_cost = 124.764 karypis.srv.2_TS2-scwrl costs 104.244 real_cost = 145.989 karypis.srv.2_TS2 costs 104.244 real_cost = 145.989 karypis.srv.2_TS1-scwrl costs 92.443 real_cost = 158.110 karypis.srv.2_TS1 costs 92.443 real_cost = 158.110 forecast-s_AL5-scwrl costs 127.717 real_cost = 431.359 forecast-s_AL5 costs 127.685 real_cost = 458.683 forecast-s_AL4-scwrl costs 135.642 real_cost = 375.699 forecast-s_AL4 costs 135.648 real_cost = 426.874 forecast-s_AL3-scwrl costs 135.638 real_cost = 367.901 forecast-s_AL3 costs 135.851 real_cost = 427.573 forecast-s_AL2-scwrl costs 104.759 real_cost = 173.001 forecast-s_AL2 costs 104.772 real_cost = 215.112 forecast-s_AL1-scwrl costs 100.783 real_cost = 305.080 forecast-s_AL1 costs 100.766 real_cost = 340.489 beautshotbase_TS1-scwrl costs 71.962 real_cost = 173.946 beautshotbase_TS1 costs 71.924 real_cost = 170.610 beautshot_TS1-scwrl costs 86.452 real_cost = 80.010 beautshot_TS1 costs 86.452 real_cost = 81.586 Zhang-Server_TS5-scwrl costs 82.702 real_cost = 70.832 Zhang-Server_TS5 costs 82.702 real_cost = 70.832 Zhang-Server_TS4-scwrl costs 72.522 real_cost = 46.875 Zhang-Server_TS4 costs 72.522 real_cost = 46.875 Zhang-Server_TS3-scwrl costs 64.197 real_cost = 42.748 Zhang-Server_TS3 costs 64.197 real_cost = 42.748 Zhang-Server_TS2-scwrl costs 77.420 real_cost = 51.699 Zhang-Server_TS2 costs 77.420 real_cost = 51.699 Zhang-Server_TS1-scwrl costs 79.679 real_cost = 68.333 Zhang-Server_TS1 costs 79.679 real_cost = 68.333 UNI-EID_sfst_AL5-scwrl costs 105.377 real_cost = 223.990 UNI-EID_sfst_AL5 costs 105.534 real_cost = 265.588 UNI-EID_sfst_AL4-scwrl costs 103.537 real_cost = 208.973 UNI-EID_sfst_AL4 costs 103.330 real_cost = 267.305 UNI-EID_sfst_AL3-scwrl costs 108.055 real_cost = 283.969 UNI-EID_sfst_AL3 costs 107.910 real_cost = 303.659 UNI-EID_sfst_AL2-scwrl costs 99.333 real_cost = 286.361 UNI-EID_sfst_AL2 costs 99.262 real_cost = 327.828 UNI-EID_sfst_AL1-scwrl costs 93.589 real_cost = 252.443 UNI-EID_sfst_AL1 costs 93.570 real_cost = 279.773 UNI-EID_expm_TS1-scwrl costs 131.767 real_cost = 167.940 UNI-EID_expm_TS1 costs 131.749 real_cost = 224.514 UNI-EID_bnmx_TS5-scwrl costs 92.743 real_cost = 265.505 UNI-EID_bnmx_TS5 costs 92.670 real_cost = 286.845 UNI-EID_bnmx_TS4-scwrl costs 107.159 real_cost = 278.583 UNI-EID_bnmx_TS4 costs 107.024 real_cost = 299.286 UNI-EID_bnmx_TS3-scwrl costs 97.164 real_cost = 271.965 UNI-EID_bnmx_TS3 costs 97.105 real_cost = 317.087 UNI-EID_bnmx_TS2-scwrl costs 98.068 real_cost = 282.270 UNI-EID_bnmx_TS2 costs 98.010 real_cost = 322.978 UNI-EID_bnmx_TS1-scwrl costs 86.767 real_cost = 176.623 UNI-EID_bnmx_TS1 costs 86.736 real_cost = 204.696 SPARKS2_TS5-scwrl costs 75.274 real_cost = 93.302 SPARKS2_TS5 costs 75.274 real_cost = 103.541 SPARKS2_TS4-scwrl costs 81.431 real_cost = 188.188 SPARKS2_TS4 costs 81.431 real_cost = 195.241 SPARKS2_TS3-scwrl costs 94.685 real_cost = 185.558 SPARKS2_TS3 costs 94.685 real_cost = 194.556 SPARKS2_TS2-scwrl costs 97.832 real_cost = 134.445 SPARKS2_TS2 costs 97.832 real_cost = 146.601 SPARKS2_TS1-scwrl costs 74.573 real_cost = 99.496 SPARKS2_TS1 costs 74.573 real_cost = 101.305 SP4_TS5-scwrl costs 79.939 real_cost = 158.904 SP4_TS5 costs 79.939 real_cost = 184.710 SP4_TS4-scwrl costs 94.898 real_cost = 160.953 SP4_TS4 costs 94.898 real_cost = 185.844 SP4_TS3-scwrl costs 77.728 real_cost = 165.142 SP4_TS3 costs 77.728 real_cost = 175.529 SP4_TS2-scwrl costs 79.058 real_cost = 107.103 SP4_TS2 costs 79.058 real_cost = 119.380 SP4_TS1-scwrl costs 67.853 real_cost = 83.652 SP4_TS1 costs 67.853 real_cost = 90.696 SP3_TS5-scwrl costs 69.792 real_cost = 90.304 SP3_TS5 costs 69.792 real_cost = 111.621 SP3_TS4-scwrl costs 75.061 real_cost = 162.793 SP3_TS4 costs 75.061 real_cost = 191.899 SP3_TS3-scwrl costs 77.546 real_cost = 185.377 SP3_TS3 costs 77.546 real_cost = 183.027 SP3_TS2-scwrl costs 80.166 real_cost = 105.167 