make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0314' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0314.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/T0314.} ;\ 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/T0314/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hg6A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182633180 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.882 sec, elapsed time= 6.959 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= 6.961 sec, elapsed time= 7.060 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0314 numbered 1 through 106 Created new target T0314 from T0314.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hg6A expands to /projects/compbio/data/pdb/2hg6.pdb.gz 2hg6A: Read 106 residues and 854 atoms. # 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= 9.911 sec, elapsed time= 10.097 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 99 # 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 = -19.575 # GDT_score(maxd=8.000,maxw=2.900)= -16.995 # GDT_score(maxd=8.000,maxw=3.200)= -16.109 # GDT_score(maxd=8.000,maxw=3.500)= -15.352 # GDT_score(maxd=10.000,maxw=3.800)= -17.761 # GDT_score(maxd=10.000,maxw=4.000)= -17.180 # GDT_score(maxd=10.000,maxw=4.200)= -16.587 # GDT_score(maxd=12.000,maxw=4.300)= -19.016 # GDT_score(maxd=12.000,maxw=4.500)= -18.380 # GDT_score(maxd=12.000,maxw=4.700)= -17.799 # GDT_score(maxd=14.000,maxw=5.200)= -18.616 # GDT_score(maxd=14.000,maxw=5.500)= -17.806 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0314.model1-real.pdb for output Error: Couldn't open file T0314.model1-real.pdb for output superimposing iter= 0 total_weight= 1277 rmsd (weighted)= 16.5079 (unweighted)= 16.7657 superimposing iter= 1 total_weight= 1803.85 rmsd (weighted)= 11.081 (unweighted)= 16.8725 superimposing iter= 2 total_weight= 1059.82 rmsd (weighted)= 9.83496 (unweighted)= 17.0105 superimposing iter= 3 total_weight= 944.381 rmsd (weighted)= 9.29136 (unweighted)= 17.1089 superimposing iter= 4 total_weight= 891.826 rmsd (weighted)= 9.04616 (unweighted)= 17.1816 superimposing iter= 5 total_weight= 873.696 rmsd (weighted)= 8.90455 (unweighted)= 17.2349 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 6.199 29.741 -13.192 1.00 0.00 ATOM 2 CA MET A 1 7.658 29.558 -13.426 1.00 0.00 ATOM 3 CB MET A 1 8.359 29.455 -12.065 1.00 0.00 ATOM 4 CG MET A 1 9.871 29.459 -12.110 1.00 0.00 ATOM 5 SD MET A 1 10.564 29.441 -10.434 1.00 0.00 ATOM 6 CE MET A 1 10.707 31.189 -10.109 1.00 0.00 ATOM 7 O MET A 1 7.134 27.291 -14.002 1.00 0.00 ATOM 8 C MET A 1 7.896 28.241 -14.163 1.00 0.00 ATOM 9 N SER A 2 8.956 28.200 -14.972 1.00 0.00 ATOM 10 CA SER A 2 9.299 27.001 -15.751 1.00 0.00 ATOM 11 CB SER A 2 9.988 27.416 -17.079 1.00 0.00 ATOM 12 OG SER A 2 10.376 26.283 -17.855 1.00 0.00 ATOM 13 O SER A 2 11.090 26.329 -14.310 1.00 0.00 ATOM 14 C SER A 2 10.047 26.018 -14.868 1.00 0.00 ATOM 15 N ILE A 3 9.500 24.825 -14.725 1.00 0.00 ATOM 16 CA ILE A 3 10.101 23.850 -13.843 1.00 0.00 ATOM 17 CB ILE A 3 9.185 23.483 -12.638 1.00 0.00 ATOM 18 CG1 ILE A 3 9.021 24.662 -11.654 1.00 0.00 ATOM 19 CG2 ILE A 3 9.754 22.230 -11.928 1.00 0.00 ATOM 20 CD1 ILE A 3 10.314 25.365 -11.252 1.00 0.00 ATOM 21 O ILE A 3 9.367 22.080 -15.274 1.00 0.00 ATOM 22 C ILE A 3 10.272 22.526 -14.579 1.00 0.00 ATOM 23 N THR A 4 11.443 21.921 -14.358 1.00 0.00 ATOM 24 CA THR A 4 11.711 20.616 -14.990 1.00 0.00 ATOM 25 CB THR A 4 13.172 20.137 -14.811 1.00 0.00 ATOM 26 CG2 THR A 4 13.493 19.026 -15.773 1.00 0.00 ATOM 27 OG1 THR A 4 14.081 21.171 -15.195 1.00 0.00 ATOM 28 O THR A 4 10.342 18.678 -15.269 1.00 0.00 ATOM 29 C THR A 4 10.801 19.508 -14.484 1.00 0.00 ATOM 30 N SER A 5 10.563 19.489 -13.110 1.00 0.00 ATOM 31 CA SER A 5 9.682 18.486 -12.512 1.00 0.00 ATOM 32 CB SER A 5 9.497 18.737 -11.014 1.00 0.00 ATOM 33 OG SER A 5 10.708 18.532 -10.309 1.00 0.00 ATOM 34 O SER A 5 7.777 17.406 -13.498 1.00 0.00 ATOM 35 C SER A 5 8.280 18.464 -13.128 1.00 0.00 ATOM 36 N THR A 6 7.643 19.630 -13.215 1.00 0.00 ATOM 37 CA THR A 6 6.286 19.708 -13.754 1.00 0.00 ATOM 38 CB THR A 6 5.758 21.155 -13.747 1.00 0.00 ATOM 39 CG2 THR A 6 4.362 21.216 -14.349 1.00 0.00 ATOM 40 OG1 THR A 6 5.703 21.641 -12.400 1.00 0.00 ATOM 41 O THR A 6 5.341 18.443 -15.535 1.00 0.00 ATOM 42 C THR A 6 6.226 19.232 -15.194 1.00 0.00 ATOM 43 N ASP A 7 7.220 19.667 -16.006 1.00 0.00 ATOM 44 CA ASP A 7 7.292 19.239 -17.408 1.00 0.00 ATOM 45 CB ASP A 7 8.438 19.966 -18.115 1.00 0.00 ATOM 46 CG ASP A 7 8.198 21.458 -18.232 1.00 0.00 ATOM 47 OD1 ASP A 7 7.087 21.851 -18.648 1.00 0.00 ATOM 48 OD2 ASP A 7 9.121 22.235 -17.906 1.00 0.00 ATOM 49 O ASP A 7 6.973 17.100 -18.448 1.00 0.00 ATOM 50 C ASP A 7 7.521 17.731 -17.547 1.00 0.00 ATOM 51 N ILE A 8 8.325 17.159 -16.653 1.00 0.00 ATOM 52 CA ILE A 8 8.582 15.720 -16.666 1.00 0.00 ATOM 53 CB ILE A 8 9.632 15.343 -15.609 1.00 0.00 ATOM 54 CG1 ILE A 8 10.992 15.919 -16.024 1.00 0.00 ATOM 55 CG2 ILE A 8 9.710 13.827 -15.444 1.00 0.00 ATOM 56 CD1 ILE A 8 12.054 15.820 -14.948 1.00 0.00 ATOM 57 O ILE A 8 6.950 14.011 -17.108 1.00 0.00 ATOM 58 C ILE A 8 7.287 14.962 -16.399 1.00 0.00 ATOM 59 N CYS A 9 6.545 15.362 -15.362 1.00 0.00 ATOM 60 CA CYS A 9 5.295 14.663 -15.049 1.00 0.00 ATOM 61 CB CYS A 9 4.699 15.250 -13.767 1.00 0.00 ATOM 62 SG CYS A 9 5.628 14.861 -12.266 1.00 0.00 ATOM 63 O CYS A 9 3.611 13.882 -16.573 1.00 0.00 ATOM 64 C CYS A 9 4.303 14.827 -16.195 1.00 0.00 ATOM 65 N GLN A 10 4.236 16.021 -16.765 1.00 0.00 ATOM 66 CA GLN A 10 3.305 16.242 -17.863 1.00 0.00 ATOM 67 CB GLN A 10 3.331 17.714 -18.277 1.00 0.00 ATOM 68 CG GLN A 10 2.766 18.664 -17.231 1.00 0.00 ATOM 69 CD GLN A 10 2.941 20.121 -17.610 1.00 0.00 ATOM 70 OE1 GLN A 10 3.582 20.438 -18.612 1.00 0.00 ATOM 71 NE2 GLN A 10 2.369 21.012 -16.808 1.00 0.00 ATOM 72 O GLN A 10 2.763 14.848 -19.746 1.00 0.00 ATOM 73 C GLN A 10 3.644 15.421 -19.106 1.00 0.00 ATOM 74 N ALA A 11 4.930 15.346 -19.436 1.00 0.00 ATOM 75 CA ALA A 11 5.349 14.589 -20.609 1.00 0.00 ATOM 76 CB ALA A 11 6.821 14.765 -20.867 1.00 0.00 ATOM 77 O ALA A 11 4.495 12.470 -21.324 1.00 0.00 ATOM 78 C ALA A 11 5.091 13.096 -20.446 1.00 0.00 ATOM 79 N ALA A 12 5.561 12.506 -19.353 1.00 0.00 ATOM 80 CA ALA A 12 5.382 11.076 -19.145 1.00 0.00 ATOM 81 CB ALA A 12 6.135 10.614 -17.911 1.00 0.00 ATOM 82 O ALA A 12 3.541 9.543 -19.265 1.00 0.00 ATOM 83 C ALA A 12 3.909 10.692 -19.017 1.00 0.00 ATOM 84 N ASP A 13 3.066 11.651 -18.646 1.00 0.00 ATOM 85 CA ASP A 13 1.636 11.393 -18.526 1.00 0.00 ATOM 86 CB ASP A 13 0.926 12.591 -17.894 1.00 0.00 ATOM 87 CG ASP A 13 -0.459 12.246 -17.387 1.00 0.00 ATOM 88 OD1 ASP A 13 -0.576 11.312 -16.568 1.00 0.00 ATOM 89 OD2 ASP A 13 -1.431 12.912 -17.807 1.00 0.00 ATOM 90 O ASP A 13 0.049 10.416 -20.027 1.00 0.00 ATOM 91 C ASP A 13 1.067 11.094 -19.905 1.00 0.00 ATOM 92 N ALA A 14 1.723 11.589 -20.945 1.00 0.00 ATOM 93 CA ALA A 14 1.298 11.359 -22.315 1.00 0.00 ATOM 94 CB ALA A 14 1.944 12.373 -23.248 1.00 0.00 ATOM 95 O ALA A 14 1.183 9.446 -23.760 1.00 0.00 ATOM 96 C ALA A 14 1.683 9.952 -22.752 1.00 0.00 ATOM 97 N LEU A 15 2.579 9.329 -21.987 1.00 0.00 ATOM 98 CA LEU A 15 3.067 7.990 -22.292 1.00 0.00 ATOM 99 CB LEU A 15 4.582 7.868 -22.008 1.00 0.00 ATOM 100 CG LEU A 15 5.206 6.484 -22.256 1.00 0.00 ATOM 101 CD1 LEU A 15 5.134 6.130 -23.731 1.00 0.00 ATOM 102 CD2 LEU A 15 6.636 6.456 -21.793 1.00 0.00 ATOM 103 O LEU A 15 1.957 5.880 -21.964 1.00 0.00 ATOM 104 C LEU A 15 2.412 6.898 -21.441 1.00 0.00 ATOM 105 N LYS A 16 2.371 7.100 -20.129 1.00 0.00 ATOM 106 CA LYS A 16 1.769 6.105 -19.263 1.00 0.00 ATOM 107 CB LYS A 16 2.839 5.197 -18.643 1.00 0.00 ATOM 108 CG LYS A 16 2.261 4.070 -17.766 1.00 0.00 ATOM 109 CD LYS A 16 3.271 2.949 -17.506 1.00 0.00 ATOM 110 CE LYS A 16 2.611 1.682 -16.944 1.00 0.00 ATOM 111 NZ LYS A 16 3.518 0.501 -16.987 1.00 0.00 ATOM 112 O LYS A 16 1.477 7.825 -17.617 1.00 0.00 ATOM 113 C LYS A 16 1.180 6.689 -17.991 1.00 0.00 ATOM 114 N GLY A 17 0.305 5.934 -17.339 1.00 0.00 ATOM 115 CA GLY A 17 -0.229 6.381 -16.044 1.00 0.00 ATOM 116 O GLY A 17 0.323 6.909 -13.798 1.00 0.00 ATOM 117 C GLY A 17 0.658 6.298 -14.831 1.00 0.00 ATOM 118 N PHE A 18 1.905 5.671 -14.840 1.00 0.00 ATOM 119 CA PHE A 18 2.729 5.484 -13.620 1.00 0.00 ATOM 120 CB PHE A 18 2.607 4.075 -13.038 1.00 0.00 ATOM 121 CG PHE A 18 1.201 3.685 -12.678 1.00 0.00 ATOM 122 CD1 PHE A 18 0.405 3.002 -13.581 1.00 0.00 ATOM 123 CD2 PHE A 18 0.676 4.002 -11.437 1.00 0.00 ATOM 124 CE1 PHE A 18 -0.888 2.645 -13.250 1.00 0.00 ATOM 125 CE2 PHE A 18 -0.618 3.645 -11.108 1.00 0.00 ATOM 126 CZ PHE A 18 -1.400 2.969 -12.008 1.00 0.00 ATOM 127 O PHE A 18 4.656 5.549 -15.027 1.00 0.00 ATOM 128 C PHE A 18 4.192 5.751 -13.908 1.00 0.00 ATOM 129 N VAL A 19 4.918 6.213 -12.900 1.00 0.00 ATOM 130 CA VAL A 19 6.335 6.488 -13.065 1.00 0.00 ATOM 131 CB VAL A 19 6.640 8.023 -12.982 1.00 0.00 ATOM 132 CG1 VAL A 19 6.112 8.638 -11.686 1.00 0.00 ATOM 133 CG2 VAL A 19 8.130 8.313 -13.155 1.00 0.00 ATOM 134 O VAL A 19 6.782 5.633 -10.845 1.00 0.00 ATOM 135 C VAL A 19 7.109 5.677 -12.038 1.00 0.00 ATOM 136 N GLY A 20 8.174 5.043 -12.482 1.00 0.00 ATOM 137 CA GLY A 20 9.093 4.331 -11.584 1.00 0.00 ATOM 138 O GLY A 20 10.877 5.782 -12.254 1.00 0.00 ATOM 139 C GLY A 20 10.239 5.306 -11.320 1.00 0.00 ATOM 140 N PHE A 21 10.529 5.796 -10.046 1.00 0.00 ATOM 141 CA PHE A 21 11.557 6.736 -9.626 1.00 0.00 ATOM 142 CB PHE A 21 11.048 7.707 -8.551 1.00 0.00 ATOM 143 CG PHE A 21 9.995 8.680 -9.132 1.00 0.00 ATOM 144 CD1 PHE A 21 8.676 8.288 -9.387 1.00 0.00 ATOM 145 CD2 PHE A 21 10.402 9.969 -9.489 1.00 0.00 ATOM 146 CE1 PHE A 21 7.743 9.189 -9.894 1.00 0.00 ATOM 147 CE2 PHE A 21 9.474 10.858 -10.037 1.00 0.00 ATOM 148 CZ PHE A 21 8.149 10.481 -10.256 1.00 0.00 ATOM 149 O PHE A 21 12.480 5.222 -8.013 1.00 0.00 ATOM 150 C PHE A 21 12.690 5.933 -8.992 1.00 0.00 ATOM 151 N ASN A 22 13.872 6.018 -9.594 1.00 0.00 ATOM 152 CA ASN A 22 15.047 5.301 -9.109 1.00 0.00 ATOM 153 CB ASN A 22 15.641 4.447 -10.232 1.00 0.00 ATOM 154 CG ASN A 22 16.801 3.593 -9.761 1.00 0.00 ATOM 155 ND2 ASN A 22 16.594 2.282 -9.723 1.00 0.00 ATOM 156 OD1 ASN A 22 17.872 4.107 -9.436 1.00 0.00 ATOM 157 O ASN A 22 16.719 6.961 -9.489 1.00 0.00 ATOM 158 C ASN A 22 16.209 6.180 -8.686 1.00 0.00 ATOM 159 N ARG A 23 16.549 6.190 -7.328 1.00 0.00 ATOM 160 CA ARG A 23 17.634 7.029 -6.837 1.00 0.00 ATOM 161 CB ARG A 23 17.022 7.884 -5.697 1.00 0.00 ATOM 162 CG ARG A 23 16.410 7.061 -4.582 1.00 0.00 ATOM 163 CD ARG A 23 16.510 7.791 -3.255 1.00 0.00 ATOM 164 NE ARG A 23 17.871 7.715 -2.733 1.00 0.00 ATOM 165 CZ ARG A 23 18.317 8.370 -1.665 1.00 0.00 ATOM 166 NH1 ARG A 23 17.512 9.177 -0.988 1.00 0.00 ATOM 167 NH2 ARG A 23 19.569 8.197 -1.263 1.00 0.00 ATOM 168 O ARG A 23 18.889 5.116 -6.116 1.00 0.00 ATOM 169 C ARG A 23 18.918 6.250 -6.592 1.00 0.00 ATOM 170 N LYS A 24 20.065 6.812 -6.991 1.00 0.00 ATOM 171 CA LYS A 24 21.376 6.231 -6.764 1.00 0.00 ATOM 172 CB LYS A 24 21.646 5.148 -7.810 1.00 0.00 ATOM 173 CG LYS A 24 21.698 5.663 -9.239 1.00 0.00 ATOM 174 CD LYS A 24 22.024 4.549 -10.218 1.00 0.00 ATOM 175 CE LYS A 24 22.026 5.053 -11.651 1.00 0.00 ATOM 176 NZ LYS A 24 22.384 3.982 -12.619 1.00 0.00 ATOM 177 O LYS A 24 22.027 8.492 -6.958 1.00 0.00 ATOM 178 C LYS A 24 22.398 7.321 -6.940 1.00 0.00 ATOM 179 N THR A 25 23.740 6.862 -6.901 1.00 0.00 ATOM 180 CA THR A 25 24.794 7.867 -6.888 1.00 0.00 ATOM 181 CB THR A 25 26.095 7.254 -6.334 1.00 0.00 ATOM 182 CG2 THR A 25 27.173 8.319 -6.207 1.00 0.00 ATOM 183 OG1 THR A 25 25.848 6.684 -5.043 1.00 0.00 ATOM 184 O THR A 25 25.498 7.761 -9.180 1.00 0.00 ATOM 185 C THR A 25 25.093 8.474 -8.258 1.00 0.00 ATOM 186 N GLY A 26 24.785 9.734 -8.416 1.00 0.00 ATOM 187 CA GLY A 26 25.036 10.407 -9.679 1.00 0.00 ATOM 188 O GLY A 26 23.834 12.266 -10.653 1.00 0.00 ATOM 189 C GLY A 26 23.739 11.202 -10.058 1.00 0.00 ATOM 190 N ARG A 27 22.414 10.502 -9.333 1.00 0.00 ATOM 191 CA ARG A 27 21.163 11.153 -9.716 1.00 0.00 ATOM 192 CB ARG A 27 21.056 11.211 -11.244 1.00 0.00 ATOM 193 CG ARG A 27 20.976 9.857 -11.915 1.00 0.00 ATOM 194 CD ARG A 27 21.264 10.015 -13.394 1.00 0.00 ATOM 195 NE ARG A 27 22.559 10.660 -13.586 1.00 0.00 ATOM 196 CZ ARG A 27 23.041 11.049 -14.761 1.00 0.00 ATOM 197 NH1 ARG A 27 22.332 10.859 -15.865 1.00 0.00 ATOM 198 NH2 ARG A 27 24.232 11.631 -14.828 1.00 0.00 ATOM 199 O ARG A 27 19.922 9.224 -8.944 1.00 0.00 ATOM 200 C ARG A 27 19.902 10.311 -9.519 1.00 0.00 ATOM 201 N TYR A 28 18.793 10.861 -10.001 1.00 0.00 ATOM 202 CA TYR A 28 17.495 10.210 -9.909 1.00 0.00 ATOM 203 CB TYR A 28 16.544 11.088 -9.103 1.00 0.00 ATOM 204 CG TYR A 28 17.096 11.439 -7.739 1.00 0.00 ATOM 205 CD1 TYR A 28 17.958 12.522 -7.568 1.00 0.00 ATOM 206 CD2 TYR A 28 16.781 10.668 -6.626 1.00 0.00 ATOM 207 CE1 TYR A 28 18.492 12.827 -6.311 1.00 0.00 ATOM 208 CE2 TYR A 28 17.307 10.961 -5.370 1.00 0.00 ATOM 209 CZ TYR A 28 18.158 12.040 -5.221 1.00 0.00 ATOM 210 OH TYR A 28 18.676 12.325 -3.973 1.00 0.00 ATOM 211 O TYR A 28 16.999 10.929 -12.152 1.00 0.00 ATOM 212 C TYR A 28 16.906 10.034 -11.303 1.00 0.00 ATOM 213 N ILE A 29 16.315 8.871 -11.549 1.00 0.00 ATOM 214 CA ILE A 29 15.733 8.600 -12.851 1.00 0.00 ATOM 215 CB ILE A 29 16.386 7.360 -13.491 1.00 0.00 ATOM 216 CG1 ILE A 29 17.885 7.591 -13.692 1.00 0.00 ATOM 217 CG2 ILE A 29 15.759 7.069 -14.847 1.00 0.00 ATOM 218 CD1 ILE A 29 18.649 6.345 -14.079 1.00 0.00 ATOM 219 O ILE A 29 13.755 7.601 -11.939 1.00 0.00 ATOM 220 C ILE A 29 14.240 8.323 -12.808 1.00 0.00 ATOM 221 N VAL A 30 13.506 8.860 -13.774 1.00 0.00 ATOM 222 CA VAL A 30 12.077 8.629 -13.880 1.00 0.00 ATOM 223 CB VAL A 30 11.366 9.977 -13.868 1.00 0.00 ATOM 224 CG1 VAL A 30 9.837 9.860 -13.987 1.00 0.00 ATOM 225 CG2 VAL A 30 11.747 10.807 -12.659 1.00 0.00 ATOM 226 O VAL A 30 12.105 8.327 -16.261 1.00 0.00 ATOM 227 C VAL A 30 11.818 7.843 -15.161 1.00 0.00 ATOM 228 N ARG A 31 11.289 6.601 -15.045 1.00 0.00 ATOM 229 CA ARG A 31 11.053 5.758 -16.210 1.00 0.00 ATOM 230 CB ARG A 31 11.816 4.453 -16.022 1.00 0.00 ATOM 231 CG ARG A 31 13.290 4.606 -15.842 1.00 0.00 ATOM 232 CD ARG A 31 13.870 3.298 -15.380 1.00 0.00 ATOM 233 NE ARG A 31 15.222 3.469 -14.880 1.00 0.00 ATOM 234 CZ ARG A 31 16.297 3.467 -15.653 1.00 0.00 ATOM 235 NH1 ARG A 31 16.166 3.291 -16.956 1.00 0.00 ATOM 236 NH2 ARG A 31 17.502 3.678 -15.139 1.00 0.00 ATOM 237 O ARG A 31 8.821 5.337 -15.417 1.00 0.00 ATOM 238 C ARG A 31 9.567 5.467 -16.390 1.00 0.00 ATOM 239 N PHE A 32 9.156 5.362 -17.647 1.00 0.00 ATOM 240 CA PHE A 32 7.773 5.075 -17.984 1.00 0.00 ATOM 241 CB PHE A 32 6.931 6.319 -18.043 1.00 0.00 ATOM 242 CG PHE A 32 7.590 7.452 -18.725 1.00 0.00 ATOM 243 CD1 PHE A 32 7.615 7.521 -20.112 1.00 0.00 ATOM 244 CD2 PHE A 32 8.249 8.427 -17.995 1.00 0.00 ATOM 245 CE1 PHE A 32 8.249 8.566 -20.752 1.00 0.00 ATOM 246 CE2 PHE A 32 8.865 9.498 -18.658 1.00 0.00 ATOM 247 CZ PHE A 32 8.873 9.543 -20.015 1.00 0.00 ATOM 248 O PHE A 32 8.764 4.404 -20.060 1.00 0.00 ATOM 249 C PHE A 32 7.795 4.317 -19.308 1.00 0.00 ATOM 250 N SER A 33 6.834 3.342 -19.542 1.00 0.00 ATOM 251 CA SER A 33 6.800 2.571 -20.776 1.00 0.00 ATOM 252 CB SER A 33 7.457 1.221 -20.543 1.00 0.00 ATOM 253 OG SER A 33 7.260 0.353 -21.645 1.00 0.00 ATOM 254 O SER A 33 4.457 2.231 -20.412 1.00 0.00 ATOM 255 C SER A 33 5.363 2.407 -21.229 1.00 0.00 ATOM 256 N GLU A 34 5.148 2.469 -22.540 1.00 0.00 ATOM 257 CA GLU A 34 3.824 2.297 -23.090 1.00 0.00 ATOM 258 CB GLU A 34 3.117 3.694 -23.269 1.00 0.00 ATOM 259 CG GLU A 34 1.647 3.670 -23.679 1.00 0.00 ATOM 260 CD GLU A 34 0.758 2.954 -22.676 1.00 0.00 ATOM 261 OE1 GLU A 34 0.720 3.389 -21.504 1.00 0.00 ATOM 262 OE2 GLU A 34 0.089 1.965 -23.057 1.00 0.00 ATOM 263 O GLU A 34 4.945 1.445 -25.015 1.00 0.00 ATOM 264 C GLU A 34 3.872 1.764 -24.498 1.00 0.00 ATOM 265 N ASP A 35 2.715 1.720 -25.144 1.00 0.00 ATOM 266 CA ASP A 35 2.633 1.196 -26.493 1.00 0.00 ATOM 267 CB ASP A 35 1.199 1.283 -27.017 1.00 0.00 ATOM 268 CG ASP A 35 0.281 0.261 -26.373 1.00 0.00 ATOM 269 OD1 ASP A 35 0.794 -0.658 -25.702 1.00 0.00 ATOM 270 OD2 ASP A 35 -0.951 0.381 -26.539 1.00 0.00 ATOM 271 O ASP A 35 4.011 1.320 -28.443 1.00 0.00 ATOM 272 C ASP A 35 3.507 1.936 -27.505 1.00 0.00 ATOM 273 N SER A 36 3.747 3.291 -27.297 1.00 0.00 ATOM 274 CA SER A 36 4.594 4.006 -28.246 1.00 0.00 ATOM 275 CB SER A 36 3.735 5.582 -27.985 1.00 0.00 ATOM 276 OG SER A 36 4.696 6.221 -27.156 1.00 0.00 ATOM 277 O SER A 36 6.909 4.295 -28.779 1.00 0.00 ATOM 278 C SER A 36 6.087 3.839 -27.988 1.00 0.00 ATOM 279 N PHE A 37 6.438 3.187 -26.885 1.00 0.00 ATOM 280 CA PHE A 37 7.839 2.973 -26.575 1.00 0.00 ATOM 281 CB PHE A 37 8.716 4.177 -26.949 1.00 0.00 ATOM 282 CG PHE A 37 9.107 4.230 -28.415 1.00 0.00 ATOM 283 CD1 PHE A 37 8.507 3.400 -29.385 1.00 0.00 ATOM 284 CD2 PHE A 37 10.074 5.157 -28.834 1.00 0.00 ATOM 285 CE1 PHE A 37 8.890 3.484 -30.748 1.00 0.00 ATOM 286 CE2 PHE A 37 10.459 5.249 -30.178 1.00 0.00 ATOM 287 CZ PHE A 37 9.860 4.400 -31.141 1.00 0.00 ATOM 288 O PHE A 37 7.045 3.464 -24.333 1.00 0.00 ATOM 289 C PHE A 37 8.012 3.217 -25.076 1.00 0.00 ATOM 290 N GLY A 38 9.381 3.247 -24.570 1.00 0.00 ATOM 291 CA GLY A 38 9.667 3.622 -23.194 1.00 0.00 ATOM 292 O GLY A 38 11.392 5.080 -24.015 1.00 0.00 ATOM 293 C GLY A 38 10.630 4.794 -23.086 1.00 0.00 ATOM 294 N MET A 39 10.582 5.474 -21.950 1.00 0.00 ATOM 295 CA MET A 39 11.458 6.611 -21.754 1.00 0.00 ATOM 296 CB MET A 39 10.689 7.912 -22.007 1.00 0.00 ATOM 297 CG MET A 39 10.453 8.171 -23.469 1.00 0.00 ATOM 298 SD MET A 39 9.454 9.826 -23.697 1.00 0.00 ATOM 299 CE MET A 39 8.167 9.138 -23.521 1.00 0.00 ATOM 300 O MET A 39 11.378 6.237 -19.385 1.00 0.00 ATOM 301 C MET A 39 11.980 6.734 -20.340 1.00 0.00 ATOM 302 N ASP A 40 13.127 7.382 -20.211 1.00 0.00 ATOM 303 CA ASP A 40 13.714 7.597 -18.906 1.00 0.00 ATOM 304 CB ASP A 40 14.434 6.792 -18.212 1.00 0.00 ATOM 305 CG ASP A 40 15.130 5.626 -18.904 1.00 0.00 ATOM 306 OD1 ASP A 40 16.346 5.431 -18.675 1.00 0.00 ATOM 307 OD2 ASP A 40 14.462 4.888 -19.661 1.00 0.00 ATOM 308 O ASP A 40 15.041 9.373 -19.830 1.00 0.00 ATOM 309 C ASP A 40 14.341 8.979 -18.895 1.00 0.00 ATOM 310 N VAL A 41 14.065 9.721 -17.835 1.00 0.00 ATOM 311 CA VAL A 41 14.621 11.050 -17.691 1.00 0.00 ATOM 312 CB VAL A 41 13.513 12.101 -17.464 1.00 0.00 ATOM 313 CG1 VAL A 41 14.129 13.468 -17.287 1.00 0.00 ATOM 314 CG2 VAL A 41 12.543 12.107 -18.630 1.00 0.00 ATOM 315 O VAL A 41 15.139 10.571 -15.390 1.00 0.00 ATOM 316 C VAL A 41 15.558 10.970 -16.490 1.00 0.00 ATOM 317 N ALA A 42 16.773 11.356 -16.675 1.00 0.00 ATOM 318 CA ALA A 42 17.740 11.309 -15.583 1.00 0.00 ATOM 319 CB ALA A 42 18.975 10.544 -16.036 1.00 0.00 ATOM 320 O ALA A 42 18.385 13.569 -16.029 1.00 0.00 ATOM 321 C ALA A 42 18.150 12.715 -15.175 1.00 0.00 ATOM 322 N ASP A 43 18.199 12.943 -13.881 1.00 0.00 ATOM 323 CA ASP A 43 18.597 14.245 -13.289 1.00 0.00 ATOM 324 CB ASP A 43 20.015 14.405 -13.008 1.00 0.00 ATOM 325 CG ASP A 43 20.986 13.572 -13.803 1.00 0.00 ATOM 326 OD1 ASP A 43 20.595 12.666 -14.573 1.00 0.00 ATOM 327 OD2 ASP A 43 22.206 13.840 -13.653 1.00 0.00 ATOM 328 O ASP A 43 18.146 16.478 -14.024 1.00 0.00 ATOM 329 C ASP A 43 17.672 15.376 -13.715 1.00 0.00 ATOM 330 N ASP A 44 16.389 15.030 -13.777 1.00 0.00 ATOM 331 CA ASP A 44 15.376 16.014 -14.159 1.00 0.00 ATOM 332 CB ASP A 44 13.936 15.371 -13.482 1.00 0.00 ATOM 333 CG ASP A 44 13.993 13.920 -13.048 1.00 0.00 ATOM 334 OD1 ASP A 44 13.998 13.071 -13.962 1.00 0.00 ATOM 335 OD2 ASP A 44 13.994 13.633 -11.839 1.00 0.00 ATOM 336 O ASP A 44 15.274 18.357 -13.764 1.00 0.00 ATOM 337 C ASP A 44 15.370 17.239 -13.274 1.00 0.00 ATOM 338 N SER A 45 15.375 17.014 -11.883 1.00 0.00 ATOM 339 CA SER A 45 15.322 18.126 -10.936 1.00 0.00 ATOM 340 CB SER A 45 15.198 17.650 -9.506 1.00 0.00 ATOM 341 OG SER A 45 16.325 16.999 -9.028 1.00 0.00 ATOM 342 O SER A 45 16.388 20.237 -10.928 1.00 0.00 ATOM 343 C SER A 45 16.531 19.053 -11.101 1.00 0.00 ATOM 344 N ILE A 46 17.692 18.527 -11.468 1.00 0.00 ATOM 345 CA ILE A 46 18.857 19.391 -11.736 1.00 0.00 ATOM 346 CB ILE A 46 20.197 18.695 -11.447 1.00 0.00 ATOM 347 CG1 ILE A 46 20.313 18.032 -10.077 1.00 0.00 ATOM 348 CG2 ILE A 46 21.421 19.561 -11.735 1.00 0.00 ATOM 349 CD1 ILE A 46 21.456 17.053 -9.967 1.00 0.00 ATOM 350 O ILE A 46 19.165 19.415 -14.128 1.00 0.00 ATOM 351 C ILE A 46 18.761 20.009 -13.127 1.00 0.00 ATOM 352 N THR A 47 18.071 21.219 -13.179 1.00 0.00 ATOM 353 CA THR A 47 17.892 21.967 -14.414 1.00 0.00 ATOM 354 CB THR A 47 17.489 23.434 -14.214 1.00 0.00 ATOM 355 CG2 THR A 47 17.675 24.237 -15.488 1.00 0.00 ATOM 356 OG1 THR A 47 16.103 23.456 -13.859 1.00 0.00 ATOM 357 O THR A 47 18.910 21.377 -16.516 1.00 0.00 ATOM 358 C THR A 47 19.105 21.789 -15.367 1.00 0.00 ATOM 359 N PRO A 48 20.332 22.090 -14.844 1.00 0.00 ATOM 360 CA PRO A 48 21.531 21.938 -15.678 1.00 0.00 ATOM 361 CB PRO A 48 22.608 22.599 -14.828 1.00 0.00 ATOM 362 CG PRO A 48 22.133 22.417 -13.435 1.00 0.00 ATOM 363 CD PRO A 48 20.665 22.630 -13.516 1.00 0.00 ATOM 364 O PRO A 48 22.553 20.308 -17.046 1.00 0.00 ATOM 365 C PRO A 48 21.819 20.501 -16.063 1.00 0.00 ATOM 366 N THR A 49 21.269 19.500 -15.332 1.00 0.00 ATOM 367 CA THR A 49 21.680 18.115 -15.694 1.00 0.00 ATOM 368 CB THR A 49 22.371 17.390 -14.509 1.00 0.00 ATOM 369 CG2 THR A 49 23.399 18.246 -13.838 1.00 0.00 ATOM 370 OG1 THR A 49 21.401 16.988 -13.555 1.00 0.00 ATOM 371 O THR A 49 20.892 16.028 -16.571 1.00 0.00 ATOM 372 C THR A 49 20.611 17.192 -16.284 1.00 0.00 ATOM 373 N SER A 50 19.425 17.736 -16.550 1.00 0.00 ATOM 374 CA SER A 50 18.318 16.920 -17.052 1.00 0.00 ATOM 375 CB SER A 50 17.001 17.674 -17.036 1.00 0.00 ATOM 376 OG SER A 50 16.646 18.113 -15.735 1.00 0.00 ATOM 377 O SER A 50 18.968 17.070 -19.359 1.00 0.00 ATOM 378 C SER A 50 18.576 16.341 -18.440 1.00 0.00 ATOM 379 N GLU A 51 18.541 14.862 -18.711 1.00 0.00 ATOM 380 CA GLU A 51 18.591 14.169 -19.989 1.00 0.00 ATOM 381 CB GLU A 51 19.726 13.162 -19.996 1.00 0.00 ATOM 382 CG GLU A 51 21.118 13.772 -20.052 1.00 0.00 ATOM 383 CD GLU A 51 22.223 12.724 -19.934 1.00 0.00 ATOM 384 OE1 GLU A 51 21.996 11.646 -19.338 1.00 0.00 ATOM 385 OE2 GLU A 51 23.331 12.980 -20.437 1.00 0.00 ATOM 386 O GLU A 51 16.976 12.544 -19.285 1.00 0.00 ATOM 387 C GLU A 51 17.330 13.327 -20.169 1.00 0.00 ATOM 388 N PHE A 52 16.726 13.447 -21.314 1.00 0.00 ATOM 389 CA PHE A 52 15.520 12.711 -21.627 1.00 0.00 ATOM 390 CB PHE A 52 14.408 13.597 -22.230 1.00 0.00 ATOM 391 CG PHE A 52 13.979 14.700 -21.317 1.00 0.00 ATOM 392 CD1 PHE A 52 14.621 15.934 -21.363 1.00 0.00 ATOM 393 CD2 PHE A 52 12.995 14.470 -20.360 1.00 0.00 ATOM 394 CE1 PHE A 52 14.290 16.926 -20.469 1.00 0.00 ATOM 395 CE2 PHE A 52 12.654 15.485 -19.444 1.00 0.00 ATOM 396 CZ PHE A 52 13.315 16.723 -19.511 1.00 0.00 ATOM 397 O PHE A 52 16.467 12.037 -23.679 1.00 0.00 ATOM 398 C PHE A 52 15.929 11.682 -22.625 1.00 0.00 ATOM 399 N VAL A 53 15.701 10.419 -22.340 1.00 0.00 ATOM 400 CA VAL A 53 16.149 9.320 -23.173 1.00 0.00 ATOM 401 CB VAL A 53 16.956 8.300 -22.382 1.00 0.00 ATOM 402 CG1 VAL A 53 17.198 7.050 -23.220 1.00 0.00 ATOM 403 CG2 VAL A 53 18.270 8.944 -21.965 1.00 0.00 ATOM 404 O VAL A 53 14.025 8.287 -22.769 1.00 0.00 ATOM 405 C VAL A 53 14.945 8.483 -23.593 1.00 0.00 ATOM 406 N TRP A 54 14.936 7.992 -24.806 1.00 0.00 ATOM 407 CA TRP A 54 13.882 7.042 -25.193 1.00 0.00 ATOM 408 CB TRP A 54 12.725 7.716 -25.863 1.00 0.00 ATOM 409 CG TRP A 54 13.099 8.560 -26.990 1.00 0.00 ATOM 410 CD1 TRP A 54 13.415 8.193 -28.270 1.00 0.00 ATOM 411 CD2 TRP A 54 13.145 9.985 -26.902 1.00 0.00 ATOM 412 CE2 