SP3_TS2 costs 80.166 real_cost = 108.466 SP3_TS1-scwrl costs 75.412 real_cost = 106.189 SP3_TS1 costs 75.412 real_cost = 112.909 SAM_T06_server_TS5-scwrl costs 84.712 real_cost = 258.177 SAM_T06_server_TS5 costs 84.752 real_cost = 231.100 SAM_T06_server_TS4-scwrl costs 106.557 real_cost = 217.761 SAM_T06_server_TS4 costs 106.832 real_cost = 199.335 SAM_T06_server_TS3-scwrl costs 96.639 real_cost = 251.026 SAM_T06_server_TS3 costs 96.813 real_cost = 233.142 SAM_T06_server_TS2-scwrl costs 76.515 real_cost = 190.798 SAM_T06_server_TS2 costs 76.563 real_cost = 155.367 SAM_T06_server_TS1-scwrl costs 73.422 real_cost = 66.642 SAM_T06_server_TS1 costs 73.422 real_cost = 63.000 SAM-T02_AL5-scwrl costs 138.845 real_cost = 300.871 SAM-T02_AL5 costs 138.856 real_cost = 368.856 SAM-T02_AL4-scwrl costs 94.444 real_cost = 291.713 SAM-T02_AL4 costs 94.302 real_cost = 314.507 SAM-T02_AL3-scwrl costs 87.132 real_cost = 229.432 SAM-T02_AL3 costs 87.003 real_cost = 255.986 SAM-T02_AL2-scwrl costs 101.826 real_cost = 335.549 SAM-T02_AL2 costs 101.904 real_cost = 363.654 SAM-T02_AL1-scwrl costs 77.133 real_cost = 127.257 SAM-T02_AL1 costs 77.007 real_cost = 183.734 ROKKY_TS5-scwrl costs 68.819 real_cost = 98.448 ROKKY_TS5 costs 68.819 real_cost = 187.249 ROKKY_TS4-scwrl costs 69.598 real_cost = 98.660 ROKKY_TS4 costs 69.598 real_cost = 206.293 ROKKY_TS3-scwrl costs 59.817 real_cost = 119.205 ROKKY_TS3 costs 59.817 real_cost = 208.373 ROKKY_TS2-scwrl costs 62.564 real_cost = 107.591 ROKKY_TS2 costs 62.564 real_cost = 201.237 ROKKY_TS1-scwrl costs 59.681 real_cost = 105.686 ROKKY_TS1 costs 59.681 real_cost = 182.392 ROBETTA_TS5-scwrl costs 86.175 real_cost = 207.844 ROBETTA_TS5 costs 86.175 real_cost = 199.843 ROBETTA_TS4-scwrl costs 49.874 real_cost = 101.985 ROBETTA_TS4 costs 49.874 real_cost = 99.934 ROBETTA_TS3-scwrl costs 59.809 real_cost = 112.529 ROBETTA_TS3 costs 59.809 real_cost = 118.416 ROBETTA_TS2-scwrl costs 60.755 real_cost = 62.423 ROBETTA_TS2 costs 60.755 real_cost = 72.793 ROBETTA_TS1-scwrl costs 56.095 real_cost = 79.507 ROBETTA_TS1 costs 56.095 real_cost = 88.589 RAPTOR_TS5-scwrl costs 75.506 real_cost = 123.014 RAPTOR_TS5 costs 75.506 real_cost = 145.205 RAPTOR_TS4-scwrl costs 82.637 real_cost = 126.337 RAPTOR_TS4 costs 82.637 real_cost = 150.092 RAPTOR_TS3-scwrl costs 89.970 real_cost = 108.694 RAPTOR_TS3 costs 89.970 real_cost = 126.208 RAPTOR_TS2-scwrl costs 77.663 real_cost = 176.238 RAPTOR_TS2 costs 77.663 real_cost = 183.147 RAPTOR_TS1-scwrl costs 83.374 real_cost = 175.566 RAPTOR_TS1 costs 83.374 real_cost = 174.699 RAPTORESS_TS5-scwrl costs 89.175 real_cost = 153.584 RAPTORESS_TS5 costs 89.175 real_cost = 149.755 RAPTORESS_TS4-scwrl costs 105.938 real_cost = 152.383 RAPTORESS_TS4 costs 105.938 real_cost = 175.710 RAPTORESS_TS3-scwrl costs 100.084 real_cost = 151.071 RAPTORESS_TS3 costs 100.084 real_cost = 157.160 RAPTORESS_TS2-scwrl costs 92.726 real_cost = 170.177 RAPTORESS_TS2 costs 92.726 real_cost = 176.529 RAPTORESS_TS1-scwrl costs 99.909 real_cost = 187.115 RAPTORESS_TS1 costs 99.909 real_cost = 184.163 RAPTOR-ACE_TS5-scwrl costs 80.799 real_cost = 131.644 RAPTOR-ACE_TS5 costs 80.799 real_cost = 132.324 RAPTOR-ACE_TS4-scwrl costs 75.412 real_cost = 106.189 RAPTOR-ACE_TS4 costs 75.412 real_cost = 112.909 RAPTOR-ACE_TS3-scwrl costs 69.792 real_cost = 90.304 RAPTOR-ACE_TS3 costs 69.792 real_cost = 111.621 RAPTOR-ACE_TS2-scwrl costs 81.524 real_cost = 167.723 RAPTOR-ACE_TS2 costs 81.524 real_cost = 165.363 RAPTOR-ACE_TS1-scwrl costs 70.729 real_cost = 80.302 RAPTOR-ACE_TS1 costs 70.729 real_cost = 88.419 Pmodeller6_TS5-scwrl costs 62.341 real_cost = 85.779 Pmodeller6_TS5 costs 62.341 real_cost = 77.851 Pmodeller6_TS4-scwrl costs 67.420 real_cost = 100.702 Pmodeller6_TS4 costs 67.290 real_cost = 96.103 Pmodeller6_TS3-scwrl costs 66.147 real_cost = 109.864 Pmodeller6_TS3 costs 66.147 real_cost = 