TRP A 54 13.516 10.438 -28.184 1.00 0.00 ATOM 413 CE3 TRP A 54 12.933 10.950 -25.923 1.00 0.00 ATOM 414 NE1 TRP A 54 13.673 9.339 -29.004 1.00 0.00 ATOM 415 CZ2 TRP A 54 13.671 11.785 -28.492 1.00 0.00 ATOM 416 CZ3 TRP A 54 13.081 12.277 -26.204 1.00 0.00 ATOM 417 CH2 TRP A 54 13.453 12.686 -27.492 1.00 0.00 ATOM 418 O TRP A 54 15.615 5.824 -26.257 1.00 0.00 ATOM 419 C TRP A 54 14.519 5.783 -25.682 1.00 0.00 ATOM 420 N SER A 55 13.849 4.655 -25.416 1.00 0.00 ATOM 421 CA SER A 55 14.186 3.399 -26.060 1.00 0.00 ATOM 422 CB SER A 55 14.532 2.339 -25.032 1.00 0.00 ATOM 423 OG SER A 55 14.617 1.077 -25.669 1.00 0.00 ATOM 424 O SER A 55 11.872 2.796 -26.242 1.00 0.00 ATOM 425 C SER A 55 12.940 2.989 -26.827 1.00 0.00 ATOM 426 N SER A 56 13.112 2.847 -28.106 1.00 0.00 ATOM 427 CA SER A 56 12.024 2.456 -28.990 1.00 0.00 ATOM 428 CB SER A 56 12.423 2.705 -30.481 1.00 0.00 ATOM 429 OG SER A 56 13.456 1.827 -30.902 1.00 0.00 ATOM 430 O SER A 56 12.525 0.218 -28.282 1.00 0.00 ATOM 431 C SER A 56 11.772 0.946 -28.890 1.00 0.00 ATOM 432 N VAL A 57 10.667 0.503 -29.449 1.00 0.00 ATOM 433 CA VAL A 57 10.224 -0.864 -29.287 1.00 0.00 ATOM 434 CB VAL A 57 8.682 -0.725 -29.896 1.00 0.00 ATOM 435 CG1 VAL A 57 8.085 -2.108 -30.131 1.00 0.00 ATOM 436 CG2 VAL A 57 7.835 0.062 -28.902 1.00 0.00 ATOM 437 O VAL A 57 10.987 -3.017 -29.920 1.00 0.00 ATOM 438 C VAL A 57 11.115 -1.804 -30.088 1.00 0.00 ATOM 439 N ARG A 58 12.135 -1.127 -30.755 1.00 0.00 ATOM 440 CA ARG A 58 13.106 -1.979 -31.435 1.00 0.00 ATOM 441 CB ARG A 58 12.737 -1.683 -33.023 1.00 0.00 ATOM 442 CG ARG A 58 13.566 -2.458 -34.045 1.00 0.00 ATOM 443 CD ARG A 58 13.516 -1.791 -35.436 1.00 0.00 ATOM 444 NE ARG A 58 14.169 -0.485 -35.391 1.00 0.00 ATOM 445 CZ ARG A 58 13.889 0.536 -36.184 1.00 0.00 ATOM 446 NH1 ARG A 58 12.972 0.418 -37.143 1.00 0.00 ATOM 447 NH2 ARG A 58 14.553 1.679 -36.016 1.00 0.00 ATOM 448 O ARG A 58 15.333 -2.803 -31.185 1.00 0.00 ATOM 449 C ARG A 58 14.369 -2.249 -30.642 1.00 0.00 ATOM 450 N ASP A 59 14.454 -1.733 -29.424 1.00 0.00 ATOM 451 CA ASP A 59 15.628 -1.871 -28.586 1.00 0.00 ATOM 452 CB ASP A 59 15.844 -3.356 -28.260 1.00 0.00 ATOM 453 CG ASP A 59 14.689 -3.877 -27.419 1.00 0.00 ATOM 454 OD1 ASP A 59 14.405 -3.314 -26.337 1.00 0.00 ATOM 455 OD2 ASP A 59 14.016 -4.834 -27.852 1.00 0.00 ATOM 456 O ASP A 59 17.990 -1.584 -28.827 1.00 0.00 ATOM 457 C ASP A 59 16.865 -1.198 -29.158 1.00 0.00 ATOM 458 N ASP A 60 16.706 -0.064 -29.847 1.00 0.00 ATOM 459 CA ASP A 60 17.804 0.818 -30.185 1.00 0.00 ATOM 460 CB ASP A 60 17.512 1.628 -31.395 1.00 0.00 ATOM 461 CG ASP A 60 17.264 0.719 -32.577 1.00 0.00 ATOM 462 OD1 ASP A 60 18.135 -0.140 -32.867 1.00 0.00 ATOM 463 OD2 ASP A 60 16.205 0.778 -33.205 1.00 0.00 ATOM 464 O ASP A 60 19.244 2.097 -28.649 1.00 0.00 ATOM 465 C ASP A 60 18.137 1.687 -28.967 1.00 0.00 ATOM 466 N VAL A 61 18.808 3.620 -30.950 1.00 0.00 ATOM 467 CA VAL A 61 20.190 3.983 -30.870 1.00 0.00 ATOM 468 CB VAL A 61 20.364 5.236 -30.030 1.00 0.00 ATOM 469 CG1 VAL A 61 21.831 5.512 -29.740 1.00 0.00 ATOM 470 CG2 VAL A 61 19.735 6.420 -30.758 1.00 0.00 ATOM 471 O VAL A 61 20.242 2.290 -29.177 1.00 0.00 ATOM 472 C VAL A 61 20.788 2.769 -30.167 1.00 0.00 ATOM 473 N MET A 62 21.874 2.245 -30.731 1.00 0.00 ATOM 474 CA MET A 62 22.526 1.057 -30.192 1.00 0.00 ATOM 475 CB MET A 62 23.665 0.622 -31.031 1.00 0.00 ATOM 476 CG MET A 62 23.159 -0.055 -32.292 1.00 0.00 ATOM 477 SD MET A 62 22.400 -1.700 -31.976 1.00 0.00 ATOM 478 CE MET A 62 23.914 -2.654 -31.934 1.00 0.00 ATOM 479 O MET A 62 22.871 0.512 -27.899 1.00 0.00 ATOM 480 C MET A 62 23.009 1.335 -28.780 1.00 0.00 ATOM 481 N ARG A 63 23.584 2.554 -28.440 1.00 0.00 ATOM 482 CA ARG A 63 24.011 2.903 -27.080 1.00 0.00 ATOM 483 CB ARG A 63 24.681 4.273 -27.062 1.00 0.00 ATOM 484 CG ARG A 63 26.096 4.269 -27.598 1.00 0.00 ATOM 485 CD ARG A 63 26.626 5.687 -27.730 1.00 0.00 ATOM 486 NE ARG A 63 28.035 5.707 -28.105 1.00 0.00 ATOM 487 CZ ARG A 63 28.642 6.746 -28.671 1.00 0.00 ATOM 488 NH1 ARG A 63 27.961 7.853 -28.935 1.00 0.00 ATOM 489 NH2 ARG A 63 29.931 6.673 -28.972 1.00 0.00 ATOM 490 O ARG A 63 22.877 2.377 -25.029 1.00 0.00 ATOM 491 C ARG A 63 22.815 2.935 -26.108 1.00 0.00 ATOM 492 N LEU A 64 21.691 3.518 -26.529 1.00 0.00 ATOM 493 CA LEU A 64 20.504 3.615 -25.684 1.00 0.00 ATOM 494 CB LEU A 64 19.454 4.522 -26.351 1.00 0.00 ATOM 495 CG LEU A 64 19.818 6.010 -26.436 1.00 0.00 ATOM 496 CD1 LEU A 64 18.806 6.738 -27.295 1.00 0.00 ATOM 497 CD2 LEU A 64 19.867 6.620 -25.032 1.00 0.00 ATOM 498 O LEU A 64 19.470 1.944 -24.298 1.00 0.00 ATOM 499 C LEU A 64 19.934 2.225 -25.402 1.00 0.00 ATOM 500 N GLY A 65 19.921 1.365 -26.430 1.00 0.00 ATOM 501 CA GLY A 65 19.341 0.045 -26.259 1.00 0.00 ATOM 502 O GLY A 65 19.452 -1.532 -24.466 1.00 0.00 ATOM 503 C GLY A 65 20.072 -0.785 -25.221 1.00 0.00 ATOM 504 N ARG A 66 21.408 -0.633 -25.179 1.00 0.00 ATOM 505 CA ARG A 66 22.215 -1.376 -24.221 1.00 0.00 ATOM 506 CB ARG A 66 23.679 -0.996 -24.507 1.00 0.00 ATOM 507 CG ARG A 66 24.634 -1.715 -23.588 1.00 0.00 ATOM 508 CD ARG A 66 26.057 -1.424 -23.968 1.00 0.00 ATOM 509 NE ARG A 66 26.302 -2.199 -25.167 1.00 0.00 ATOM 510 CZ ARG A 66 26.659 -3.487 -25.096 1.00 0.00 ATOM 511 NH1 ARG A 66 26.758 -4.078 -23.918 1.00 0.00 ATOM 512 NH2 ARG A 66 26.878 -4.224 -26.182 1.00 0.00 ATOM 513 O ARG A 66 21.595 -1.923 -21.971 1.00 0.00 ATOM 514 C ARG A 66 21.824 -1.036 -22.790 1.00 0.00 ATOM 515 N GLU A 67 21.658 0.230 -22.558 1.00 0.00 ATOM 516 CA GLU A 67 21.267 0.671 -21.226 1.00 0.00 ATOM 517 CB GLU A 67 21.366 2.194 -21.115 1.00 0.00 ATOM 518 CG GLU A 67 22.790 2.726 -21.142 1.00 0.00 ATOM 519 CD GLU A 67 22.845 4.241 -21.155 1.00 0.00 ATOM 520 OE1 GLU A 67 21.771 4.874 -21.214 1.00 0.00 ATOM 521 OE2 GLU A 67 23.963 4.797 -21.105 1.00 0.00 ATOM 522 O GLU A 67 19.555 -0.214 -19.773 1.00 0.00 ATOM 523 C GLU A 67 19.841 0.227 -20.889 1.00 0.00 ATOM 524 N GLN A 68 18.956 0.312 -21.875 1.00 0.00 ATOM 525 CA GLN A 68 17.570 -0.069 -21.649 1.00 0.00 ATOM 526 CB GLN A 68 16.699 0.428 -22.750 1.00 0.00 ATOM 527 CG GLN A 68 16.689 2.013 -22.708 1.00 0.00 ATOM 528 CD GLN A 68 16.351 2.635 -21.281 1.00 0.00 ATOM 529 OE1 GLN A 68 17.182 3.362 -20.661 1.00 0.00 ATOM 530 NE2 GLN A 68 15.143 2.327 -20.774 1.00 0.00 ATOM 531 O GLN A 68 16.664 -1.999 -20.531 1.00 0.00 ATOM 532 C GLN A 68 17.432 -1.569 -21.398 1.00 0.00 ATOM 533 N LEU A 69 18.121 -2.370 -22.195 1.00 0.00 ATOM 534 CA LEU A 69 18.063 -3.815 -22.037 1.00 0.00 ATOM 535 CB LEU A 69 18.929 -4.508 -23.090 1.00 0.00 ATOM 536 CG LEU A 69 18.438 -4.421 -24.537 1.00 0.00 ATOM 537 CD1 LEU A 69 19.478 -4.989 -25.490 1.00 0.00 ATOM 538 CD2 LEU A 69 17.148 -5.205 -24.715 1.00 0.00 ATOM 539 O LEU A 69 18.004 -5.112 -20.017 1.00 0.00 ATOM 540 C LEU A 69 18.571 -4.226 -20.658 1.00 0.00 ATOM 541 N GLN A 70 19.649 -3.580 -20.219 1.00 0.00 ATOM 542 CA GLN A 70 20.251 -3.856 -18.914 1.00 0.00 ATOM 543 CB GLN A 70 21.497 -2.997 -18.691 1.00 0.00 ATOM 544 CG GLN A 70 22.687 -3.398 -19.547 1.00 0.00 ATOM 545 CD GLN A 70 23.859 -2.445 -19.399 1.00 0.00 ATOM 546 OE1 GLN A 70 23.761 -1.430 -18.710 1.00 0.00 ATOM 547 NE2 GLN A 70 24.971 -2.774 -20.046 1.00 0.00 ATOM 548 O GLN A 70 19.066 -4.353 -16.864 1.00 0.00 ATOM 549 C GLN A 70 19.254 -3.541 -17.797 1.00 0.00 ATOM 550 N ILE A 71 18.564 -2.339 -17.830 1.00 0.00 ATOM 551 CA ILE A 71 17.615 -1.985 -16.771 1.00 0.00 ATOM 552 CB ILE A 71 17.206 -0.482 -16.954 1.00 0.00 ATOM 553 CG1 ILE A 71 18.415 0.428 -16.725 1.00 0.00 ATOM 554 CG2 ILE A 71 16.069 -0.131 -16.010 1.00 0.00 ATOM 555 CD1 ILE A 71 18.904 0.462 -15.291 1.00 0.00 ATOM 556 O ILE A 71 15.955 -3.305 -15.635 1.00 0.00 ATOM 557 C ILE A 71 16.413 -2.926 -16.717 1.00 0.00 ATOM 558 N LEU A 72 15.910 -3.326 -17.882 1.00 0.00 ATOM 559 CA LEU A 72 14.748 -4.205 -17.912 1.00 0.00 ATOM 560 CB LEU A 72 14.195 -4.265 -19.366 1.00 0.00 ATOM 561 CG LEU A 72 13.456 -3.029 -19.868 1.00 0.00 ATOM 562 CD1 LEU A 72 13.174 -3.190 -21.351 1.00 0.00 ATOM 563 CD2 LEU A 72 12.155 -2.847 -19.091 1.00 0.00 ATOM 564 O LEU A 72 14.267 -6.119 -16.541 1.00 0.00 ATOM 565 C LEU A 72 15.045 -5.586 -17.338 1.00 0.00 ATOM 566 N LEU A 73 16.187 -6.158 -17.715 1.00 0.00 ATOM 567 CA LEU A 73 16.551 -7.481 -17.230 1.00 0.00 ATOM 568 CB LEU A 73 17.778 -7.990 -17.990 1.00 0.00 ATOM 569 CG LEU A 73 17.620 -8.146 -19.504 1.00 0.00 ATOM 570 CD1 LEU A 73 18.937 -8.557 -20.142 1.00 0.00 ATOM 571 CD2 LEU A 73 16.580 -9.207 -19.833 1.00 0.00 ATOM 572 O LEU A 73 16.212 -8.314 -15.007 1.00 0.00 ATOM 573 C LEU A 73 16.760 -7.467 -15.725 1.00 0.00 ATOM 574 N GLU A 74 17.545 -6.511 -15.236 1.00 0.00 ATOM 575 CA GLU A 74 17.799 -6.415 -13.807 1.00 0.00 ATOM 576 CB GLU A 74 18.850 -5.397 -13.358 1.00 0.00 ATOM 577 CG GLU A 74 20.265 -5.729 -13.799 1.00 0.00 ATOM 578 CD GLU A 74 21.266 -4.664 -13.396 1.00 0.00 ATOM 579 OE1 GLU A 74 20.849 -3.658 -12.783 1.00 0.00 ATOM 580 OE2 GLU A 74 22.467 -4.834 -13.693 1.00 0.00 ATOM 581 O GLU A 74 16.440 -6.317 -11.845 1.00 0.00 ATOM 582 C GLU A 74 16.540 -6.025 -13.034 1.00 0.00 ATOM 583 N GLN A 75 15.637 -5.273 -13.657 1.00 0.00 ATOM 584 CA GLN A 75 14.421 -4.858 -12.961 1.00 0.00 ATOM 585 CB GLN A 75 13.476 -4.142 -13.929 1.00 0.00 ATOM 586 CG GLN A 75 12.174 -3.679 -13.297 1.00 0.00 ATOM 587 CD GLN A 75 11.275 -2.954 -14.277 1.00 0.00 ATOM 588 OE1 GLN A 75 11.583 -2.864 -15.466 1.00 0.00 ATOM 589 NE2 GLN A 75 10.156 -2.436 -13.783 1.00 0.00 ATOM 590 O GLN A 75 13.276 -6.080 -11.228 1.00 0.00 ATOM 591 C GLN A 75 13.649 -6.066 -12.407 1.00 0.00 ATOM 592 N ASN A 76 13.399 -6.964 -13.444 1.00 0.00 ATOM 593 CA ASN A 76 12.671 -8.183 -13.066 1.00 0.00 ATOM 594 CB ASN A 76 12.560 -9.131 -14.260 1.00 0.00 ATOM 595 CG ASN A 76 11.558 -8.653 -15.292 1.00 0.00 ATOM 596 ND2 ASN A 76 11.681 -9.157 -16.515 1.00 0.00 ATOM 597 OD1 ASN A 76 10.682 -7.840 -14.991 1.00 0.00 ATOM 598 O ASN A 76 12.745 -9.550 -11.085 1.00 0.00 ATOM 599 C ASN A 76 13.387 -8.930 -11.934 1.00 0.00 ATOM 600 N ILE A 77 14.712 -8.863 -11.922 1.00 0.00 ATOM 601 CA ILE A 77 15.453 -9.557 -10.878 1.00 0.00 ATOM 602 CB ILE A 77 16.959 -9.681 -11.327 1.00 0.00 ATOM 603 CG1 ILE A 77 17.170 -10.564 -12.558 1.00 0.00 ATOM 604 CG2 ILE A 77 17.806 -10.182 -10.165 1.00 0.00 ATOM 605 CD1 ILE A 77 18.538 -10.344 -13.169 1.00 0.00 ATOM 606 O ILE A 77 15.189 -9.683 -8.491 1.00 0.00 ATOM 607 C ILE A 77 15.127 -8.986 -9.503 1.00 0.00 ATOM 608 N ASN A 78 14.753 -7.722 -9.452 1.00 0.00 ATOM 609 CA ASN A 78 14.468 -7.082 -8.169 1.00 0.00 ATOM 610 CB ASN A 78 14.275 -5.616 -8.300 1.00 0.00 ATOM 611 CG ASN A 78 15.624 -4.899 -8.535 1.00 0.00 ATOM 612 ND2 ASN A 78 15.550 -3.647 -8.972 1.00 0.00 ATOM 613 OD1 ASN A 78 16.711 -5.473 -8.339 1.00 0.00 ATOM 614 O ASN A 78 12.959 -7.699 -6.416 1.00 0.00 ATOM 615 C ASN A 78 13.181 -7.698 -7.621 1.00 0.00 ATOM 616 N GLU A 79 12.276 -8.251 -8.522 1.00 0.00 ATOM 617 CA GLU A 79 11.054 -8.923 -8.084 1.00 0.00 ATOM 618 CB GLU A 79 10.235 -9.362 -9.326 1.00 0.00 ATOM 619 CG GLU A 79 9.548 -8.156 -9.949 1.00 0.00 ATOM 620 CD GLU A 79 8.847 -8.472 -11.251 1.00 0.00 ATOM 621 OE1 GLU A 79 8.419 -9.626 -11.430 1.00 0.00 ATOM 622 OE2 GLU A 79 8.712 -7.555 -12.086 1.00 0.00 ATOM 623 O GLU A 79 10.623 -10.584 -6.365 1.00 0.00 ATOM 624 C GLU A 79 11.413 -10.138 -7.194 1.00 0.00 ATOM 625 N ARG A 80 12.588 -10.698 -7.414 1.00 0.00 ATOM 626 CA ARG A 80 12.971 -11.897 -6.672 1.00 0.00 ATOM 627 CB ARG A 80 13.212 -13.064 -7.689 1.00 0.00 ATOM 628 CG ARG A 80 13.510 -14.399 -7.016 1.00 0.00 ATOM 629 CD ARG A 80 13.676 -15.551 -8.013 1.00 0.00 ATOM 630 NE ARG A 80 14.855 -15.401 -8.863 1.00 0.00 ATOM 631 CZ ARG A 80 14.819 -15.053 -10.145 1.00 0.00 ATOM 632 NH1 ARG A 80 13.657 -14.813 -10.746 1.00 0.00 ATOM 633 NH2 ARG A 80 15.951 -14.946 -10.830 1.00 0.00 ATOM 634 O ARG A 80 14.139 -12.114 -4.593 1.00 0.00 ATOM 635 C ARG A 80 14.077 -11.539 -5.677 1.00 0.00 ATOM 636 N LEU A 81 14.935 -10.640 -5.992 1.00 0.00 ATOM 637 CA LEU A 81 16.020 -10.242 -5.098 1.00 0.00 ATOM 638 CB LEU A 81 17.358 -10.113 -5.795 1.00 0.00 ATOM 639 CG LEU A 81 17.903 -11.435 -6.317 1.00 0.00 ATOM 640 CD1 LEU A 81 19.246 -11.286 -6.960 1.00 0.00 ATOM 641 CD2 LEU A 81 17.934 -12.498 -5.166 1.00 0.00 ATOM 642 O LEU A 81 15.127 -8.017 -5.237 1.00 0.00 ATOM 643 C LEU A 81 15.756 -8.836 -4.570 1.00 0.00 ATOM 644 N ASN A 82 16.188 -8.579 -3.325 1.00 0.00 ATOM 645 CA ASN A 82 16.041 -7.265 -2.714 1.00 0.00 ATOM 646 CB ASN A 82 16.208 -7.429 -1.216 1.00 0.00 ATOM 647 CG ASN A 82 16.092 -6.079 -0.533 1.00 0.00 ATOM 648 ND2 ASN A 82 16.706 -5.936 0.634 1.00 0.00 ATOM 649 OD1 ASN A 82 15.468 -5.181 -1.097 1.00 0.00 ATOM 650 O ASN A 82 18.215 -6.268 -2.725 1.00 0.00 ATOM 651 C ASN A 82 17.118 -6.266 -3.200 1.00 0.00 ATOM 652 N ILE A 83 16.863 -5.341 -4.211 1.00 0.00 ATOM 653 CA ILE A 83 17.834 -4.431 -4.781 1.00 0.00 ATOM 654 CB ILE A 83 17.317 -3.730 -6.079 1.00 0.00 ATOM 655 CG1 ILE A 83 18.435 -2.969 -6.797 1.00 0.00 ATOM 656 CG2 ILE A 83 16.145 -2.786 -5.741 1.00 0.00 ATOM 657 CD1 ILE A 83 18.069 -2.575 -8.212 1.00 0.00 ATOM 658 O ILE A 83 17.715 -2.737 -3.109 1.00 0.00 ATOM 659 C ILE A 83 18.429 -3.393 -3.782 1.00 0.00 ATOM 660 N GLY A 84 19.718 -3.361 -3.707 1.00 0.00 ATOM 661 CA GLY A 84 20.414 -2.599 -2.707 1.00 0.00 ATOM 662 O GLY A 84 20.969 -0.310 -2.270 1.00 0.00 ATOM 663 C GLY A 84 20.442 -1.167 -3.045 1.00 0.00 ATOM 664 N GLU A 85 19.927 -0.645 -4.186 1.00 0.00 ATOM 665 CA GLU A 85 20.002 0.693 -4.612 1.00 0.00 ATOM 666 CB GLU A 85 19.804 0.895 -6.146 1.00 0.00 ATOM 667 CG GLU A 85 20.626 -0.121 -6.972 1.00 0.00 ATOM 668 CD GLU A 85 22.091 0.101 -6.880 1.00 0.00 ATOM 669 OE1 GLU A 85 22.381 1.255 -6.351 1.00 0.00 ATOM 670 OE2 GLU A 85 22.931 -0.749 -7.148 1.00 0.00 ATOM 671 O GLU A 85 18.043 1.345 -3.390 1.00 0.00 ATOM 672 C GLU A 85 19.224 1.612 -3.653 1.00 0.00 ATOM 673 N PRO A 86 19.829 2.685 -3.210 1.00 0.00 ATOM 674 CA PRO A 86 19.172 3.449 -2.115 1.00 0.00 ATOM 675 CB PRO A 86 20.328 4.295 -1.572 1.00 0.00 ATOM 676 CG PRO A 86 21.236 4.506 -2.795 1.00 0.00 ATOM 677 CD PRO A 86 21.232 3.118 -3.412 1.00 0.00 ATOM 678 O PRO A 86 17.048 4.304 -1.818 1.00 0.00 ATOM 679 C PRO A 86 18.041 4.347 -2.559 1.00 0.00 ATOM 680 N LEU A 87 17.027 3.741 -3.784 1.00 0.00 ATOM 681 CA LEU A 87 15.593 3.617 -3.545 1.00 0.00 ATOM 682 CB LEU A 87 15.126 4.906 -2.887 1.00 0.00 ATOM 683 CG LEU A 87 13.642 5.027 -2.664 1.00 0.00 ATOM 684 CD1 LEU A 87 13.073 3.882 -1.868 1.00 0.00 ATOM 685 CD2 LEU A 87 13.365 6.357 -1.912 1.00 0.00 ATOM 686 O LEU A 87 14.966 4.558 -5.654 1.00 0.00 ATOM 687 C LEU A 87 14.806 3.645 -4.846 1.00 0.00 ATOM 688 N LEU A 88 13.908 2.681 -5.009 1.00 0.00 ATOM 689 CA LEU A 88 13.070 2.612 -6.195 1.00 0.00 ATOM 690 CB LEU A 88 13.463 1.368 -6.993 1.00 0.00 ATOM 691 CG LEU A 88 12.669 1.102 -8.272 1.00 0.00 ATOM 692 CD1 LEU A 88 12.885 2.223 -9.279 1.00 0.00 ATOM 693 CD2 LEU A 88 13.108 -0.203 -8.917 1.00 0.00 ATOM 694 O LEU A 88 11.214 1.607 -5.060 1.00 0.00 ATOM 695 C LEU A 88 11.601 2.508 -5.806 1.00 0.00 ATOM 696 N VAL A 89 10.790 3.432 -6.318 1.00 0.00 ATOM 697 CA VAL A 89 9.367 3.472 -6.007 1.00 0.00 ATOM 698 CB VAL A 89 9.063 4.553 -4.953 1.00 0.00 ATOM 699 CG1 VAL A 89 9.762 4.230 -3.642 1.00 0.00 ATOM 700 CG2 VAL A 89 9.544 5.914 -5.432 1.00 0.00 ATOM 701 O VAL A 89 8.915 4.653 -8.038 1.00 0.00 ATOM 702 C VAL A 89 8.519 3.817 -7.229 1.00 0.00 ATOM 703 N TYR A 90 7.276 3.340 -7.239 1.00 0.00 ATOM 704 CA TYR A 90 6.356 3.633 -8.335 1.00 0.00 ATOM 705 CB TYR A 90 5.772 2.330 -8.886 1.00 0.00 ATOM 706 CG TYR A 90 6.798 1.424 -9.529 1.00 0.00 ATOM 707 CD1 TYR A 90 7.454 0.453 -8.784 1.00 0.00 ATOM 708 CD2 TYR A 90 7.105 1.541 -10.878 1.00 0.00 ATOM 709 CE1 TYR A 90 8.391 -0.383 -9.363 1.00 0.00 ATOM 710 CE2 TYR A 90 8.039 0.716 -11.474 1.00 0.00 ATOM 711 CZ TYR A 90 8.684 -0.250 -10.703 1.00 0.00 ATOM 712 OH TYR A 90 9.618 -1.079 -11.282 1.00 0.00 ATOM 713 O TYR A 90 4.606 4.235 -6.812 1.00 0.00 ATOM 714 C TYR A 90 5.219 4.522 -7.838 1.00 0.00 ATOM 715 N LEU A 91 4.917 5.579 -8.591 1.00 0.00 ATOM 716 CA LEU A 91 3.847 6.503 -8.222 1.00 0.00 ATOM 717 CB LEU A 91 4.430 7.840 -7.756 1.00 0.00 ATOM 718 CG LEU A 91 5.335 7.791 -6.523 1.00 0.00 ATOM 719 CD1 LEU A 91 5.980 9.147 -6.278 1.00 0.00 ATOM 720 CD2 LEU A 91 4.538 7.411 -5.286 1.00 0.00 ATOM 721 O LEU A 91 3.353 6.754 -10.553 1.00 0.00 ATOM 722 C LEU A 91 2.924 6.788 -9.400 1.00 0.00 ATOM 723 N ARG A 92 1.683 7.175 -9.105 1.00 0.00 ATOM 724 CA ARG A 92 0.718 7.484 -10.153 1.00 0.00 ATOM 725 CB ARG A 92 -0.708 7.356 -9.617 1.00 0.00 ATOM 726 CG ARG A 92 -1.788 7.566 -10.667 1.00 0.00 ATOM 727 CD ARG A 92 -3.177 7.442 -10.064 1.00 0.00 ATOM 728 NE ARG A 92 -3.449 6.085 -9.592 1.00 0.00 ATOM 729 CZ ARG A 92 -3.847 5.088 -10.374 1.00 0.00 ATOM 730 NH1 ARG A 92 -4.074 3.888 -9.855 1.00 0.00 ATOM 731 NH2 ARG A 92 -4.024 5.293 -11.672 1.00 0.00 ATOM 732 O ARG A 92 0.940 9.847 -9.827 1.00 0.00 ATOM 733 C ARG A 92 0.962 8.913 -10.627 1.00 0.00 ATOM 734 N ARG A 93 1.134 9.085 -11.934 1.00 0.00 ATOM 735 CA ARG A 93 1.388 10.399 -12.512 1.00 0.00 ATOM 736 CB ARG A 93 1.709 10.275 -14.004 1.00 0.00 ATOM 737 CG ARG A 93 2.175 11.571 -14.647 1.00 0.00 ATOM 738 CD ARG A 93 3.440 12.092 -13.983 1.00 0.00 ATOM 739 NE ARG A 93 4.538 11.132 -14.062 1.00 0.00 ATOM 740 CZ ARG A 93 5.325 10.984 -15.123 1.00 0.00 ATOM 741 NH1 ARG A 93 6.299 10.083 -15.106 1.00 0.00 ATOM 742 NH2 ARG A 93 5.139 11.736 -16.198 1.00 0.00 ATOM 743 O ARG A 93 0.383 12.566 -12.525 1.00 0.00 ATOM 744 C ARG A 93 0.208 11.357 -12.408 1.00 0.00 ATOM 745 N GLN A 94 -1.004 10.814 -12.328 1.00 0.00 ATOM 746 CA GLN A 94 -2.193 11.646 -12.205 1.00 0.00 ATOM 747 CB GLN A 94 -3.485 10.872 -12.306 1.00 0.00 ATOM 748 CG GLN A 94 -4.696 11.653 -11.886 1.00 0.00 ATOM 749 CD GLN A 94 -5.956 10.846 -12.209 1.00 0.00 ATOM 750 OE1 GLN A 94 -5.843 9.657 -12.562 1.00 0.00 ATOM 751 NE2 GLN A 94 -7.129 11.486 -12.176 1.00 0.00 ATOM 752 O GLN A 94 -2.262 13.757 -11.075 1.00 0.00 ATOM 753 C GLN A 94 -2.090 12.545 -10.975 1.00 0.00 ATOM 754 N ASP A 95 -1.689 11.845 -9.794 1.00 0.00 ATOM 755 CA ASP A 95 -1.507 12.553 -8.528 1.00 0.00 ATOM 756 CB ASP A 95 -1.435 11.560 -7.366 1.00 0.00 ATOM 757 CG ASP A 95 -2.782 10.942 -7.043 1.00 0.00 ATOM 758 OD1 ASP A 95 -3.805 11.455 -7.545 1.00 0.00 ATOM 759 OD2 ASP A 95 -2.814 9.946 -6.291 1.00 0.00 ATOM 760 O ASP A 95 -0.213 14.519 -8.068 1.00 0.00 ATOM 761 C ASP A 95 -0.214 13.373 -8.516 1.00 0.00 ATOM 762 N LEU A 96 0.869 12.817 -9.050 1.00 0.00 ATOM 763 CA LEU A 96 2.124 13.559 -9.099 1.00 0.00 ATOM 764 CB LEU A 96 3.222 12.714 -9.748 1.00 0.00 ATOM 765 CG LEU A 96 3.721 11.515 -8.939 1.00 0.00 ATOM 766 CD1 LEU A 96 4.671 10.664 -9.769 1.00 0.00 ATOM 767 CD2 LEU A 96 4.461 11.978 -7.693 1.00 0.00 ATOM 768 O LEU A 96 2.448 15.905 -9.517 1.00 0.00 ATOM 769 C LEU A 96 1.926 14.853 -9.897 1.00 0.00 ATOM 770 N PRO A 97 1.177 14.784 -10.996 1.00 0.00 ATOM 771 CA PRO A 97 0.926 15.979 -11.786 1.00 0.00 ATOM 772 CB PRO A 97 0.096 15.502 -12.950 1.00 0.00 ATOM 773 CG PRO A 97 0.605 14.113 -13.157 1.00 0.00 ATOM 774 CD PRO A 97 0.668 13.585 -11.735 1.00 0.00 ATOM 775 O PRO A 97 0.440 18.205 -11.132 1.00 0.00 ATOM 776 C PRO A 97 0.178 16.996 -10.956 1.00 0.00 ATOM 777 N GLU A 98 -0.718 16.572 -10.064 1.00 0.00 ATOM 778 CA GLU A 98 -1.411 17.508 -9.174 1.00 0.00 ATOM 779 CB GLU A 98 -2.463 16.754 -8.358 1.00 0.00 ATOM 780 CG GLU A 98 -3.571 16.133 -9.195 1.00 0.00 ATOM 781 CD GLU A 98 -4.560 15.345 -8.360 1.00 0.00 ATOM 782 OE1 GLU A 98 -4.344 15.230 -7.136 1.00 0.00 ATOM 783 OE2 GLU A 98 -5.548 14.840 -8.930 1.00 0.00 ATOM 784 O GLU A 98 -0.562 19.421 -8.000 1.00 0.00 ATOM 785 C GLU A 98 -0.443 18.213 -8.234 1.00 0.00 ATOM 786 N ILE A 99 0.521 17.449 -7.735 1.00 0.00 ATOM 787 CA ILE A 99 1.530 17.993 -6.816 1.00 0.00 ATOM 788 CB ILE A 99 2.399 16.799 -6.244 1.00 0.00 ATOM 789 CG1 ILE A 99 1.514 15.832 -5.459 1.00 0.00 ATOM 790 CG2 ILE A 99 3.504 17.298 -5.299 1.00 0.00 ATOM 791 CD1 ILE A 99 2.238 14.548 -5.037 1.00 0.00 ATOM 792 O ILE A 99 2.693 20.102 -6.851 1.00 0.00 ATOM 793 C ILE A 99 2.398 19.073 -7.471 1.00 0.00 ATOM 794 N THR A 100 2.862 18.698 -8.777 1.00 0.00 ATOM 795 CA THR A 100 3.726 19.645 -9.477 1.00 0.00 ATOM 796 CB THR A 100 4.183 19.077 -10.833 1.00 0.00 ATOM 797 CG2 THR A 100 5.015 17.822 -10.631 1.00 0.00 ATOM 798 OG1 THR A 100 3.036 18.751 -11.628 1.00 0.00 ATOM 799 O THR A 100 3.632 21.843 -10.451 1.00 0.00 ATOM 800 C THR A 100 3.046 20.985 -9.785 1.00 0.00 ATOM 801 N ALA A 101 1.808 21.152 -9.332 1.00 0.00 ATOM 802 CA ALA A 101 1.081 22.424 -9.594 1.00 0.00 ATOM 803 CB ALA A 101 -0.372 22.384 -9.150 1.00 0.00 ATOM 804 O ALA A 101 2.037 24.611 -9.573 1.00 0.00 ATOM 805 C ALA A 101 1.822 23.584 -8.971 1.00 0.00 ATOM 806 N GLN A 102 2.343 23.355 -7.776 1.00 0.00 ATOM 807 CA GLN A 102 3.083 24.411 -7.141 1.00 0.00 ATOM 808 CB GLN A 102 3.322 24.093 -5.671 1.00 0.00 ATOM 809 CG GLN A 102 4.129 25.215 -5.023 1.00 0.00 ATOM 810 CD GLN A 102 3.339 26.523 -4.942 1.00 0.00 ATOM 811 OE1 GLN A 102 2.447 26.638 -4.108 1.00 0.00 ATOM 812 NE2 GLN A 102 3.657 27.505 -5.786 1.00 0.00 ATOM 813 O GLN A 102 4.842 25.852 -7.988 1.00 0.00 ATOM 814 C GLN A 102 4.423 24.700 -7.819 1.00 0.00 ATOM 815 N ARG A 103 5.115 23.633 -8.244 1.00 0.00 ATOM 816 CA ARG A 103 6.369 23.883 -8.902 1.00 0.00 ATOM 817 CB ARG A 103 7.156 22.597 -9.219 1.00 0.00 ATOM 818 CG ARG A 103 8.145 22.167 -8.156 1.00 0.00 ATOM 819 CD ARG A 103 7.492 21.455 -7.014 1.00 0.00 ATOM 820 NE ARG A 103 6.969 20.168 -7.451 1.00 0.00 ATOM 821 CZ ARG A 103 6.351 19.313 -6.646 1.00 0.00 ATOM 822 NH1 ARG A 103 6.169 19.604 -5.362 1.00 0.00 ATOM 823 NH2 ARG A 103 5.944 18.147 -7.114 1.00 0.00 ATOM 824 O ARG A 103 6.896 25.538 -10.522 1.00 0.00 ATOM 825 C ARG A 103 6.119 24.640 -10.205 1.00 0.00 ATOM 826 N GLN A 104 5.080 24.249 -10.968 1.00 0.00 ATOM 827 CA GLN A 104 4.785 24.918 -12.233 1.00 0.00 ATOM 828 CB GLN A 104 3.611 24.212 -12.929 1.00 0.00 ATOM 829 CG GLN A 104 3.188 24.841 -14.249 1.00 0.00 ATOM 830 CD GLN A 104 4.299 24.824 -15.271 1.00 0.00 ATOM 831 OE1 GLN A 104 5.159 25.720 -15.310 1.00 0.00 ATOM 832 NE2 GLN A 104 4.307 23.800 -16.095 1.00 0.00 ATOM 833 O GLN A 104 4.881 27.264 -12.754 1.00 0.00 ATOM 834 C GLN A 104 4.444 26.382 -12.007 1.00 0.00 ATOM 835 N LEU A 105 3.653 26.683 -10.946 1.00 0.00 ATOM 836 CA LEU A 105 3.265 28.044 -10.675 1.00 0.00 ATOM 837 CB LEU A 105 2.191 28.098 -9.581 1.00 0.00 ATOM 838 CG LEU A 105 0.896 27.403 -9.934 1.00 0.00 ATOM 839 CD1 LEU A 105 -0.091 27.523 -8.795 1.00 0.00 ATOM 840 CD2 LEU A 105 0.367 28.032 -11.209 1.00 0.00 ATOM 841 O LEU A 105 4.564 30.035 -10.556 1.00 0.00 ATOM 842 C LEU A 105 4.480 28.840 -10.278 1.00 0.00 ATOM 843 N ARG A 106 5.409 28.180 -9.599 1.00 0.00 ATOM 844 CA ARG A 106 6.657 28.842 -9.166 1.00 0.00 ATOM 845 CB ARG A 106 6.595 29.174 -7.679 1.00 0.00 ATOM 846 CG ARG A 106 5.409 30.053 -7.315 1.00 0.00 ATOM 847 CD ARG A 106 5.612 31.476 -7.807 1.00 0.00 ATOM 848 NE ARG A 106 4.490 32.348 -7.458 1.00 0.00 ATOM 849 CZ ARG A 106 3.519 32.710 -8.291 1.00 0.00 ATOM 850 NH1 ARG A 106 3.477 32.277 -9.535 1.00 0.00 ATOM 851 NH2 ARG A 106 2.577 33.551 -7.881 1.00 0.00 ATOM 852 O ARG A 106 7.827 26.780 -9.245 1.00 0.00 ATOM 853 C ARG A 106 7.861 27.979 -9.493 1.00 0.00 ENDMDL EXPDTA 2hg6A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hg6A ATOM 1 N MET 1 2.607 0.899 0.493 1.00 0.00 ATOM 2 CA MET 1 2.397 0.595 -0.943 1.00 0.00 ATOM 3 CB MET 1 2.105 -0.900 -1.151 1.00 0.00 ATOM 4 CG MET 1 0.770 -1.371 -0.590 1.00 0.00 ATOM 5 SD MET 1 0.701 -1.338 1.211 1.00 0.00 ATOM 6 CE MET 1 -0.950 -1.977 1.484 1.00 0.00 ATOM 7 O MET 1 0.724 1.133 -2.582 1.00 0.00 ATOM 8 C MET 1 1.261 1.439 -1.519 1.00 0.00 ATOM 9 N SER 2 0.903 2.509 -0.822 1.00 0.00 ATOM 10 CA SER 2 -0.127 3.419 -1.299 1.00 0.00 ATOM 11 CB SER 2 -0.964 3.928 -0.125 1.00 0.00 ATOM 12 OG SER 2 -1.502 2.845 0.618 1.00 0.00 ATOM 13 O SER 2 1.728 4.792 -1.949 1.00 0.00 ATOM 14 C SER 2 0.515 4.587 -2.041 1.00 0.00 ATOM 15 N ILE 3 -0.290 5.352 -2.766 1.00 0.00 ATOM 16 CA ILE 3 0.225 6.466 -3.551 1.00 0.00 ATOM 17 CB ILE 3 -0.831 6.999 -4.546 1.00 0.00 ATOM 18 CG1 ILE 3 -1.401 5.854 -5.394 1.00 0.00 ATOM 19 CG2 ILE 3 -0.227 8.071 -5.442 1.00 0.00 ATOM 20 CD1 ILE 3 -0.365 5.129 -6.226 1.00 0.00 ATOM 21 O ILE 3 -0.001 7.930 -1.659 1.00 0.00 ATOM 22 C ILE 3 0.680 7.594 -2.631 1.00 0.00 ATOM 23 N THR 4 1.831 8.167 -2.938 1.00 0.00 ATOM 24 CA THR 4 2.428 9.189 -2.099 1.00 0.00 ATOM 25 CB THR 4 3.958 9.060 -2.121 1.00 0.00 ATOM 26 CG2 THR 4 4.398 7.765 -1.454 1.00 0.00 ATOM 27 OG1 THR 4 4.424 9.085 -3.477 1.00 0.00 ATOM 28 O THR 4 1.285 10.762 -3.516 1.00 0.00 ATOM 29 C THR 4 2.028 10.593 -2.547 1.00 0.00 ATOM 30 N SER 5 2.531 11.590 -1.833 1.00 0.00 ATOM 31 CA SER 5 2.267 12.988 -2.141 1.00 0.00 ATOM 32 CB SER 5 2.458 13.825 -0.878 1.00 0.00 ATOM 33 OG SER 5 1.687 13.306 0.194 1.00 0.00 ATOM 34 O SER 5 3.887 12.686 -3.893 1.00 0.00 ATOM 35 C SER 5 3.187 13.483 -3.262 1.00 0.00 ATOM 36 N THR 6 3.175 14.799 -3.500 1.00 0.00 ATOM 37 CA THR 6 3.977 15.436 -4.553 1.00 0.00 ATOM 38 CB THR 6 3.857 16.974 -4.469 1.00 0.00 ATOM 39 CG2 THR 6 4.542 17.654 -5.649 1.00 0.00 ATOM 40 OG1 THR 6 2.474 17.347 -4.442 1.00 0.00 ATOM 41 O THR 6 6.173 15.088 -5.484 1.00 0.00 ATOM 42 C THR 6 5.457 15.038 -4.479 1.00 0.00 ATOM 43 N ASP 7 5.903 14.628 -3.291 1.00 0.00 ATOM 44 CA ASP 7 7.271 14.138 -3.086 1.00 0.00 ATOM 45 CB ASP 7 7.454 13.624 -1.655 1.00 0.00 ATOM 46 CG ASP 7 7.549 14.744 -0.639 1.00 0.00 ATOM 47 OD1 ASP 7 6.539 15.035 0.035 1.00 0.00 ATOM 48 OD2 ASP 7 8.641 15.335 -0.505 1.00 0.00 ATOM 49 O ASP 7 8.809 12.760 -4.314 1.00 0.00 ATOM 50 C ASP 7 7.632 13.032 -4.081 1.00 0.00 ATOM 51 N ILE 8 6.612 12.399 -4.660 1.00 0.00 ATOM 52 CA ILE 8 6.802 11.386 -5.695 1.00 0.00 ATOM 53 CB ILE 8 5.436 10.899 -6.249 1.00 0.00 ATOM 54 CG1 ILE 8 5.625 9.768 -7.261 1.00 0.00 ATOM 55 CG2 ILE 8 4.660 12.051 -6.878 1.00 0.00 ATOM 56 CD1 ILE 8 4.322 9.153 -7.727 1.00 0.00 ATOM 57 O ILE 8 8.461 11.182 -7.430 1.00 0.00 ATOM 58 C ILE 8 7.676 11.922 -6.840 1.00 0.00 ATOM 59 N CYS 9 7.546 13.217 -7.126 1.00 0.00 ATOM 60 CA CYS 9 8.331 13.863 -8.174 1.00 0.00 ATOM 61 CB CYS 9 7.830 15.295 -8.394 1.00 0.00 ATOM 62 SG CYS 9 8.796 16.257 -9.586 1.00 0.00 ATOM 63 O CYS 9 10.680 13.674 -8.656 1.00 0.00 ATOM 64 C CYS 9 9.813 13.878 -7.808 1.00 0.00 ATOM 65 N GLN 10 10.094 14.097 -6.531 1.00 0.00 ATOM 66 CA GLN 10 11.466 14.195 -6.051 1.00 0.00 ATOM 67 CB GLN 10 11.500 14.841 -4.666 1.00 0.00 ATOM 68 CG GLN 10 10.873 16.227 -4.616 1.00 0.00 ATOM 69 CD GLN 10 11.605 17.247 -5.472 1.00 0.00 ATOM 70 OE1 GLN 10 12.196 16.919 -6.498 1.00 0.00 ATOM 71 NE2 GLN 10 11.568 18.498 -5.054 1.00 0.00 ATOM 72 O GLN 10 13.325 12.689 -6.241 1.00 0.00 ATOM 73 C GLN 10 12.125 12.824 -6.007 1.00 0.00 ATOM 74 N ALA 11 11.324 11.808 -5.713 1.00 0.00 ATOM 75 CA ALA 11 11.813 10.437 -5.616 1.00 0.00 ATOM 76 CB ALA 11 10.702 9.524 -5.127 1.00 0.00 ATOM 77 O ALA 11 13.081 8.934 -6.996 1.00 0.00 ATOM 78 C ALA 11 12.371 9.937 -6.950 1.00 0.00 ATOM 79 N ALA 12 12.052 10.639 -8.034 1.00 0.00 ATOM 80 CA ALA 12 12.561 10.279 -9.354 1.00 0.00 ATOM 81 CB ALA 12 11.763 10.979 -10.442 1.00 0.00 ATOM 82 O ALA 12 14.730 10.142 -10.381 1.00 0.00 ATOM 83 C ALA 12 14.044 10.619 -9.478 1.00 0.00 ATOM 84 N ASP 13 14.534 11.444 -8.562 1.00 0.00 ATOM 85 CA ASP 13 15.942 11.828 -8.548 1.00 0.00 ATOM 86 CB ASP 13 16.111 13.199 -7.881 1.00 0.00 ATOM 87 CG ASP 13 17.559 13.652 -7.821 1.00 0.00 ATOM 88 OD1 ASP 13 18.039 14.264 -8.799 1.00 0.00 ATOM 89 OD2 ASP 13 18.221 13.407 -6.790 1.00 0.00 ATOM 90 O ASP 13 17.986 10.685 -8.009 1.00 0.00 ATOM 91 C ASP 13 16.774 10.779 -7.817 1.00 0.00 ATOM 92 N ALA 14 16.105 9.971 -6.999 1.00 0.00 ATOM 93 CA ALA 14 16.781 8.962 -6.189 1.00 0.00 ATOM 94 CB ALA 14 15.806 8.342 -5.200 1.00 0.00 ATOM 95 O ALA 14 18.420 7.277 -6.679 1.00 0.00 ATOM 96 C ALA 14 17.416 7.882 -7.059 1.00 0.00 ATOM 97 N LEU 15 16.829 7.652 -8.228 1.00 0.00 ATOM 98 CA LEU 15 17.348 6.666 -9.166 1.00 0.00 ATOM 99 CB LEU 15 16.429 6.534 -10.389 1.00 0.00 ATOM 100 CG LEU 15 15.109 5.780 -10.165 1.00 0.00 ATOM 101 CD1 LEU 15 14.187 6.536 -9.219 1.00 0.00 ATOM 102 CD2 LEU 15 14.416 5.536 -11.496 1.00 0.00 ATOM 103 O LEU 15 18.983 8.188 -10.035 1.00 0.00 ATOM 104 C LEU 15 18.752 7.055 -9.614 1.00 0.00 ATOM 105 N LYS 16 19.684 6.122 -9.513 1.00 0.00 ATOM 106 CA LYS 16 21.071 6.386 -9.863 1.00 0.00 ATOM 107 CB LYS 16 21.924 6.511 -8.599 1.00 0.00 ATOM 108 CG LYS 16 21.819 5.307 -7.679 1.00 0.00 ATOM 109 CD LYS 16 22.824 5.379 -6.545 1.00 0.00 ATOM 110 CE LYS 16 22.618 4.253 -5.547 1.00 0.00 ATOM 111 NZ LYS 16 23.709 4.205 -4.540 1.00 0.00 ATOM 112 O LYS 16 21.241 4.125 -10.646 1.00 0.00 ATOM 113 C LYS 16 21.633 5.287 -10.753 1.00 0.00 ATOM 114 N GLY 17 22.544 5.666 -11.634 1.00 0.00 ATOM 115 CA GLY 17 23.183 4.703 -12.505 1.00 0.00 ATOM 116 O GLY 17 22.335 5.937 -14.368 1.00 0.00 ATOM 117 C GLY 17 23.192 5.154 -13.948 1.00 0.00 ATOM 118 N PHE 18 24.149 4.653 -14.714 1.00 0.00 ATOM 119 CA PHE 18 24.268 5.006 -16.118 1.00 0.00 ATOM 120 CB PHE 18 25.695 5.456 -16.448 1.00 0.00 ATOM 121 CG PHE 18 26.217 6.550 -15.563 1.00 0.00 ATOM 122 CD1 PHE 18 27.034 6.253 -14.484 1.00 0.00 ATOM 123 CD2 PHE 18 25.898 7.873 -15.814 1.00 0.00 ATOM 124 CE1 PHE 18 27.520 7.256 -13.670 1.00 0.00 ATOM 125 CE2 PHE 18 26.381 8.880 -15.003 1.00 0.00 ATOM 126 CZ PHE 18 27.194 8.571 -13.930 1.00 0.00 ATOM 127 O PHE 18 24.591 2.777 -16.917 1.00 0.00 ATOM 128 C PHE 18 23.914 3.801 -16.970 1.00 0.00 ATOM 129 N VAL 19 22.860 3.917 -17.752 1.00 0.00 ATOM 130 CA VAL 19 22.409 2.804 -18.565 1.00 0.00 ATOM 131 CB VAL 19 20.864 2.680 -18.543 1.00 0.00 ATOM 132 CG1 VAL 19 20.195 3.939 -19.074 1.00 0.00 ATOM 133 CG2 VAL 19 20.407 1.453 -19.315 1.00 0.00 ATOM 134 O VAL 19 22.894 4.018 -20.584 1.00 0.00 ATOM 135 C VAL 19 22.935 2.938 -19.994 1.00 0.00 ATOM 136 N GLY 20 23.468 1.842 -20.521 1.00 0.00 ATOM 137 CA GLY 20 24.034 1.841 -21.855 1.00 0.00 ATOM 138 O GLY 20 23.699 -0.527 -21.928 1.00 0.00 ATOM 139 C GLY 20 23.813 0.520 -22.566 1.00 0.00 ATOM 140 N PHE 21 23.746 0.567 -23.888 1.00 0.00 ATOM 141 CA PHE 21 23.485 -0.624 -24.683 1.00 0.00 ATOM 142 CB PHE 21 22.708 -0.247 -25.948 1.00 0.00 ATOM 143 CG PHE 21 22.269 -1.422 -26.780 1.00 0.00 ATOM 144 CD1 PHE 21 23.069 -1.902 -27.806 1.00 0.00 ATOM 145 CD2 PHE 21 21.053 -2.038 -26.540 1.00 0.00 ATOM 146 CE1 PHE 21 22.664 -2.976 -28.574 1.00 0.00 ATOM 147 CE2 PHE 21 20.643 -3.114 -27.305 1.00 0.00 ATOM 148 CZ PHE 21 21.450 -3.583 -28.323 1.00 0.00 ATOM 149 O PHE 21 25.599 -0.768 -25.803 1.00 0.00 ATOM 150 C PHE 21 24.793 -1.312 -25.050 1.00 0.00 ATOM 151 N ASN 22 25.002 -2.507 -24.519 1.00 0.00 ATOM 152 CA ASN 22 26.229 -3.241 -24.787 1.00 0.00 ATOM 153 CB ASN 22 26.702 -4.008 -23.538 1.00 0.00 ATOM 154 CG ASN 22 25.964 -5.306 -23.305 1.00 0.00 ATOM 155 ND2 ASN 22 24.826 -5.245 -22.636 1.00 0.00 ATOM 156 OD1 ASN 22 26.420 -6.363 -23.730 1.00 0.00 ATOM 157 O ASN 22 25.003 -4.887 -26.034 1.00 0.00 ATOM 158 C ASN 22 26.018 -4.193 -25.961 1.00 0.00 ATOM 159 N ARG 23 26.972 -4.214 -26.882 1.00 0.00 ATOM 160 CA ARG 23 26.865 -5.048 -28.076 1.00 0.00 ATOM 161 CB ARG 23 27.703 -4.466 -29.218 1.00 0.00 ATOM 162 CG ARG 23 29.190 -4.393 -28.909 1.00 0.00 ATOM 163 CD ARG 23 29.989 -3.883 -30.099 1.00 0.00 ATOM 164 NE ARG 23 29.963 -4.815 -31.225 1.00 0.00 ATOM 165 CZ ARG 23 30.993 -5.594 -31.568 1.00 0.00 ATOM 166 NH1 ARG 23 32.127 -5.554 -30.872 1.00 0.00 ATOM 167 NH2 ARG 23 30.893 -6.413 -32.606 1.00 0.00 ATOM 168 O ARG 23 27.208 -7.348 -28.659 1.00 0.00 ATOM 169 C ARG 23 27.310 -6.479 -27.795 1.00 0.00 ATOM 170 N LYS 24 27.807 -6.718 -26.589 1.00 0.00 ATOM 171 CA LYS 24 28.293 -8.040 -26.219 1.00 0.00 ATOM 172 CB LYS 24 29.194 -7.954 -24.986 1.00 0.00 ATOM 173 CG LYS 24 29.809 -9.288 -24.593 1.00 0.00 ATOM 174 CD LYS 24 30.802 -9.142 -23.452 1.00 0.00 ATOM 175 CE LYS 24 31.967 -8.239 -23.828 1.00 0.00 ATOM 176 NZ LYS 24 33.024 -8.240 -22.784 1.00 0.00 ATOM 177 O LYS 24 27.116 -10.124 -26.441 1.00 0.00 ATOM 178 C LYS 24 27.127 -8.989 -25.961 1.00 0.00 ATOM 179 N THR 25 26.149 -8.522 -25.199 1.00 0.00 ATOM 180 CA THR 25 24.953 -9.314 -24.935 1.00 0.00 ATOM 181 CB THR 25 24.611 -9.347 -23.433 1.00 0.00 ATOM 182 CG2 THR 25 25.650 -10.139 -22.662 1.00 0.00 ATOM 183 OG1 THR 25 24.543 -8.017 -22.910 1.00 0.00 ATOM 184 O THR 25 22.724 -9.430 -25.820 1.00 0.00 ATOM 185 C THR 25 23.763 -8.777 -25.720 1.00 0.00 ATOM 186 N GLY 26 23.927 -7.582 -26.277 1.00 0.00 ATOM 187 CA GLY 26 22.878 -6.981 -27.074 1.00 0.00 ATOM 188 O GLY 26 20.545 -6.868 -26.590 1.00 0.00 ATOM 189 C GLY 26 21.685 -6.561 -26.243 1.00 0.00 ATOM 190 N ARG 27 21.939 -5.875 -25.136 1.00 0.00 ATOM 191 CA ARG 27 20.858 -5.392 -24.286 1.00 0.00 ATOM 192 CB ARG 27 20.448 -6.465 -23.274 1.00 0.00 ATOM 193 CG ARG 27 21.583 -6.959 -22.396 1.00 0.00 ATOM 194 CD ARG 27 21.186 -8.225 -21.657 1.00 0.00 ATOM 195 NE ARG 27 20.710 -9.252 -22.584 1.00 0.00 ATOM 196 CZ ARG 27 20.692 -10.557 -22.328 1.00 0.00 ATOM 197 NH1 ARG 27 21.132 -11.028 -21.169 1.00 0.00 ATOM 198 NH2 ARG 27 20.229 -11.391 -23.248 1.00 0.00 ATOM 199 O ARG 27 22.425 -3.755 -23.476 1.00 0.00 ATOM 200 C ARG 27 21.243 -4.103 -23.573 1.00 0.00 ATOM 201 N TYR 28 20.229 -3.403 -23.090 1.00 0.00 ATOM 202 CA TYR 28 20.404 -2.134 -22.405 1.00 0.00 ATOM 203 CB TYR 28 19.133 -1.292 -22.589 1.00 0.00 ATOM 204 CG TYR 28 19.355 0.204 -22.608 1.00 0.00 ATOM 205 CD1 TYR 28 18.371 1.076 -22.160 1.00 0.00 ATOM 206 CD2 TYR 28 20.540 0.745 -23.083 1.00 0.00 ATOM 207 CE1 TYR 28 18.565 2.445 -22.184 1.00 0.00 ATOM 208 CE2 TYR 28 20.742 2.111 -23.108 1.00 0.00 ATOM 209 CZ TYR 28 19.753 2.956 -22.660 1.00 0.00 ATOM 210 OH TYR 28 19.959 4.316 -22.678 1.00 0.00 ATOM 211 O TYR 28 19.775 -2.767 -20.179 1.00 0.00 ATOM 212 C TYR 28 20.677 -2.390 -20.925 1.00 0.00 ATOM 213 N ILE 29 21.923 -2.204 -20.509 1.00 0.00 ATOM 214 CA ILE 29 22.335 -2.552 -19.154 1.00 0.00 ATOM 215 CB ILE 29 23.437 -3.642 -19.161 1.00 0.00 ATOM 216 CG1 ILE 29 24.560 -3.310 -20.154 1.00 0.00 ATOM 217 CG2 ILE 29 22.833 -5.000 -19.484 1.00 0.00 ATOM 218 CD1 ILE 29 25.588 -2.334 -19.628 1.00 0.00 ATOM 219 O ILE 29 23.234 -0.338 -18.967 1.00 0.00 ATOM 220 C ILE 29 22.807 -1.328 -18.379 1.00 0.00 ATOM 221 N VAL 30 22.726 -1.396 -17.059 1.00 0.00 ATOM 222 CA VAL 30 23.104 -0.269 -16.217 1.00 0.00 ATOM 223 CB VAL 30 22.047 0.005 -15.129 1.00 0.00 ATOM 224 CG1 VAL 30 22.442 1.221 -14.302 1.00 0.00 ATOM 225 CG2 VAL 30 20.673 0.196 -15.752 1.00 0.00 ATOM 226 O VAL 30 24.676 -1.543 -14.925 1.00 0.00 ATOM 227 C VAL 30 24.450 -0.503 -15.543 1.00 0.00 ATOM 228 N ARG 31 25.337 0.471 -15.671 1.00 0.00 ATOM 229 CA ARG 31 26.634 0.435 -15.013 1.00 0.00 ATOM 230 CB ARG 31 27.763 0.261 -16.036 1.00 0.00 ATOM 231 CG ARG 31 27.717 -1.067 -16.774 1.00 0.00 ATOM 232 CD ARG 31 27.707 -2.240 -15.808 1.00 0.00 ATOM 233 NE ARG 31 27.642 -3.524 -16.502 1.00 0.00 ATOM 234 CZ ARG 31 26.580 -4.327 -16.486 1.00 0.00 ATOM 235 NH1 ARG 31 25.475 -3.962 -15.848 1.00 0.00 ATOM 236 NH2 ARG 31 26.626 -5.494 -17.116 1.00 0.00 ATOM 237 O ARG 31 26.061 2.662 -14.332 1.00 0.00 ATOM 238 C ARG 31 26.839 1.716 -14.211 1.00 0.00 ATOM 239 N PHE 32 27.872 1.746 -13.386 1.00 0.00 ATOM 240 CA PHE 32 28.157 2.919 -12.571 1.00 0.00 ATOM 241 CB PHE 32 28.194 2.547 -11.087 1.00 0.00 ATOM 242 CG PHE 32 26.871 2.059 -10.564 1.00 0.00 ATOM 243 CD1 PHE 32 25.887 2.959 -10.186 1.00 0.00 ATOM 244 CD2 PHE 32 26.609 0.701 -10.455 