110.417 Pmodeller6_TS2-scwrl costs 62.347 real_cost = 117.759 Pmodeller6_TS2 costs 62.284 real_cost = 112.527 Pmodeller6_TS1-scwrl costs 56.095 real_cost = 79.507 Pmodeller6_TS1 costs 56.095 real_cost = 88.589 Phyre-2_TS5-scwrl costs 83.160 real_cost = 139.390 Phyre-2_TS5 costs 83.160 real_cost = 141.338 Phyre-2_TS4-scwrl costs 78.813 real_cost = 135.974 Phyre-2_TS4 costs 78.813 real_cost = 139.315 Phyre-2_TS3-scwrl costs 85.077 real_cost = 140.450 Phyre-2_TS3 costs 85.077 real_cost = 144.867 Phyre-2_TS2-scwrl costs 76.880 real_cost = 174.087 Phyre-2_TS2 costs 76.820 real_cost = 167.245 Phyre-2_TS1-scwrl costs 85.105 real_cost = 178.376 Phyre-2_TS1 costs 85.149 real_cost = 174.164 Phyre-1_TS1-scwrl costs 80.643 real_cost = 196.223 Phyre-1_TS1 costs 80.577 real_cost = 170.175 Pcons6_TS5-scwrl costs 62.347 real_cost = 117.759 Pcons6_TS5 costs 62.284 real_cost = 112.527 Pcons6_TS4-scwrl costs 56.095 real_cost = 79.507 Pcons6_TS4 costs 56.095 real_cost = 88.589 Pcons6_TS3-scwrl costs 77.952 real_cost = 210.385 Pcons6_TS3 costs 78.006 real_cost = 203.365 Pcons6_TS2-scwrl costs 75.051 real_cost = 207.165 Pcons6_TS2 costs 75.013 real_cost = 206.085 Pcons6_TS1-scwrl costs 71.664 real_cost = 139.768 Pcons6_TS1 costs 71.534 real_cost = 134.416 PROTINFO_TS5-scwrl costs 92.236 real_cost = 211.762 PROTINFO_TS5 costs 92.236 real_cost = 215.091 PROTINFO_TS4-scwrl costs 95.259 real_cost = 193.606 PROTINFO_TS4 costs 95.259 real_cost = 212.678 PROTINFO_TS3-scwrl costs 90.248 real_cost = 212.169 PROTINFO_TS3 costs 90.248 real_cost = 216.401 PROTINFO_TS2-scwrl costs 93.496 real_cost = 207.298 PROTINFO_TS2 costs 93.496 real_cost = 215.701 PROTINFO_TS1-scwrl costs 90.463 real_cost = 199.538 PROTINFO_TS1 costs 90.463 real_cost = 211.744 PROTINFO-AB_TS5-scwrl costs 96.422 real_cost = 208.898 PROTINFO-AB_TS5 costs 96.422 real_cost = 215.881 PROTINFO-AB_TS4-scwrl costs 99.360 real_cost = 214.635 PROTINFO-AB_TS4 costs 99.360 real_cost = 215.550 PROTINFO-AB_TS3-scwrl costs 101.421 real_cost = 224.872 PROTINFO-AB_TS3 costs 101.421 real_cost = 227.741 PROTINFO-AB_TS2-scwrl costs 98.532 real_cost = 218.701 PROTINFO-AB_TS2 costs 98.532 real_cost = 219.767 PROTINFO-AB_TS1-scwrl costs 95.245 real_cost = 216.684 PROTINFO-AB_TS1 costs 95.245 real_cost = 209.498 POMYSL_TS5-scwrl costs 129.711 real_cost = 303.210 POMYSL_TS5 costs 129.711 real_cost = 316.029 POMYSL_TS4-scwrl costs 120.761 real_cost = 289.324 POMYSL_TS4 costs 120.761 real_cost = 294.806 POMYSL_TS3-scwrl costs 140.264 real_cost = 318.347 POMYSL_TS3 costs 140.264 real_cost = 319.702 POMYSL_TS2-scwrl costs 120.084 real_cost = 324.533 POMYSL_TS2 costs 120.084 real_cost = 310.935 POMYSL_TS1-scwrl costs 116.750 real_cost = 330.773 POMYSL_TS1 costs 116.750 real_cost = 324.050 MetaTasser_TS5-scwrl costs 85.098 real_cost = 93.471 MetaTasser_TS5 costs 85.098 real_cost = 108.666 MetaTasser_TS4-scwrl costs 101.314 real_cost = 84.112 MetaTasser_TS4 costs 101.314 real_cost = 114.882 MetaTasser_TS3-scwrl costs 84.625 real_cost = 123.779 MetaTasser_TS3 costs 84.625 real_cost = 107.230 MetaTasser_TS2-scwrl costs 118.792 real_cost = 97.131 MetaTasser_TS2 costs 118.792 real_cost = 106.421 MetaTasser_TS1-scwrl costs 93.636 real_cost = 79.681 MetaTasser_TS1 costs 93.636 real_cost = 98.304 Ma-OPUS-server_TS5-scwrl costs 113.233 real_cost = 204.615 Ma-OPUS-server_TS5 costs 113.233 real_cost = 200.762 Ma-OPUS-server_TS4-scwrl costs 77.379 real_cost = 121.675 Ma-OPUS-server_TS4 costs 77.379 real_cost = 147.687 Ma-OPUS-server_TS3-scwrl costs 81.436 real_cost = 198.104 Ma-OPUS-server_TS3 costs 81.436 real_cost = 213.848 Ma-OPUS-server_TS2-scwrl costs 82.941 real_cost = 142.787 Ma-OPUS-server_TS2 costs 82.941 real_cost = 157.635 Ma-OPUS-server_TS1-scwrl costs 83.589 real_cost = 136.562 Ma-OPUS-server_TS1 costs 83.589 real_cost = 154.502 Ma-OPUS-server2_TS5-scwrl costs 113.233 real_cost = 204.615 Ma-OPUS-server2_TS5 