1.00 0.00 ATOM 245 CE1 PHE 32 24.667 2.515 -9.709 1.00 0.00 ATOM 246 CE2 PHE 32 25.392 0.252 -9.978 1.00 0.00 ATOM 247 CZ PHE 32 24.420 1.161 -9.606 1.00 0.00 ATOM 248 O PHE 32 29.906 4.559 -12.431 1.00 0.00 ATOM 249 C PHE 32 29.471 3.556 -12.997 1.00 0.00 ATOM 250 N SER 33 30.096 2.964 -14.001 1.00 0.00 ATOM 251 CA SER 33 31.333 3.489 -14.549 1.00 0.00 ATOM 252 CB SER 33 32.467 2.484 -14.345 1.00 0.00 ATOM 253 OG SER 33 32.720 2.267 -12.966 1.00 0.00 ATOM 254 O SER 33 31.003 2.893 -16.848 1.00 0.00 ATOM 255 C SER 33 31.168 3.799 -16.032 1.00 0.00 ATOM 256 N GLU 34 31.204 5.080 -16.374 1.00 0.00 ATOM 257 CA GLU 34 31.078 5.507 -17.765 1.00 0.00 ATOM 258 CB GLU 34 30.878 7.022 -17.842 1.00 0.00 ATOM 259 CG GLU 34 29.671 7.525 -17.067 1.00 0.00 ATOM 260 CD GLU 34 29.515 9.029 -17.155 1.00 0.00 ATOM 261 OE1 GLU 34 30.302 9.752 -16.508 1.00 0.00 ATOM 262 OE2 GLU 34 28.608 9.500 -17.871 1.00 0.00 ATOM 263 O GLU 34 32.282 4.959 -19.774 1.00 0.00 ATOM 264 C GLU 34 32.322 5.113 -18.555 1.00 0.00 ATOM 265 N ASP 35 33.417 4.929 -17.833 1.00 0.00 ATOM 266 CA ASP 35 34.716 4.632 -18.430 1.00 0.00 ATOM 267 CB ASP 35 35.828 5.016 -17.452 1.00 0.00 ATOM 268 CG ASP 35 35.760 4.218 -16.160 1.00 0.00 ATOM 269 OD1 ASP 35 36.572 3.287 -15.983 1.00 0.00 ATOM 270 OD2 ASP 35 34.886 4.514 -15.316 1.00 0.00 ATOM 271 O ASP 35 35.874 2.734 -19.334 1.00 0.00 ATOM 272 C ASP 35 34.850 3.156 -18.794 1.00 0.00 ATOM 273 N SER 36 33.814 2.375 -18.521 1.00 0.00 ATOM 274 CA SER 36 33.883 0.934 -18.716 1.00 0.00 ATOM 275 CB SER 36 32.815 0.237 -17.874 1.00 0.00 ATOM 276 OG SER 36 31.519 0.700 -18.209 1.00 0.00 ATOM 277 O SER 36 34.160 -0.503 -20.624 1.00 0.00 ATOM 278 C SER 36 33.714 0.562 -20.186 1.00 0.00 ATOM 279 N PHE 37 33.082 1.445 -20.948 1.00 0.00 ATOM 280 CA PHE 37 32.775 1.163 -22.342 1.00 0.00 ATOM 281 CB PHE 37 31.306 1.474 -22.634 1.00 0.00 ATOM 282 CG PHE 37 30.349 0.704 -21.770 1.00 0.00 ATOM 283 CD1 PHE 37 30.285 -0.678 -21.847 1.00 0.00 ATOM 284 CD2 PHE 37 29.512 1.362 -20.884 1.00 0.00 ATOM 285 CE1 PHE 37 29.406 -1.389 -21.055 1.00 0.00 ATOM 286 CE2 PHE 37 28.631 0.655 -20.089 1.00 0.00 ATOM 287 CZ PHE 37 28.578 -0.722 -20.175 1.00 0.00 ATOM 288 O PHE 37 33.824 3.175 -23.121 1.00 0.00 ATOM 289 C PHE 37 33.671 1.963 -23.276 1.00 0.00 ATOM 290 N GLY 38 34.265 1.272 -24.239 1.00 0.00 ATOM 291 CA GLY 38 35.096 1.930 -25.224 1.00 0.00 ATOM 292 O GLY 38 33.428 2.994 -26.562 1.00 0.00 ATOM 293 C GLY 38 34.351 2.183 -26.518 1.00 0.00 ATOM 294 N MET 39 34.719 1.456 -27.562 1.00 0.00 ATOM 295 CA MET 39 34.133 1.662 -28.882 1.00 0.00 ATOM 296 CB MET 39 35.195 1.480 -29.972 1.00 0.00 ATOM 297 CG MET 39 35.707 0.053 -30.095 1.00 0.00 ATOM 298 SD MET 39 36.947 -0.135 -31.389 1.00 0.00 ATOM 299 CE MET 39 37.234 -1.901 -31.318 1.00 0.00 ATOM 300 O MET 39 32.312 0.744 -30.151 1.00 0.00 ATOM 301 C MET 39 32.980 0.693 -29.119 1.00 0.00 ATOM 302 N ASP 40 32.753 -0.195 -28.160 1.00 0.00 ATOM 303 CA ASP 40 31.705 -1.204 -28.282 1.00 0.00 ATOM 304 CB ASP 40 31.989 -2.397 -27.367 1.00 0.00 ATOM 305 CG ASP 40 33.113 -3.274 -27.877 1.00 0.00 ATOM 306 OD1 ASP 40 32.856 -4.128 -28.748 1.00 0.00 ATOM 307 OD2 ASP 40 34.253 -3.128 -27.392 1.00 0.00 ATOM 308 O ASP 40 29.307 -1.251 -28.229 1.00 0.00 ATOM 309 C ASP 40 30.333 -0.629 -27.955 1.00 0.00 ATOM 310 N VAL 41 30.314 0.553 -27.362 1.00 0.00 ATOM 311 CA VAL 41 29.064 1.193 -26.978 1.00 0.00 ATOM 312 CB VAL 41 28.813 1.084 -25.453 1.00 0.00 ATOM 313 CG1 VAL 41 27.524 1.792 -25.056 1.00 0.00 ATOM 314 CG2 VAL 41 28.775 -0.372 -25.013 1.00 0.00 ATOM 315 O VAL 41 30.052 3.367 -27.128 1.00 0.00 ATOM 316 C VAL 41 29.078 2.659 -27.382 1.00 0.00 ATOM 317 N ALA 42 28.007 3.104 -28.027 1.00 0.00 ATOM 318 CA ALA 42 27.865 4.506 -28.384 1.00 0.00 ATOM 319 CB ALA 42 26.723 4.693 -29.373 1.00 0.00 ATOM 320 O ALA 42 26.716 5.036 -26.349 1.00 0.00 ATOM 321 C ALA 42 27.626 5.331 -27.128 1.00 0.00 ATOM 322 N ASP 43 28.436 6.362 -26.932 1.00 0.00 ATOM 323 CA ASP 43 28.371 7.164 -25.712 1.00 0.00 ATOM 324 CB ASP 43 29.547 8.139 -25.656 1.00 0.00 ATOM 325 CG ASP 43 29.707 8.776 -24.290 1.00 0.00 ATOM 326 OD1 ASP 43 29.653 8.043 -23.278 1.00 0.00 ATOM 327 OD2 ASP 43 29.918 10.004 -24.224 1.00 0.00 ATOM 328 O ASP 43 26.590 8.267 -24.534 1.00 0.00 ATOM 329 C ASP 43 27.049 7.920 -25.622 1.00 0.00 ATOM 330 N ASP 44 26.426 8.143 -26.773 1.00 0.00 ATOM 331 CA ASP 44 25.120 8.798 -26.832 1.00 0.00 ATOM 332 CB ASP 44 24.747 9.149 -28.277 1.00 0.00 ATOM 333 CG ASP 44 25.590 10.265 -28.857 1.00 0.00 ATOM 334 OD1 ASP 44 25.214 11.444 -28.697 1.00 0.00 ATOM 335 OD2 ASP 44 26.618 9.967 -29.501 1.00 0.00 ATOM 336 O ASP 44 22.987 8.384 -25.813 1.00 0.00 ATOM 337 C ASP 44 24.036 7.904 -26.240 1.00 0.00 ATOM 338 N SER 45 24.295 6.603 -26.213 1.00 0.00 ATOM 339 CA SER 45 23.331 5.645 -25.693 1.00 0.00 ATOM 340 CB SER 45 23.450 4.317 -26.441 1.00 0.00 ATOM 341 OG SER 45 23.187 4.487 -27.827 1.00 0.00 ATOM 342 O SER 45 22.765 4.697 -23.564 1.00 0.00 ATOM 343 C SER 45 23.528 5.426 -24.196 1.00 0.00 ATOM 344 N ILE 46 24.558 6.051 -23.637 1.00 0.00 ATOM 345 CA ILE 46 24.800 5.987 -22.204 1.00 0.00 ATOM 346 CB ILE 46 26.308 5.946 -21.871 1.00 0.00 ATOM 347 CG1 ILE 46 26.967 4.738 -22.543 1.00 0.00 ATOM 348 CG2 ILE 46 26.520 5.901 -20.360 1.00 0.00 ATOM 349 CD1 ILE 46 28.459 4.639 -22.293 1.00 0.00 ATOM 350 O ILE 46 24.531 8.337 -21.807 1.00 0.00 ATOM 351 C ILE 46 24.164 7.195 -21.530 1.00 0.00 ATOM 352 N THR 47 23.191 6.943 -20.675 1.00 0.00 ATOM 353 CA THR 47 22.450 8.012 -20.033 1.00 0.00 ATOM 354 CB THR 47 21.133 8.281 -20.793 1.00 0.00 ATOM 355 CG2 THR 47 20.405 9.498 -20.238 1.00 0.00 ATOM 356 OG1 THR 47 21.415 8.486 -22.182 1.00 0.00 ATOM 357 O THR 47 21.750 6.533 -18.277 1.00 0.00 ATOM 358 C THR 47 22.140 7.662 -18.581 1.00 0.00 ATOM 359 N PRO 48 22.348 8.612 -17.661 1.00 0.00 ATOM 360 CA PRO 48 21.943 8.454 -16.266 1.00 0.00 ATOM 361 CB PRO 48 22.323 9.789 -15.615 1.00 0.00 ATOM 362 CG PRO 48 23.334 10.398 -16.525 1.00 0.00 ATOM 363 CD PRO 48 23.007 9.905 -17.906 1.00 0.00 ATOM 364 O PRO 48 19.640 9.025 -16.640 1.00 0.00 ATOM 365 C PRO 48 20.440 8.220 -16.154 1.00 0.00 ATOM 366 N THR 49 20.059 7.117 -15.519 1.00 0.00 ATOM 367 CA THR 49 18.651 6.755 -15.380 1.00 0.00 ATOM 368 CB THR 49 18.485 5.387 -14.680 1.00 0.00 ATOM 369 CG2 THR 49 19.015 5.428 -13.254 1.00 0.00 ATOM 370 OG1 THR 49 17.105 5.004 -14.666 1.00 0.00 ATOM 371 O THR 49 16.642 7.881 -14.693 1.00 0.00 ATOM 372 C THR 49 17.869 7.826 -14.614 1.00 0.00 ATOM 373 N SER 50 18.591 8.678 -13.893 1.00 0.00 ATOM 374 CA SER 50 17.993 9.779 -13.152 1.00 0.00 ATOM 375 CB SER 50 19.096 10.554 -12.430 1.00 0.00 ATOM 376 OG SER 50 20.036 9.664 -11.848 1.00 0.00 ATOM 377 O SER 50 16.142 11.189 -13.760 1.00 0.00 ATOM 378 C SER 50 17.230 10.718 -14.087 1.00 0.00 ATOM 379 N GLU 51 17.805 10.973 -15.257 1.00 0.00 ATOM 380 CA GLU 51 17.212 11.898 -16.213 1.00 0.00 ATOM 381 CB GLU 51 18.272 12.884 -16.704 1.00 0.00 ATOM 382 CG GLU 51 17.701 14.126 -17.363 1.00 0.00 ATOM 383 CD GLU 51 18.780 15.035 -17.904 1.00 0.00 ATOM 384 OE1 GLU 51 19.383 15.786 -17.111 1.00 0.00 ATOM 385 OE2 GLU 51 19.038 14.992 -19.127 1.00 0.00 ATOM 386 O GLU 51 15.939 11.708 -18.248 1.00 0.00 ATOM 387 C GLU 51 16.618 11.135 -17.396 1.00 0.00 ATOM 388 N PHE 52 16.877 9.834 -17.436 1.00 0.00 ATOM 389 CA PHE 52 16.405 8.984 -18.524 1.00 0.00 ATOM 390 CB PHE 52 17.023 7.588 -18.395 1.00 0.00 ATOM 391 CG PHE 52 16.675 6.652 -19.517 1.00 0.00 ATOM 392 CD1 PHE 52 15.698 5.681 -19.353 1.00 0.00 ATOM 393 CD2 PHE 52 17.327 6.742 -20.736 1.00 0.00 ATOM 394 CE1 PHE 52 15.381 4.819 -20.383 1.00 0.00 ATOM 395 CE2 PHE 52 17.012 5.883 -21.770 1.00 0.00 ATOM 396 CZ PHE 52 16.038 4.920 -21.593 1.00 0.00 ATOM 397 O PHE 52 14.248 8.772 -19.568 1.00 0.00 ATOM 398 C PHE 52 14.880 8.892 -18.519 1.00 0.00 ATOM 399 N VAL 53 14.298 8.972 -17.329 1.00 0.00 ATOM 400 CA VAL 53 12.854 8.855 -17.170 1.00 0.00 ATOM 401 CB VAL 53 12.475 8.497 -15.715 1.00 0.00 ATOM 402 CG1 VAL 53 13.001 7.118 -15.348 1.00 0.00 ATOM 403 CG2 VAL 53 13.007 9.542 -14.744 1.00 0.00 ATOM 404 O VAL 53 10.909 10.156 -17.723 1.00 0.00 ATOM 405 C VAL 53 12.133 10.139 -17.581 1.00 0.00 ATOM 406 N TRP 54 12.894 11.205 -17.782 1.00 0.00 ATOM 407 CA TRP 54 12.320 12.485 -18.164 1.00 0.00 ATOM 408 CB TRP 54 13.059 13.634 -17.476 1.00 0.00 ATOM 409 CG TRP 54 12.880 13.659 -15.989 1.00 0.00 ATOM 410 CD1 TRP 54 13.739 13.168 -15.049 1.00 0.00 ATOM 411 CD2 TRP 54 11.768 14.205 -15.271 1.00 0.00 ATOM 412 CE2 TRP 54 12.021 14.012 -13.900 1.00 0.00 ATOM 413 CE3 TRP 54 10.583 14.838 -15.655 1.00 0.00 ATOM 414 NE1 TRP 54 13.231 13.379 -13.791 1.00 0.00 ATOM 415 CZ2 TRP 54 11.133 14.432 -12.915 1.00 0.00 ATOM 416 CZ3 TRP 54 9.703 15.253 -14.675 1.00 0.00 ATOM 417 CH2 TRP 54 9.982 15.049 -13.319 1.00 0.00 ATOM 418 O TRP 54 13.438 12.587 -20.283 1.00 0.00 ATOM 419 C TRP 54 12.371 12.667 -19.674 1.00 0.00 ATOM 420 N SER 55 11.216 12.892 -20.275 1.00 0.00 ATOM 421 CA SER 55 11.132 13.122 -21.702 1.00 0.00 ATOM 422 CB SER 55 10.117 12.162 -22.323 1.00 0.00 ATOM 423 OG SER 55 10.457 10.815 -22.033 1.00 0.00 ATOM 424 O SER 55 9.601 14.977 -21.730 1.00 0.00 ATOM 425 C SER 55 10.740 14.570 -21.978 1.00 0.00 ATOM 426 N SER 56 11.693 15.354 -22.457 1.00 0.00 ATOM 427 CA SER 56 11.452 16.753 -22.761 1.00 0.00 ATOM 428 CB SER 56 12.785 17.491 -22.899 1.00 0.00 ATOM 429 OG SER 56 13.804 16.620 -23.371 1.00 0.00 ATOM 430 O SER 56 11.010 16.474 -25.111 1.00 0.00 ATOM 431 C SER 56 10.611 16.899 -24.026 1.00 0.00 ATOM 432 N VAL 57 9.430 17.480 -23.872 1.00 0.00 ATOM 433 CA VAL 57 8.540 17.706 -25.001 1.00 0.00 ATOM 434 CB VAL 57 7.079 17.357 -24.648 1.00 0.00 ATOM 435 CG1 VAL 57 6.947 15.864 -24.388 1.00 0.00 ATOM 436 CG2 VAL 57 6.605 18.148 -23.436 1.00 0.00 ATOM 437 O VAL 57 8.329 19.480 -26.618 1.00 0.00 ATOM 438 C VAL 57 8.647 19.152 -25.474 1.00 0.00 ATOM 439 N ARG 58 9.092 20.014 -24.570 1.00 0.00 ATOM 440 CA ARG 58 9.463 21.382 -24.909 1.00 0.00 ATOM 441 CB ARG 58 8.566 22.422 -24.216 1.00 0.00 ATOM 442 CG ARG 58 7.187 22.617 -24.840 1.00 0.00 ATOM 443 CD ARG 58 6.322 21.378 -24.714 1.00 0.00 ATOM 444 NE ARG 58 4.938 21.618 -25.112 1.00 0.00 ATOM 445 CZ ARG 58 4.351 21.034 -26.157 1.00 0.00 ATOM 446 NH1 ARG 58 5.058 20.286 -26.997 1.00 0.00 ATOM 447 NH2 ARG 58 3.058 21.220 -26.380 1.00 0.00 ATOM 448 O ARG 58 11.591 20.621 -24.153 1.00 0.00 ATOM 449 C ARG 58 10.909 21.588 -24.486 1.00 0.00 ATOM 450 N ASP 59 11.372 22.830 -24.484 1.00 0.00 ATOM 451 CA ASP 59 12.743 23.123 -24.069 1.00 0.00 ATOM 452 CB ASP 59 13.080 24.600 -24.287 1.00 0.00 ATOM 453 CG ASP 59 13.352 24.932 -25.737 1.00 0.00 ATOM 454 OD1 ASP 59 12.381 25.115 -26.503 1.00 0.00 ATOM 455 OD2 ASP 59 14.535 25.031 -26.117 1.00 0.00 ATOM 456 O ASP 59 13.757 21.878 -22.291 1.00 0.00 ATOM 457 C ASP 59 12.961 22.759 -22.607 1.00 0.00 ATOM 458 N ASP 60 12.236 23.425 -21.718 1.00 0.00 ATOM 459 CA ASP 60 12.423 23.223 -20.285 1.00 0.00 ATOM 460 CB ASP 60 12.542 24.568 -19.565 1.00 0.00 ATOM 461 CG ASP 60 13.686 25.412 -20.087 1.00 0.00 ATOM 462 OD1 ASP 60 14.843 25.164 -19.693 1.00 0.00 ATOM 463 OD2 ASP 60 13.427 26.334 -20.895 1.00 0.00 ATOM 464 O ASP 60 11.194 22.281 -18.462 1.00 0.00 ATOM 465 C ASP 60 11.276 22.427 -19.679 1.00 0.00 ATOM 466 N VAL 61 10.390 21.914 -20.524 1.00 0.00 ATOM 467 CA VAL 61 9.238 21.159 -20.041 1.00 0.00 ATOM 468 CB VAL 61 7.923 21.604 -20.717 1.00 0.00 ATOM 469 CG1 VAL 61 6.724 20.964 -20.034 1.00 0.00 ATOM 470 CG2 VAL 61 7.797 23.121 -20.719 1.00 0.00 ATOM 471 O VAL 61 9.389 19.205 -21.432 1.00 0.00 ATOM 472 C VAL 61 9.435 19.668 -20.287 1.00 0.00 ATOM 473 N MET 62 9.660 18.925 -19.214 1.00 0.00 ATOM 474 CA MET 62 9.859 17.486 -19.306 1.00 0.00 ATOM 475 CB MET 62 11.130 17.068 -18.565 1.00 0.00 ATOM 476 CG MET 62 12.404 17.650 -19.154 1.00 0.00 ATOM 477 SD MET 62 13.882 17.140 -18.255 1.00 0.00 ATOM 478 CE MET 62 13.542 17.815 -16.631 1.00 0.00 ATOM 479 O MET 62 8.068 17.155 -17.737 1.00 0.00 ATOM 480 C MET 62 8.663 16.734 -18.732 1.00 0.00 ATOM 481 N ARG 63 8.312 15.631 -19.378 1.00 0.00 ATOM 482 CA ARG 63 7.248 14.756 -18.904 1.00 0.00 ATOM 483 CB ARG 63 6.233 14.490 -20.020 1.00 0.00 ATOM 484 CG ARG 63 5.431 15.713 -20.430 1.00 0.00 ATOM 485 CD ARG 63 4.635 15.460 -21.702 1.00 0.00 ATOM 486 NE ARG 63 3.688 14.353 -21.568 1.00 0.00 ATOM 487 CZ ARG 63 3.160 13.691 -22.597 1.00 0.00 ATOM 488 NH1 ARG 63 3.498 14.000 -23.844 1.00 0.00 ATOM 489 NH2 ARG 63 2.291 12.718 -22.376 1.00 0.00 ATOM 490 O ARG 63 8.732 12.889 -19.082 1.00 0.00 ATOM 491 C ARG 63 7.846 13.440 -18.429 1.00 0.00 ATOM 492 N LEU 64 7.382 12.956 -17.290 1.00 0.00 ATOM 493 CA LEU 64 7.859 11.693 -16.750 1.00 0.00 ATOM 494 CB LEU 64 7.517 11.592 -15.257 1.00 0.00 ATOM 495 CG LEU 64 8.425 10.686 -14.406 1.00 0.00 ATOM 496 CD1 LEU 64 8.394 9.240 -14.882 1.00 0.00 ATOM 497 CD2 LEU 64 9.849 11.211 -14.413 1.00 0.00 ATOM 498 O LEU 64 6.016 10.326 -17.450 1.00 0.00 ATOM 499 C LEU 64 7.228 10.534 -17.510 1.00 0.00 ATOM 500 N GLY 65 8.051 9.790 -18.225 1.00 0.00 ATOM 501 CA GLY 65 7.574 8.608 -18.906 1.00 0.00 ATOM 502 O GLY 65 8.875 6.846 -17.973 1.00 0.00 ATOM 503 C GLY 65 7.774 7.380 -18.049 1.00 0.00 ATOM 504 N ARG 66 6.724 6.936 -17.380 1.00 0.00 ATOM 505 CA ARG 66 6.848 5.823 -16.451 1.00 0.00 ATOM 506 CB ARG 66 5.609 5.704 -15.558 1.00 0.00 ATOM 507 CG ARG 66 4.335 5.341 -16.299 1.00 0.00 ATOM 508 CD ARG 66 3.163 5.210 -15.340 1.00 0.00 ATOM 509 NE ARG 66 1.970 4.689 -16.001 1.00 0.00 ATOM 510 CZ ARG 66 0.991 4.037 -15.373 1.00 0.00 ATOM 511 NH1 ARG 66 1.028 3.885 -14.051 1.00 0.00 ATOM 512 NH2 ARG 66 -0.030 3.552 -16.069 1.00 0.00 ATOM 513 O ARG 66 7.546 3.529 -16.551 1.00 0.00 ATOM 514 C ARG 66 7.132 4.505 -17.174 1.00 0.00 ATOM 515 N GLU 67 6.918 4.476 -18.485 1.00 0.00 ATOM 516 CA GLU 67 7.262 3.304 -19.286 1.00 0.00 ATOM 517 CB GLU 67 6.764 3.430 -20.735 1.00 0.00 ATOM 518 CG GLU 67 6.889 4.822 -21.335 1.00 0.00 ATOM 519 CD GLU 67 5.671 5.678 -21.061 1.00 0.00 ATOM 520 OE1 GLU 67 4.763 5.720 -21.919 1.00 0.00 ATOM 521 OE2 GLU 67 5.605 6.296 -19.982 1.00 0.00 ATOM 522 O GLU 67 9.222 1.926 -19.488 1.00 0.00 ATOM 523 C GLU 67 8.770 3.050 -19.261 1.00 0.00 ATOM 524 N GLN 68 9.546 4.094 -18.978 1.00 0.00 ATOM 525 CA GLN 68 10.997 3.971 -18.869 1.00 0.00 ATOM 526 CB GLN 68 11.633 5.329 -18.572 1.00 0.00 ATOM 527 CG GLN 68 11.251 6.429 -19.552 1.00 0.00 ATOM 528 CD GLN 68 11.984 6.359 -20.882 1.00 0.00 ATOM 529 OE1 GLN 68 12.264 7.385 -21.499 1.00 0.00 ATOM 530 NE2 GLN 68 12.274 5.157 -21.354 1.00 0.00 ATOM 531 O GLN 68 12.378 2.298 -17.835 1.00 0.00 ATOM 532 C GLN 68 11.363 2.990 -17.761 1.00 0.00 ATOM 533 N LEU 69 10.514 2.932 -16.739 1.00 0.00 ATOM 534 CA LEU 69 10.729 2.050 -15.597 1.00 0.00 ATOM 535 CB LEU 69 9.669 2.282 -14.512 1.00 0.00 ATOM 536 CG LEU 69 9.872 3.526 -13.635 1.00 0.00 ATOM 537 CD1 LEU 69 9.699 4.809 -14.433 1.00 0.00 ATOM 538 CD2 LEU 69 8.912 3.500 -12.455 1.00 0.00 ATOM 539 O LEU 69 11.364 -0.250 -15.392 1.00 0.00 ATOM 540 C LEU 69 10.729 0.587 -16.027 1.00 0.00 ATOM 541 N GLN 70 10.019 0.280 -17.109 1.00 0.00 ATOM 542 CA GLN 70 9.977 -1.082 -17.626 1.00 0.00 ATOM 543 CB GLN 70 8.935 -1.214 -18.734 1.00 0.00 ATOM 544 CG GLN 70 7.525 -0.857 -18.291 1.00 0.00 ATOM 545 CD GLN 70 6.490 -1.081 -19.378 1.00 0.00 ATOM 546 OE1 GLN 70 5.491 -0.366 -19.454 1.00 0.00 ATOM 547 NE2 GLN 70 6.713 -2.084 -20.213 1.00 0.00 ATOM 548 O GLN 70 11.702 -2.676 -18.118 1.00 0.00 ATOM 549 C GLN 70 11.347 -1.501 -18.149 1.00 0.00 ATOM 550 N ILE 71 12.122 -0.530 -18.617 1.00 0.00 ATOM 551 CA ILE 71 13.481 -0.794 -19.068 1.00 0.00 ATOM 552 CB ILE 71 14.069 0.413 -19.833 1.00 0.00 ATOM 553 CG1 ILE 71 13.186 0.748 -21.041 1.00 0.00 ATOM 554 CG2 ILE 71 15.499 0.127 -20.275 1.00 0.00 ATOM 555 CD1 ILE 71 13.667 1.940 -21.842 1.00 0.00 ATOM 556 O ILE 71 15.277 -1.952 -17.955 1.00 0.00 ATOM 557 C ILE 71 14.360 -1.134 -17.868 1.00 0.00 ATOM 558 N LEU 72 14.046 -0.519 -16.737 1.00 0.00 ATOM 559 CA LEU 72 14.731 -0.810 -15.485 1.00 0.00 ATOM 560 CB LEU 72 14.465 0.302 -14.470 1.00 0.00 ATOM 561 CG LEU 72 14.725 1.723 -14.979 1.00 0.00 ATOM 562 CD1 LEU 72 14.443 2.739 -13.885 1.00 0.00 ATOM 563 CD2 LEU 72 16.152 1.864 -15.488 1.00 0.00 ATOM 564 O LEU 72 14.994 -2.881 -14.285 1.00 0.00 ATOM 565 C LEU 72 14.248 -2.149 -14.939 1.00 0.00 ATOM 566 N LEU 73 12.988 -2.455 -15.226 1.00 0.00 ATOM 567 CA LEU 73 12.382 -3.734 -14.873 1.00 0.00 ATOM 568 CB LEU 73 10.908 -3.725 -15.295 1.00 0.00 ATOM 569 CG LEU 73 10.136 -5.029 -15.089 1.00 0.00 ATOM 570 CD1 LEU 73 9.999 -5.348 -13.608 1.00 0.00 ATOM 571 CD2 LEU 73 8.767 -4.931 -15.751 1.00 0.00 ATOM 572 O LEU 73 13.232 -5.981 -15.004 1.00 0.00 ATOM 573 C LEU 73 13.129 -4.882 -15.550 1.00 0.00 ATOM 574 N GLU 74 13.655 -4.612 -16.741 1.00 0.00 ATOM 575 CA GLU 74 14.480 -5.578 -17.458 1.00 0.00 ATOM 576 CB GLU 74 14.905 -5.011 -18.815 1.00 0.00 ATOM 577 CG GLU 74 13.744 -4.604 -19.709 1.00 0.00 ATOM 578 CD GLU 74 12.895 -5.780 -20.146 1.00 0.00 ATOM 579 OE1 GLU 74 13.363 -6.568 -20.996 1.00 0.00 ATOM 580 OE2 GLU 74 11.754 -5.913 -19.660 1.00 0.00 ATOM 581 O GLU 74 16.183 -7.070 -16.642 1.00 0.00 ATOM 582 C GLU 74 15.721 -5.928 -16.638 1.00 0.00 ATOM 583 N GLN 75 16.249 -4.937 -15.927 1.00 0.00 ATOM 584 CA GLN 75 17.425 -5.134 -15.089 1.00 0.00 ATOM 585 CB GLN 75 18.107 -3.797 -14.789 1.00 0.00 ATOM 586 CG GLN 75 18.625 -3.075 -16.025 1.00 0.00 ATOM 587 CD GLN 75 19.628 -3.899 -16.812 1.00 0.00 ATOM 588 OE1 GLN 75 20.832 -3.850 -16.554 1.00 0.00 ATOM 589 NE2 GLN 75 19.141 -4.649 -17.790 1.00 0.00 ATOM 590 O GLN 75 17.826 -6.614 -13.244 1.00 0.00 ATOM 591 C GLN 75 17.043 -5.839 -13.789 1.00 0.00 ATOM 592 N ASN 76 15.841 -5.539 -13.289 1.00 0.00 ATOM 593 CA ASN 76 15.258 -6.249 -12.140 1.00 0.00 ATOM 594 CB ASN 76 15.225 -7.762 -12.425 1.00 0.00 ATOM 595 CG ASN 76 14.476 -8.578 -11.380 1.00 0.00 ATOM 596 ND2 ASN 76 13.423 -8.019 -10.802 1.00 0.00 ATOM 597 OD1 ASN 76 14.840 -9.721 -11.105 1.00 0.00 ATOM 598 O ASN 76 15.870 -6.636 -9.834 1.00 0.00 ATOM 599 C ASN 76 16.027 -5.950 -10.844 1.00 0.00 ATOM 600 N ILE 77 16.837 -4.902 -10.866 1.00 0.00 ATOM 601 CA ILE 77 17.607 -4.519 -9.692 1.00 0.00 ATOM 602 CB ILE 77 19.131 -4.476 -9.990 1.00 0.00 ATOM 603 CG1 ILE 77 19.427 -4.030 -11.430 1.00 0.00 ATOM 604 CG2 ILE 77 19.745 -5.842 -9.741 1.00 0.00 ATOM 605 CD1 ILE 77 19.498 -2.533 -11.625 1.00 0.00 ATOM 606 O ILE 77 17.595 -2.116 -9.419 1.00 0.00 ATOM 607 C ILE 77 17.105 -3.198 -9.100 1.00 0.00 ATOM 608 N ASN 78 16.109 -3.309 -8.228 1.00 0.00 ATOM 609 CA ASN 78 15.426 -2.147 -7.672 1.00 0.00 ATOM 610 CB ASN 78 14.121 -2.563 -6.985 1.00 0.00 ATOM 611 CG ASN 78 13.075 -3.073 -7.958 1.00 0.00 ATOM 612 ND2 ASN 78 12.242 -2.173 -8.460 1.00 0.00 ATOM 613 OD1 ASN 78 13.007 -4.267 -8.251 1.00 0.00 ATOM 614 O ASN 78 16.293 -0.163 -6.654 1.00 0.00 ATOM 615 C ASN 78 16.301 -1.392 -6.681 1.00 0.00 ATOM 616 N GLU 79 17.057 -2.124 -5.876 1.00 0.00 ATOM 617 CA GLU 79 17.882 -1.508 -4.844 1.00 0.00 ATOM 618 CB GLU 79 18.208 -2.521 -3.746 1.00 0.00 ATOM 619 CG GLU 79 16.977 -3.099 -3.069 1.00 0.00 ATOM 620 CD GLU 79 17.327 -4.011 -1.916 1.00 0.00 ATOM 621 OE1 GLU 79 17.406 -3.521 -0.770 1.00 0.00 ATOM 622 OE2 GLU 79 17.525 -5.222 -2.148 1.00 0.00 ATOM 623 O GLU 79 19.722 0.029 -4.954 1.00 0.00 ATOM 624 C GLU 79 19.166 -0.953 -5.444 1.00 0.00 ATOM 625 N ARG 80 19.624 -1.583 -6.514 1.00 0.00 ATOM 626 CA ARG 80 20.847 -1.168 -7.188 1.00 0.00 ATOM 627 CB ARG 80 21.224 -2.195 -8.248 1.00 0.00 ATOM 628 CG ARG 80 22.660 -2.087 -8.725 1.00 0.00 ATOM 629 CD ARG 80 22.987 -3.180 -9.726 1.00 0.00 ATOM 630 NE ARG 80 24.391 -3.156 -10.126 1.00 0.00 ATOM 631 CZ ARG 80 24.884 -3.847 -11.152 1.00 0.00 ATOM 632 NH1 ARG 80 24.095 -4.631 -11.879 1.00 0.00 ATOM 633 NH2 ARG 80 26.174 -3.768 -11.445 1.00 0.00 ATOM 634 O ARG 80 21.492 1.094 -7.681 1.00 0.00 ATOM 635 C ARG 80 20.659 0.202 -7.831 1.00 0.00 ATOM 636 N LEU 81 19.552 0.353 -8.544 1.00 0.00 ATOM 637 CA LEU 81 19.200 1.626 -9.168 1.00 0.00 ATOM 638 CB LEU 81 18.172 1.406 -10.275 1.00 0.00 ATOM 639 CG LEU 81 18.711 0.823 -11.575 1.00 0.00 ATOM 640 CD1 LEU 81 17.564 0.374 -12.464 1.00 0.00 ATOM 641 CD2 LEU 81 19.560 1.855 -12.293 1.00 0.00 ATOM 642 O LEU 81 18.615 3.809 -8.374 1.00 0.00 ATOM 643 C LEU 81 18.631 2.600 -8.144 1.00 0.00 ATOM 644 N ASN 82 18.163 2.055 -7.024 1.00 0.00 ATOM 645 CA ASN 82 17.523 2.838 -5.970 1.00 0.00 ATOM 646 CB ASN 82 18.467 3.925 -5.432 1.00 0.00 ATOM 647 CG ASN 82 17.906 4.646 -4.218 1.00 0.00 ATOM 648 ND2 ASN 82 18.260 5.910 -4.065 1.00 0.00 ATOM 649 OD1 ASN 82 17.161 4.071 -3.423 1.00 0.00 ATOM 650 O ASN 82 16.077 4.677 -6.565 1.00 0.00 ATOM 651 C ASN 82 16.220 3.455 -6.478 1.00 0.00 ATOM 652 N ILE 83 15.277 2.596 -6.848 1.00 0.00 ATOM 653 CA ILE 83 13.957 3.054 -7.255 1.00 0.00 ATOM 654 CB ILE 83 13.207 2.027 -8.148 1.00 0.00 ATOM 655 CG1 ILE 83 13.855 1.916 -9.529 1.00 0.00 ATOM 656 CG2 ILE 83 11.739 2.400 -8.298 1.00 0.00 ATOM 657 CD1 ILE 83 14.990 0.925 -9.592 1.00 0.00 ATOM 658 O ILE 83 12.866 2.474 -5.200 1.00 0.00 ATOM 659 C ILE 83 13.119 3.358 -6.023 1.00 0.00 ATOM 660 N GLY 84 12.710 4.612 -5.896 1.00 0.00 ATOM 661 CA GLY 84 11.918 5.028 -4.758 1.00 0.00 ATOM 662 O GLY 84 10.056 3.846 -5.693 1.00 0.00 ATOM 663 C GLY 84 10.581 4.316 -4.683 1.00 0.00 ATOM 664 N GLU 85 10.028 4.242 -3.486 1.00 0.00 ATOM 665 CA GLU 85 8.730 3.616 -3.276 1.00 0.00 ATOM 666 CB GLU 85 8.421 3.505 -1.785 1.00 0.00 ATOM 667 CG GLU 85 9.315 2.517 -1.057 1.00 0.00 ATOM 668 CD GLU 85 8.932 2.350 0.394 1.00 0.00 ATOM 669 OE1 GLU 85 9.654 2.865 1.271 1.00 0.00 ATOM 670 OE2 GLU 85 7.901 1.704 0.669 1.00 0.00 ATOM 671 O GLU 85 6.746 3.733 -4.613 1.00 0.00 ATOM 672 C GLU 85 7.612 4.367 -4.011 1.00 0.00 ATOM 673 N PRO 86 7.597 5.723 -3.974 1.00 0.00 ATOM 674 CA PRO 86 6.685 6.517 -4.810 1.00 0.00 ATOM 675 CB PRO 86 7.170 7.950 -4.600 1.00 0.00 ATOM 676 CG PRO 86 7.777 7.943 -3.244 1.00 0.00 ATOM 677 CD PRO 86 8.407 6.590 -3.086 1.00 0.00 ATOM 678 O PRO 86 5.815 6.265 -7.038 1.00 0.00 ATOM 679 C PRO 86 6.779 6.140 -6.289 1.00 0.00 ATOM 680 N LEU 87 7.946 5.665 -6.695 1.00 0.00 ATOM 681 CA LEU 87 8.174 5.248 -8.074 1.00 0.00 ATOM 682 CB LEU 87 9.677 5.198 -8.370 1.00 0.00 ATOM 683 CG LEU 87 10.355 6.527 -8.732 1.00 0.00 ATOM 684 CD1 LEU 87 10.233 6.797 -10.225 1.00 0.00 ATOM 685 CD2 LEU 87 9.765 7.688 -7.947 1.00 0.00 ATOM 686 O LEU 87 6.985 3.622 -9.384 1.00 0.00 ATOM 687 C LEU 87 7.546 3.880 -8.319 1.00 0.00 ATOM 688 N LEU 88 7.637 3.015 -7.314 1.00 0.00 ATOM 689 CA LEU 88 7.054 1.680 -7.384 1.00 0.00 ATOM 690 CB LEU 88 7.407 0.876 -6.129 1.00 0.00 ATOM 691 CG LEU 88 8.901 0.624 -5.910 1.00 0.00 ATOM 692 CD1 LEU 88 9.135 -0.055 -4.569 1.00 0.00 ATOM 693 CD2 LEU 88 9.467 -0.224 -7.041 1.00 0.00 ATOM 694 O LEU 88 4.941 1.017 -8.311 1.00 0.00 ATOM 695 C LEU 88 5.539 1.760 -7.534 1.00 0.00 ATOM 696 N VAL 89 4.923 2.670 -6.791 1.00 0.00 ATOM 697 CA VAL 89 3.482 2.851 -6.860 1.00 0.00 ATOM 698 CB VAL 89 2.918 3.596 -5.625 1.00 0.00 ATOM 699 CG1 VAL 89 3.238 2.831 -4.353 1.00 0.00 ATOM 700 CG2 VAL 89 3.448 5.018 -5.532 1.00 0.00 ATOM 701 O VAL 89 2.024 3.318 -8.705 1.00 0.00 ATOM 702 C VAL 89 3.088 3.578 -8.144 1.00 0.00 ATOM 703 N TYR 90 3.963 4.475 -8.609 1.00 0.00 ATOM 704 CA TYR 90 3.724 5.255 -9.826 1.00 0.00 ATOM 705 CB TYR 90 4.848 6.278 -10.024 1.00 0.00 ATOM 706 CG TYR 90 4.561 7.307 -11.097 1.00 0.00 ATOM 707 CD1 TYR 90 5.540 7.694 -12.003 1.00 0.00 ATOM 708 CD2 TYR 90 3.307 7.894 -11.201 1.00 0.00 ATOM 709 CE1 TYR 90 5.274 8.637 -12.980 1.00 0.00 ATOM 710 CE2 TYR 90 3.035 8.834 -12.174 1.00 0.00 ATOM 711 CZ TYR 90 4.019 9.204 -13.058 1.00 0.00 ATOM 712 OH TYR 90 3.744 10.141 -14.029 1.00 0.00 ATOM 713 O TYR 