costs 113.233 real_cost = 200.762 Ma-OPUS-server2_TS4-scwrl costs 77.379 real_cost = 121.675 Ma-OPUS-server2_TS4 costs 77.379 real_cost = 147.687 Ma-OPUS-server2_TS3-scwrl costs 91.659 real_cost = 301.577 Ma-OPUS-server2_TS3 costs 91.659 real_cost = 303.675 Ma-OPUS-server2_TS2-scwrl costs 89.629 real_cost = 123.815 Ma-OPUS-server2_TS2 costs 89.629 real_cost = 117.948 Ma-OPUS-server2_TS1-scwrl costs 76.523 real_cost = 139.304 Ma-OPUS-server2_TS1 costs 76.523 real_cost = 158.225 MIG_FROST_AL1-scwrl costs 95.713 real_cost = 225.753 MIG_FROST_AL1 costs 95.713 real_cost = 225.753 LOOPP_TS5 costs 95.730 real_cost = 237.734 LOOPP_TS4-scwrl costs 88.141 real_cost = 187.658 LOOPP_TS4 costs 88.157 real_cost = 191.626 LOOPP_TS3-scwrl costs 104.594 real_cost = 279.138 LOOPP_TS3 costs 104.594 real_cost = 283.927 LOOPP_TS2-scwrl costs 71.141 real_cost = 164.679 LOOPP_TS2 costs 71.209 real_cost = 152.865 LOOPP_TS1-scwrl costs 77.614 real_cost = 158.469 LOOPP_TS1 costs 77.615 real_cost = 169.218 Huber-Torda-Server_TS5-scwrl costs 117.151 real_cost = 337.214 Huber-Torda-Server_TS5 costs 117.078 real_cost = 378.745 Huber-Torda-Server_TS4-scwrl costs 123.525 real_cost = 304.632 Huber-Torda-Server_TS4 costs 123.629 real_cost = 322.823 Huber-Torda-Server_TS3-scwrl costs 120.847 real_cost = 305.845 Huber-Torda-Server_TS3 costs 120.817 real_cost = 360.153 Huber-Torda-Server_TS2-scwrl costs 118.288 real_cost = 360.560 Huber-Torda-Server_TS2 costs 118.307 real_cost = 396.313 Huber-Torda-Server_TS1-scwrl costs 113.527 real_cost = 350.477 Huber-Torda-Server_TS1 costs 113.498 real_cost = 394.149 HHpred3_TS1-scwrl costs 71.600 real_cost = 106.946 HHpred3_TS1 costs 71.600 real_cost = 101.910 HHpred2_TS1-scwrl costs 74.811 real_cost = 97.759 HHpred2_TS1 costs 74.811 real_cost = 113.816 HHpred1_TS1-scwrl costs 71.474 real_cost = 93.670 HHpred1_TS1 costs 71.474 real_cost = 96.527 GeneSilicoMetaServer_TS5-scwrl costs 78.904 real_cost = 189.054 GeneSilicoMetaServer_TS5 costs 78.728 real_cost = 192.324 GeneSilicoMetaServer_TS4-scwrl costs 74.704 real_cost = 190.009 GeneSilicoMetaServer_TS4 costs 74.720 real_cost = 182.023 GeneSilicoMetaServer_TS3-scwrl costs 96.213 real_cost = 185.077 GeneSilicoMetaServer_TS3 costs 96.202 real_cost = 183.203 GeneSilicoMetaServer_TS2-scwrl costs 81.323 real_cost = 197.664 GeneSilicoMetaServer_TS2 costs 81.325 real_cost = 215.648 GeneSilicoMetaServer_TS1-scwrl costs 83.136 real_cost = 166.738 GeneSilicoMetaServer_TS1 costs 83.152 real_cost = 179.069 Frankenstein_TS3-scwrl costs 110.781 real_cost = 280.731 Frankenstein_TS3 costs 110.781 real_cost = 294.130 Frankenstein_TS2-scwrl costs 119.320 real_cost = 284.718 Frankenstein_TS2 costs 119.320 real_cost = 291.467 Frankenstein_TS1-scwrl costs 104.422 real_cost = 285.830 Frankenstein_TS1 costs 104.422 real_cost = 292.627 FUNCTION_TS5-scwrl costs 100.100 real_cost = 132.245 FUNCTION_TS5 costs 100.112 real_cost = 121.690 FUNCTION_TS4-scwrl costs 109.159 real_cost = 171.722 FUNCTION_TS4 costs 109.203 real_cost = 184.792 FUNCTION_TS3-scwrl costs 98.280 real_cost = 190.112 FUNCTION_TS3 costs 98.236 real_cost = 194.211 FUNCTION_TS2-scwrl costs 103.533 real_cost = 220.008 FUNCTION_TS2 costs 103.543 real_cost = 205.220 FUNCTION_TS1-scwrl costs 94.502 real_cost = 162.517 FUNCTION_TS1 costs 94.372 real_cost = 180.060 FUGUE_AL5-scwrl costs 121.523 real_cost = 306.221 FUGUE_AL5 costs 121.681 real_cost = 365.732 FUGUE_AL4-scwrl costs 86.290 real_cost = 204.777 FUGUE_AL4 costs 86.247 real_cost = 266.851 FUGUE_AL3-scwrl costs 112.149 real_cost = 332.740 FUGUE_AL3 costs 112.071 real_cost = 374.267 FUGUE_AL2-scwrl costs 88.090 real_cost = 205.286 FUGUE_AL2 costs 88.217 real_cost = 265.391 FUGUE_AL1-scwrl costs 109.863 real_cost = 314.945 FUGUE_AL1 costs 109.965 real_cost = 374.375 FPSOLVER-SERVER_TS5-scwrl costs 156.863 real_cost = 322.367 FPSOLVER-SERVER_TS5 costs 156.863 real_cost = 322.338 FPSOLVER-SERVER_TS4-scwrl costs 153.599 real_cost = 320.960 FPSOLVER-SERVER_TS4 costs 153.599 real_cost = 313.273 FPSOLVER-SERVER_TS3-scwrl costs 156.258 real_cost = 317.027 FPSOLVER-SERVER_TS3 costs 156.258 real_cost = 317.040 FPSOLVER-SERVER_TS2-scwrl costs 134.486 real_cost = 319.087 FPSOLVER-SERVER_TS2 costs 134.486 real_cost = 319.110 FPSOLVER-SERVER_TS1-scwrl costs 155.712 real_cost = 328.421 FPSOLVER-SERVER_TS1 costs 155.712 real_cost = 321.516 FORTE2_AL5-scwrl costs 131.070 real_cost = 308.308 FORTE2_AL5 costs 131.058 real_cost = 333.495 FORTE2_AL4-scwrl costs 88.079 real_cost = 203.801 FORTE2_AL4 costs 88.041 real_cost = 265.625 FORTE2_AL3-scwrl costs 99.693 real_cost = 312.427 FORTE2_AL3 costs 99.633 real_cost = 352.482 FORTE2_AL2-scwrl costs 86.396 real_cost = 196.614 FORTE2_AL2 costs 86.366 real_cost = 238.781 FORTE2_AL1-scwrl costs 76.234 real_cost = 169.794 FORTE2_AL1 costs 76.108 real_cost = 213.491 FORTE1_AL5-scwrl costs 121.438 real_cost = 320.027 FORTE1_AL5 costs 121.417 real_cost = 388.358 FORTE1_AL4-scwrl costs 126.787 real_cost = 348.403 FORTE1_AL4 costs 126.833 real_cost = 405.514 FORTE1_AL3-scwrl costs 131.070 real_cost = 308.308 FORTE1_AL3 costs 131.058 real_cost = 333.495 FORTE1_AL2-scwrl costs 88.079 real_cost = 203.801 FORTE1_AL2 costs 88.041 real_cost = 265.625 FORTE1_AL1-scwrl costs 77.393 real_cost = 169.578 FORTE1_AL1 costs 77.267 real_cost = 214.489 FOLDpro_TS5-scwrl costs 81.178 real_cost = 153.346 FOLDpro_TS5 costs 81.178 real_cost = 160.706 FOLDpro_TS4-scwrl costs 83.314 real_cost = 189.218 FOLDpro_TS4 costs 83.314 real_cost = 209.979 FOLDpro_TS3-scwrl costs 82.122 real_cost = 98.122 FOLDpro_TS3 costs 82.122 real_cost = 119.337 FOLDpro_TS2-scwrl costs 96.003 real_cost = 242.639 FOLDpro_TS2 costs 96.003 real_cost = 243.487 FOLDpro_TS1-scwrl costs 68.957 real_cost = 131.558 FOLDpro_TS1 costs 68.957 real_cost = 141.743 FAMS_TS5-scwrl costs 82.389 real_cost = 155.330 FAMS_TS5 costs 82.389 real_cost = 179.254 FAMS_TS4-scwrl costs 89.220 real_cost = 144.085 FAMS_TS4 costs 89.149 real_cost = 150.554 FAMS_TS3-scwrl costs 98.280 real_cost = 190.112 FAMS_TS3 costs 98.236 real_cost = 194.211 FAMS_TS2-scwrl costs 82.659 real_cost = 109.914 FAMS_TS2 costs 82.659 real_cost = 115.293 FAMS_TS1-scwrl costs 102.254 real_cost = 122.705 FAMS_TS1 costs 102.254 real_cost = 108.823 FAMSD_TS5-scwrl costs 91.866 real_cost = 138.838 FAMSD_TS5 costs 91.903 real_cost = 163.021 FAMSD_TS4-scwrl costs 93.257 real_cost = 161.423 FAMSD_TS4 costs 93.208 real_cost = 156.524 FAMSD_TS3-scwrl costs 89.220 real_cost = 144.085 FAMSD_TS3 costs 89.149 real_cost = 150.554 FAMSD_TS2-scwrl costs 102.141 real_cost = 131.751 FAMSD_TS2 costs 102.141 real_cost = 142.967 FAMSD_TS1-scwrl costs 96.006 real_cost = 193.431 FAMSD_TS1 costs 96.006 real_cost = 203.625 Distill_TS5-scwrl costs 234.888 real_cost = 337.917 Distill_TS4-scwrl costs 235.902 real_cost = 311.503 Distill_TS3-scwrl costs 235.621 real_cost = 323.049 Distill_TS2-scwrl costs 235.460 real_cost = 328.711 Distill_TS1-scwrl costs 232.254 real_cost = 304.497 CaspIta-FOX_TS5-scwrl costs 113.212 real_cost = 259.361 CaspIta-FOX_TS5 costs 113.187 real_cost = 265.032 CaspIta-FOX_TS4-scwrl costs 120.443 real_cost = 412.117 CaspIta-FOX_TS4 costs 120.879 real_cost = 379.739 CaspIta-FOX_TS3-scwrl costs 99.243 real_cost = 193.004 CaspIta-FOX_TS3 costs 99.249 real_cost = 192.085 CaspIta-FOX_TS2-scwrl costs 71.421 real_cost = 187.535 CaspIta-FOX_TS2 costs 71.291 real_cost = 177.186 CaspIta-FOX_TS1-scwrl costs 95.187 real_cost = 272.128 CaspIta-FOX_TS1 costs 95.153 real_cost = 273.847 CIRCLE_TS5-scwrl costs 96.178 real_cost = 192.592 CIRCLE_TS5 costs 96.190 real_cost = 199.025 CIRCLE_TS4-scwrl costs 97.762 real_cost = 121.892 CIRCLE_TS4 costs 97.762 real_cost = 130.403 CIRCLE_TS3-scwrl costs 89.370 real_cost = 110.002 CIRCLE_TS3 costs 89.370 real_cost = 115.952 CIRCLE_TS2-scwrl costs 82.389 real_cost = 155.330 CIRCLE_TS2 costs 82.389 real_cost = 179.254 CIRCLE_TS1-scwrl costs 82.659 real_cost = 109.914 CIRCLE_TS1 costs 82.659 real_cost = 115.293 BayesHH_TS1-scwrl costs 66.945 real_cost = 110.169 BayesHH_TS1 costs 66.945 real_cost = 121.970 ABIpro_TS5-scwrl costs 89.372 real_cost = 230.985 ABIpro_TS5 costs 89.372 real_cost = 230.985 ABIpro_TS4-scwrl costs 87.021 real_cost = 87.717 ABIpro_TS4 costs 87.021 real_cost = 87.717 ABIpro_TS3-scwrl costs 89.236 real_cost = 236.595 ABIpro_TS3 costs 89.236 real_cost = 236.569 ABIpro_TS2-scwrl costs 92.493 real_cost = 163.135 ABIpro_TS2 costs 92.493 real_cost = 163.135 ABIpro_TS1-scwrl costs 89.292 real_cost = 169.753 ABIpro_TS1 costs 89.292 real_cost = 165.906 3Dpro_TS5-scwrl costs 104.303 real_cost = 260.109 3Dpro_TS5 costs 104.303 real_cost = 259.320 3Dpro_TS4-scwrl costs 89.292 real_cost = 169.753 3Dpro_TS4 costs 89.292 real_cost = 165.906 3Dpro_TS3-scwrl costs 90.883 real_cost = 221.709 3Dpro_TS3 costs 90.883 real_cost = 222.095 3Dpro_TS2-scwrl costs 93.934 real_cost = 234.967 3Dpro_TS2 costs 93.934 real_cost = 238.791 3Dpro_TS1-scwrl costs 82.122 real_cost = 98.122 3Dpro_TS1 costs 82.122 real_cost = 119.337 3D-JIGSAW_TS5-scwrl costs 108.871 real_cost = 154.348 3D-JIGSAW_TS5 costs 109.045 real_cost = 171.925 3D-JIGSAW_TS4-scwrl costs 125.045 real_cost = 292.276 3D-JIGSAW_TS4 costs 125.085 real_cost = 266.868 3D-JIGSAW_TS3-scwrl costs 107.789 real_cost = 251.156 3D-JIGSAW_TS3 costs 107.773 real_cost = 250.780 3D-JIGSAW_TS2-scwrl costs 129.505 real_cost = 271.069 3D-JIGSAW_TS2 costs 129.493 real_cost = 271.226 3D-JIGSAW_TS1-scwrl costs 111.836 real_cost = 246.947 3D-JIGSAW_TS1 costs 111.824 real_cost = 253.530 3D-JIGSAW_RECOM_TS5-scwrl costs 108.259 real_cost = 110.993 3D-JIGSAW_RECOM_TS5 costs 108.259 real_cost = 136.242 3D-JIGSAW_RECOM_TS4-scwrl costs 107.260 real_cost = 116.287 3D-JIGSAW_RECOM_TS4 costs 107.260 real_cost = 132.942 3D-JIGSAW_RECOM_TS3-scwrl costs 117.041 real_cost = 266.635 3D-JIGSAW_RECOM_TS3 costs 116.915 real_cost = 240.616 3D-JIGSAW_RECOM_TS2-scwrl costs 131.602 real_cost = 282.254 3D-JIGSAW_RECOM_TS2 costs 131.664 real_cost = 256.865 3D-JIGSAW_RECOM_TS1-scwrl costs 106.122 real_cost = 147.006 3D-JIGSAW_RECOM_TS1 costs 106.296 real_cost = 163.234 3D-JIGSAW_POPULUS_TS5-scwrl costs 87.891 real_cost = 227.618 3D-JIGSAW_POPULUS_TS5 costs 87.891 real_cost = 227.618 3D-JIGSAW_POPULUS_TS4-scwrl costs 102.410 real_cost = 143.377 3D-JIGSAW_POPULUS_TS4 costs 102.398 real_cost = 141.177 3D-JIGSAW_POPULUS_TS3-scwrl costs 98.069 real_cost = 255.168 3D-JIGSAW_POPULUS_TS3 costs 98.020 real_cost = 250.722 3D-JIGSAW_POPULUS_TS2-scwrl costs 85.148 real_cost = 147.836 3D-JIGSAW_POPULUS_TS2 costs 85.099 real_cost = 147.412 3D-JIGSAW_POPULUS_TS1-scwrl costs 99.790 real_cost = 168.470 3D-JIGSAW_POPULUS_TS1 costs 99.794 real_cost = 166.270 robetta-model9.pdb.gz costs 62.341 real_cost = 77.851 robetta-model8.pdb.gz costs 45.898 real_cost = 88.929 robetta-model7.pdb.gz costs 66.147 real_cost = 110.417 robetta-model6.pdb.gz costs 54.316 real_cost = 97.720 robetta-model5.pdb.gz costs 86.175 real_cost = 199.843 robetta-model4.pdb.gz costs 49.874 real_cost = 99.934 robetta-model3.pdb.gz costs 59.809 real_cost = 118.416 robetta-model2.pdb.gz costs 60.755 real_cost = 72.793 robetta-model10.pdb.gz costs 49.709 real_cost = 89.893 robetta-model1.pdb.gz costs 56.095 real_cost = 88.589 T0363.try9-opt2.repack-nonPC.pdb.gz costs 62.906 real_cost = 72.028 T0363.try9-opt2.pdb.gz costs 62.906 real_cost = 79.601 T0363.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.877 real_cost = 79.735 T0363.try9-opt2.gromacs0.pdb.gz costs 51.877 real_cost = 83.517 T0363.try9-opt1.pdb.gz costs 58.963 real_cost = 76.748 T0363.try9-opt1-scwrl.pdb.gz costs 58.963 real_cost = 73.332 T0363.try8-opt2.repack-nonPC.pdb.gz costs 67.664 real_cost = 57.095 T0363.try8-opt2.pdb.gz costs 67.664 real_cost = 58.685 T0363.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.989 real_cost = 52.885 T0363.try8-opt2.gromacs0.pdb.gz costs 51.989 real_cost = 53.941 T0363.try8-opt1.pdb.gz costs 63.162 real_cost = 59.098 T0363.try8-opt1-scwrl.pdb.gz costs 63.162 real_cost = 59.559 T0363.try7-opt2.repack-nonPC.pdb.gz costs 59.686 real_cost = 64.204 T0363.try7-opt2.pdb.gz costs 59.686 real_cost = 65.428 T0363.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.746 real_cost = 62.364 T0363.try7-opt2.gromacs0.pdb.gz costs 51.746 real_cost = 60.639 T0363.try7-opt1.pdb.gz costs 59.913 real_cost = 68.018 T0363.try7-opt1-scwrl.pdb.gz costs 59.913 real_cost = 67.244 T0363.try6-opt2.repack-nonPC.pdb.gz costs 62.169 real_cost = 76.060 T0363.try6-opt2.pdb.gz costs 62.169 real_cost = 74.673 T0363.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.156 real_cost = 70.103 T0363.try6-opt2.gromacs0.pdb.gz costs 56.156 real_cost = 72.343 T0363.try6-opt1.pdb.gz costs 62.093 real_cost = 73.236 T0363.try6-opt1-scwrl.pdb.gz costs 62.093 real_cost = 73.683 T0363.try5-opt2.repack-nonPC.pdb.gz costs 59.479 real_cost = 65.169 T0363.try5-opt2.pdb.gz costs 59.479 real_cost = 67.308 T0363.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.661 real_cost = 65.865 T0363.try5-opt2.gromacs0.pdb.gz costs 51.661 real_cost = 66.711 T0363.try5-opt1.pdb.gz costs 59.504 real_cost = 69.777 T0363.try5-opt1-scwrl.pdb.gz costs 59.504 real_cost = 70.074 T0363.try4-opt2.repack-nonPC.pdb.gz costs 59.551 real_cost = 63.808 T0363.try4-opt2.pdb.gz costs 59.551 real_cost = 67.548 T0363.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.397 real_cost = 59.569 T0363.try4-opt2.gromacs0.pdb.gz costs 50.397 real_cost = 57.175 T0363.try4-opt1.pdb.gz costs 58.588 real_cost = 77.536 T0363.try4-opt1-scwrl.pdb.gz costs 58.588 real_cost = 73.103 T0363.try3-opt2.repack-nonPC.pdb.gz costs 98.250 real_cost = 159.866 T0363.try3-opt2.pdb.gz costs 98.250 real_cost = 162.574 T0363.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 78.211 real_cost = 171.519 T0363.try3-opt2.gromacs0.pdb.gz costs 78.211 real_cost = 170.372 T0363.try3-opt1.pdb.gz costs 88.829 real_cost = 157.652 T0363.try3-opt1-scwrl.pdb.gz costs 88.829 real_cost = 158.150 T0363.try2-opt2.repack-nonPC.pdb.gz costs 75.752 real_cost = 166.293 T0363.try2-opt2.pdb.gz costs 75.752 real_cost = 164.126 T0363.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 69.455 real_cost = 164.107 T0363.try2-opt2.gromacs0.pdb.gz costs 69.455 real_cost = 164.369 T0363.try2-opt1.pdb.gz costs 71.867 real_cost = 162.331 T0363.try2-opt1-scwrl.pdb.gz costs 71.867 real_cost = 163.759 T0363.try18-opt2.repack-nonPC.pdb.gz costs 63.552 real_cost = 71.060 T0363.try18-opt2.pdb.gz costs 63.552 real_cost = 70.480 T0363.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.749 real_cost = 68.039 T0363.try18-opt2.gromacs0.pdb.gz costs 55.749 real_cost = 70.586 T0363.try18-opt1.pdb.gz costs 65.771 real_cost = 69.585 T0363.try18-opt1-scwrl.pdb.gz costs 65.771 real_cost = 70.580 T0363.try17-opt2.repack-nonPC.pdb.gz costs 60.060 real_cost = 74.401 T0363.try17-opt2.pdb.gz costs 60.060 real_cost = 72.877 T0363.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.568 real_cost = 68.777 T0363.try17-opt2.gromacs0.pdb.gz costs 56.568 real_cost = 69.574 T0363.try17-opt1.pdb.gz costs 62.933 real_cost = 69.400 T0363.try17-opt1-scwrl.pdb.gz costs 62.933 real_cost = 69.194 T0363.try16-opt2.repack-nonPC.pdb.gz costs 62.454 real_cost = 63.529 T0363.try16-opt2.pdb.gz costs 62.454 real_cost = 63.850 T0363.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.504 real_cost = 55.113 T0363.try16-opt2.gromacs0.pdb.gz costs 54.504 real_cost = 59.167 T0363.try16-opt1.pdb.gz costs 62.086 real_cost = 62.935 T0363.try16-opt1-scwrl.pdb.gz costs 62.086 real_cost = 69.148 T0363.try15-opt2.repack-nonPC.pdb.gz costs 101.890 real_cost = 266.706 T0363.try15-opt2.pdb.gz costs 101.890 real_cost = 262.586 T0363.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 101.585 real_cost = 262.283 T0363.try15-opt2.gromacs0.pdb.gz costs 101.585 real_cost = 263.482 T0363.try15-opt1.pdb.gz costs 101.890 real_cost = 263.709 T0363.try15-opt1-scwrl.pdb.gz costs 101.890 real_cost = 266.514 T0363.try14-opt2.repack-nonPC.pdb.gz costs 69.688 real_cost = 78.720 T0363.try14-opt2.pdb.gz costs 69.688 real_cost = 84.789 T0363.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.460 real_cost = 80.412 T0363.try14-opt2.gromacs0.pdb.gz costs 53.460 real_cost = 80.942 T0363.try14-opt1.pdb.gz costs 69.569 real_cost = 79.223 T0363.try14-opt1-scwrl.pdb.gz costs 69.569 real_cost = 78.853 T0363.try13-opt2.repack-nonPC.pdb.gz costs 66.644 real_cost = 85.594 T0363.try13-opt2.pdb.gz costs 66.644 real_cost = 80.828 T0363.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.391 real_cost = 74.723 T0363.try13-opt2.gromacs0.pdb.gz costs 52.391 real_cost = 74.667 T0363.try13-opt1.pdb.gz costs 66.965 real_cost = 81.016 T0363.try13-opt1-scwrl.pdb.gz costs 66.965 real_cost = 80.063 T0363.try12-opt2.repack-nonPC.pdb.gz costs 110.100 real_cost = 264.053 T0363.try12-opt2.pdb.gz costs 110.100 real_cost = 265.177 T0363.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 101.555 real_cost = 268.483 T0363.try12-opt2.gromacs0.pdb.gz costs 101.555 real_cost = 262.360 T0363.try12-opt1.pdb.gz costs 106.073 real_cost = 264.576 T0363.try12-opt1-scwrl.pdb.gz costs 106.073 real_cost = 268.278 T0363.try11-opt2.repack-nonPC.pdb.gz costs 70.134 real_cost = 83.306 T0363.try11-opt2.pdb.gz costs 68.650 real_cost = 79.977 T0363.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.973 real_cost = 72.137 T0363.try11-opt2.gromacs0.pdb.gz costs 51.973 real_cost = 75.320 T0363.try11-opt1.pdb.gz costs 70.136 real_cost = 80.053 T0363.try11-opt1-scwrl.pdb.gz costs 70.136 real_cost = 79.603 T0363.try10-opt2.repack-nonPC.pdb.gz costs 59.676 real_cost = 65.299 T0363.try10-opt2.pdb.gz costs 59.676 real_cost = 64.528 T0363.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.785 real_cost = 58.593 T0363.try10-opt2.gromacs0.pdb.gz costs 50.785 real_cost = 63.314 T0363.try10-opt1.pdb.gz costs 59.698 real_cost = 69.171 T0363.try10-opt1-scwrl.pdb.gz costs 59.698 real_cost = 70.808 T0363.try1-opt2.repack-nonPC.pdb.gz costs 70.547 real_cost = 79.850 T0363.try1-opt2.pdb.gz costs 70.547 real_cost = 78.247 T0363.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.522 real_cost = 74.549 T0363.try1-opt2.gromacs0.pdb.gz costs 55.522 real_cost = 72.587 T0363.try1-opt1.pdb.gz costs 65.200 real_cost = 72.608 T0363.try1-opt1-scwrl.pdb.gz costs 65.200 real_cost = 75.933 ../model5.ts-submitted costs 68.031 real_cost = 84.757 ../model4.ts-submitted costs 67.664 real_cost = 58.663 ../model3.ts-submitted costs 97.443 real_cost = 162.563 ../model2.ts-submitted costs 55.749 real_cost = 68.068 ../model1.ts-submitted costs 62.454 real_cost = 63.880 align5 costs 97.866 real_cost = 244.606 align4 costs 88.073 real_cost = 120.843 align3 costs 100.989 real_cost = 199.366 align2 costs 98.973 real_cost = 228.179 align1 costs 78.592 real_cost = 151.185 T0363.try1-opt2.pdb costs 70.547 real_cost = 78.247 model5-scwrl costs 68.031 real_cost = 75.854 model5.ts-submitted costs 68.031 real_cost = 84.757 model4-scwrl costs 67.664 real_cost = 58.842 model4.ts-submitted costs 67.664 real_cost = 58.663 model3-scwrl costs 97.443 real_cost = 166.451 model3.ts-submitted costs 97.443 real_cost = 162.563 model2-scwrl costs 55.749 real_cost = 68.844 model2.ts-submitted costs 55.749 real_cost = 68.068 model1-scwrl costs 62.454 real_cost = 63.583 model1.ts-submitted costs 62.454 real_cost = 63.880 2hj1A costs 47.243 real_cost = -861.400 # command:CPU_time= 236.925 sec, elapsed time= 986.488 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/T0363'