90 2.986 4.687 -12.051 1.00 0.00 ATOM 714 C TYR 90 3.625 4.346 -11.050 1.00 0.00 ATOM 715 N LEU 91 4.261 3.185 -10.961 1.00 0.00 ATOM 716 CA LEU 91 4.198 2.191 -12.021 1.00 0.00 ATOM 717 CB LEU 91 5.170 1.041 -11.706 1.00 0.00 ATOM 718 CG LEU 91 5.468 0.064 -12.854 1.00 0.00 ATOM 719 CD1 LEU 91 6.833 -0.576 -12.655 1.00 0.00 ATOM 720 CD2 LEU 91 4.404 -1.020 -12.942 1.00 0.00 ATOM 721 O LEU 91 2.344 1.258 -13.240 1.00 0.00 ATOM 722 C LEU 91 2.762 1.685 -12.164 1.00 0.00 ATOM 723 N ARG 92 2.002 1.780 -11.078 1.00 0.00 ATOM 724 CA ARG 92 0.621 1.317 -11.062 1.00 0.00 ATOM 725 CB ARG 92 0.328 0.571 -9.758 1.00 0.00 ATOM 726 CG ARG 92 1.476 -0.312 -9.292 1.00 0.00 ATOM 727 CD ARG 92 1.095 -1.128 -8.071 1.00 0.00 ATOM 728 NE ARG 92 0.442 -0.317 -7.045 1.00 0.00 ATOM 729 CZ ARG 92 0.177 -0.750 -5.816 1.00 0.00 ATOM 730 NH1 ARG 92 0.611 -1.934 -5.412 1.00 0.00 ATOM 731 NH2 ARG 92 -0.513 0.012 -4.981 1.00 0.00 ATOM 732 O ARG 92 -0.962 2.669 -12.264 1.00 0.00 ATOM 733 C ARG 92 -0.336 2.499 -11.219 1.00 0.00 ATOM 734 N ARG 93 -0.424 3.330 -10.187 1.00 0.00 ATOM 735 CA ARG 93 -1.289 4.507 -10.216 1.00 0.00 ATOM 736 CB ARG 93 -2.453 4.366 -9.234 1.00 0.00 ATOM 737 CG ARG 93 -3.413 3.242 -9.580 1.00 0.00 ATOM 738 CD ARG 93 -4.665 3.298 -8.724 1.00 0.00 ATOM 739 NE ARG 93 -5.462 4.497 -8.988 1.00 0.00 ATOM 740 CZ ARG 93 -6.750 4.616 -8.675 1.00 0.00 ATOM 741 NH1 ARG 93 -7.384 3.621 -8.066 1.00 0.00 ATOM 742 NH2 ARG 93 -7.401 5.739 -8.956 1.00 0.00 ATOM 743 O ARG 93 0.734 5.682 -9.738 1.00 0.00 ATOM 744 C ARG 93 -0.481 5.754 -9.893 1.00 0.00 ATOM 745 N GLN 94 -1.146 6.895 -9.782 1.00 0.00 ATOM 746 CA GLN 94 -0.435 8.148 -9.595 1.00 0.00 ATOM 747 CB GLN 94 0.008 8.713 -10.950 1.00 0.00 ATOM 748 CG GLN 94 -1.132 9.046 -11.909 1.00 0.00 ATOM 749 CD GLN 94 -1.703 7.831 -12.618 1.00 0.00 ATOM 750 OE1 GLN 94 -2.646 7.201 -12.140 1.00 0.00 ATOM 751 NE2 GLN 94 -1.136 7.496 -13.766 1.00 0.00 ATOM 752 O GLN 94 -2.503 9.112 -8.820 1.00 0.00 ATOM 753 C GLN 94 -1.272 9.191 -8.864 1.00 0.00 ATOM 754 N ASP 95 -0.578 10.157 -8.272 1.00 0.00 ATOM 755 CA ASP 95 -1.211 11.354 -7.725 1.00 0.00 ATOM 756 CB ASP 95 -0.422 11.876 -6.517 1.00 0.00 ATOM 757 CG ASP 95 -1.091 13.058 -5.838 1.00 0.00 ATOM 758 OD1 ASP 95 -0.900 14.202 -6.293 1.00 0.00 ATOM 759 OD2 ASP 95 -1.805 12.848 -4.835 1.00 0.00 ATOM 760 O ASP 95 -2.320 12.883 -9.218 1.00 0.00 ATOM 761 C ASP 95 -1.255 12.403 -8.827 1.00 0.00 ATOM 762 N LEU 96 -0.075 12.736 -9.333 1.00 0.00 ATOM 763 CA LEU 96 0.049 13.505 -10.561 1.00 0.00 ATOM 764 CB LEU 96 1.364 14.307 -10.593 1.00 0.00 ATOM 765 CG LEU 96 1.459 15.510 -9.644 1.00 0.00 ATOM 766 CD1 LEU 96 0.246 16.413 -9.800 1.00 0.00 ATOM 767 CD2 LEU 96 1.625 15.061 -8.199 1.00 0.00 ATOM 768 O LEU 96 0.860 11.643 -11.806 1.00 0.00 ATOM 769 C LEU 96 0.019 12.538 -11.736 1.00 0.00 ATOM 770 N PRO 97 -0.952 12.691 -12.659 1.00 0.00 ATOM 771 CA PRO 97 -1.111 11.787 -13.808 1.00 0.00 ATOM 772 CB PRO 97 -2.089 12.534 -14.713 1.00 0.00 ATOM 773 CG PRO 97 -2.885 13.386 -13.788 1.00 0.00 ATOM 774 CD PRO 97 -1.962 13.764 -12.660 1.00 0.00 ATOM 775 O PRO 97 0.671 10.421 -14.672 1.00 0.00 ATOM 776 C PRO 97 0.211 11.555 -14.524 1.00 0.00 ATOM 777 N GLU 98 0.816 12.648 -14.948 1.00 0.00 ATOM 778 CA GLU 98 2.149 12.630 -15.504 1.00 0.00 ATOM 779 CB GLU 98 2.115 12.951 -16.995 1.00 0.00 ATOM 780 CG GLU 98 1.412 11.897 -17.827 1.00 0.00 ATOM 781 CD GLU 98 1.244 12.325 -19.265 1.00 0.00 ATOM 782 OE1 GLU 98 2.067 13.125 -19.751 1.00 0.00 ATOM 783 OE2 GLU 98 0.285 11.867 -19.920 1.00 0.00 ATOM 784 O GLU 98 2.605 14.825 -14.685 1.00 0.00 ATOM 785 C GLU 98 2.986 13.655 -14.770 1.00 0.00 ATOM 786 N ILE 99 4.104 13.222 -14.217 1.00 0.00 ATOM 787 CA ILE 99 4.958 14.126 -13.474 1.00 0.00 ATOM 788 CB ILE 99 5.997 13.369 -12.621 1.00 0.00 ATOM 789 CG1 ILE 99 5.289 12.431 -11.639 1.00 0.00 ATOM 790 CG2 ILE 99 6.886 14.351 -11.874 1.00 0.00 ATOM 791 CD1 ILE 99 6.233 11.613 -10.782 1.00 0.00 ATOM 792 O ILE 99 6.496 14.663 -15.238 1.00 0.00 ATOM 793 C ILE 99 5.654 15.072 -14.439 1.00 0.00 ATOM 794 N THR 100 5.262 16.329 -14.385 1.00 0.00 ATOM 795 CA THR 100 5.762 17.325 -15.310 1.00 0.00 ATOM 796 CB THR 100 4.601 18.052 -16.017 1.00 0.00 ATOM 797 CG2 THR 100 4.184 17.313 -17.279 1.00 0.00 ATOM 798 OG1 THR 100 3.476 18.161 -15.130 1.00 0.00 ATOM 799 O THR 100 6.297 18.873 -13.551 1.00 0.00 ATOM 800 C THR 100 6.655 18.330 -14.599 1.00 0.00 ATOM 801 N ALA 101 7.829 18.552 -15.161 1.00 0.00 ATOM 802 CA ALA 101 8.772 19.499 -14.605 1.00 0.00 ATOM 803 CB ALA 101 10.007 18.778 -14.087 1.00 0.00 ATOM 804 O ALA 101 9.658 20.176 -16.719 1.00 0.00 ATOM 805 C ALA 101 9.158 20.528 -15.649 1.00 0.00 ATOM 806 N GLN 102 8.900 21.790 -15.351 1.00 0.00 ATOM 807 CA GLN 102 9.277 22.869 -16.244 1.00 0.00 ATOM 808 CB GLN 102 8.113 23.249 -17.169 1.00 0.00 ATOM 809 CG GLN 102 6.916 23.864 -16.463 1.00 0.00 ATOM 810 CD GLN 102 5.773 24.150 -17.415 1.00 0.00 ATOM 811 OE1 GLN 102 5.707 25.218 -18.024 1.00 0.00 ATOM 812 NE2 GLN 102 4.857 23.202 -17.538 1.00 0.00 ATOM 813 O GLN 102 9.200 24.375 -14.379 1.00 0.00 ATOM 814 C GLN 102 9.745 24.074 -15.443 1.00 0.00 ATOM 815 N ARG 103 10.766 24.742 -15.941 1.00 0.00 ATOM 816 CA ARG 103 11.307 25.910 -15.272 1.00 0.00 ATOM 817 CB ARG 103 12.657 25.584 -14.628 1.00 0.00 ATOM 818 CG ARG 103 13.650 24.931 -15.576 1.00 0.00 ATOM 819 CD ARG 103 15.013 24.778 -14.930 1.00 0.00 ATOM 820 NE ARG 103 15.963 24.103 -15.811 1.00 0.00 ATOM 821 CZ ARG 103 16.724 24.726 -16.708 1.00 0.00 ATOM 822 NH1 ARG 103 16.625 26.042 -16.880 1.00 0.00 ATOM 823 NH2 ARG 103 17.586 24.029 -17.438 1.00 0.00 ATOM 824 O ARG 103 12.007 26.906 -17.336 1.00 0.00 ATOM 825 C ARG 103 11.448 27.063 -16.252 1.00 0.00 ATOM 826 N GLN 104 10.922 28.213 -15.876 1.00 0.00 ATOM 827 CA GLN 104 10.988 29.392 -16.721 1.00 0.00 ATOM 828 CB GLN 104 9.606 29.720 -17.308 1.00 0.00 ATOM 829 CG GLN 104 8.424 29.334 -16.422 1.00 0.00 ATOM 830 CD GLN 104 8.363 30.113 -15.123 1.00 0.00 ATOM 831 OE1 GLN 104 8.912 29.689 -14.106 1.00 0.00 ATOM 832 NE2 GLN 104 7.686 31.248 -15.148 1.00 0.00 ATOM 833 O GLN 104 11.497 30.623 -14.723 1.00 0.00 ATOM 834 C GLN 104 11.561 30.576 -15.953 1.00 0.00 ATOM 835 N LEU 105 12.144 31.514 -16.679 1.00 0.00 ATOM 836 CA LEU 105 12.783 32.668 -16.066 1.00 0.00 ATOM 837 CB LEU 105 14.304 32.557 -16.217 1.00 0.00 ATOM 838 CG LEU 105 15.121 33.562 -15.402 1.00 0.00 ATOM 839 CD1 LEU 105 14.807 33.432 -13.919 1.00 0.00 ATOM 840 CD2 LEU 105 16.604 33.359 -15.650 1.00 0.00 ATOM 841 O LEU 105 12.899 35.006 -16.642 1.00 0.00 ATOM 842 C LEU 105 12.265 33.952 -16.704 1.00 0.00 ATOM 843 N ARG 106 11.097 33.856 -17.315 1.00 0.00 ATOM 844 CA ARG 106 10.471 35.009 -17.934 1.00 0.00 ATOM 845 CB ARG 106 9.525 34.572 -19.053 1.00 0.00 ATOM 846 CG ARG 106 10.238 33.900 -20.214 1.00 0.00 ATOM 847 CD ARG 106 9.265 33.485 -21.304 1.00 0.00 ATOM 848 NE ARG 106 8.513 34.623 -21.832 1.00 0.00 ATOM 849 CZ ARG 106 7.578 34.525 -22.774 1.00 0.00 ATOM 850 NH1 ARG 106 7.319 33.354 -23.349 1.00 0.00 ATOM 851 NH2 ARG 106 6.917 35.606 -23.160 1.00 0.00 ATOM 852 O ARG 106 10.316 36.786 -16.354 1.00 0.00 ATOM 853 C ARG 106 9.725 35.821 -16.886 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_850299739.pdb -s /var/tmp/to_scwrl_850299739.seq -o /var/tmp/from_scwrl_850299739.pdb > /var/tmp/scwrl_850299739.log sh: /var/tmp/scwrl_850299739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_850299739.pdb or /var/tmp/from_scwrl_850299739.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_850299739_b.pdb or /var/tmp/from_scwrl_850299739_b.pdb.gz for input Trying /var/tmp/from_scwrl_850299739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_850299739_b.pdb or /var/tmp/from_scwrl_850299739_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_850299739_a.pdb or /var/tmp/from_scwrl_850299739_a.pdb.gz for input Trying /var/tmp/from_scwrl_850299739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_850299739_a.pdb or /var/tmp/from_scwrl_850299739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_850299739.pdb or /var/tmp/from_scwrl_850299739_b.pdb or /var/tmp/from_scwrl_850299739_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 105 # 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 = -23.349 # GDT_score(maxd=8.000,maxw=2.900)= -21.249 # GDT_score(maxd=8.000,maxw=3.200)= -19.964 # GDT_score(maxd=8.000,maxw=3.500)= -18.900 # GDT_score(maxd=10.000,maxw=3.800)= -21.892 # GDT_score(maxd=10.000,maxw=4.000)= -21.175 # GDT_score(maxd=10.000,maxw=4.200)= -20.526 # GDT_score(maxd=12.000,maxw=4.300)= -23.449 # GDT_score(maxd=12.000,maxw=4.500)= -22.743 # GDT_score(maxd=12.000,maxw=4.700)= -22.057 # GDT_score(maxd=14.000,maxw=5.200)= -23.022 # GDT_score(maxd=14.000,maxw=5.500)= -22.115 # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1116238947.pdb -s /var/tmp/to_scwrl_1116238947.seq -o /var/tmp/from_scwrl_1116238947.pdb > /var/tmp/scwrl_1116238947.log sh: /var/tmp/scwrl_1116238947.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1116238947.pdb or /var/tmp/from_scwrl_1116238947.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1116238947_b.pdb or /var/tmp/from_scwrl_1116238947_b.pdb.gz for input Trying /var/tmp/from_scwrl_1116238947_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1116238947_b.pdb or /var/tmp/from_scwrl_1116238947_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1116238947_a.pdb or /var/tmp/from_scwrl_1116238947_a.pdb.gz for input Trying /var/tmp/from_scwrl_1116238947_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1116238947_a.pdb or /var/tmp/from_scwrl_1116238947_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1116238947.pdb or /var/tmp/from_scwrl_1116238947_b.pdb or /var/tmp/from_scwrl_1116238947_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 102 # 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 = -15.802 # GDT_score(maxd=8.000,maxw=2.900)= -13.995 # GDT_score(maxd=8.000,maxw=3.200)= -13.214 # GDT_score(maxd=8.000,maxw=3.500)= -12.566 # GDT_score(maxd=10.000,maxw=3.800)= -14.945 # GDT_score(maxd=10.000,maxw=4.000)= -14.481 # GDT_score(maxd=10.000,maxw=4.200)= -14.033 # GDT_score(maxd=12.000,maxw=4.300)= -16.549 # GDT_score(maxd=12.000,maxw=4.500)= -16.031 # GDT_score(maxd=12.000,maxw=4.700)= -15.550 # GDT_score(maxd=14.000,maxw=5.200)= -16.927 # GDT_score(maxd=14.000,maxw=5.500)= -16.261 # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1169268786.pdb -s /var/tmp/to_scwrl_1169268786.seq -o /var/tmp/from_scwrl_1169268786.pdb > /var/tmp/scwrl_1169268786.log sh: /var/tmp/scwrl_1169268786.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1169268786.pdb or /var/tmp/from_scwrl_1169268786.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1169268786_b.pdb or /var/tmp/from_scwrl_1169268786_b.pdb.gz for input Trying /var/tmp/from_scwrl_1169268786_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1169268786_b.pdb or /var/tmp/from_scwrl_1169268786_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1169268786_a.pdb or /var/tmp/from_scwrl_1169268786_a.pdb.gz for input Trying /var/tmp/from_scwrl_1169268786_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1169268786_a.pdb or /var/tmp/from_scwrl_1169268786_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1169268786.pdb or /var/tmp/from_scwrl_1169268786_b.pdb or /var/tmp/from_scwrl_1169268786_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 101 # 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 = -18.396 # GDT_score(maxd=8.000,maxw=2.900)= -17.439 # GDT_score(maxd=8.000,maxw=3.200)= -16.401 # GDT_score(maxd=8.000,maxw=3.500)= -15.480 # GDT_score(maxd=10.000,maxw=3.800)= -17.309 # GDT_score(maxd=10.000,maxw=4.000)= -16.726 # GDT_score(maxd=10.000,maxw=4.200)= -16.199 # GDT_score(maxd=12.000,maxw=4.300)= -18.395 # GDT_score(maxd=12.000,maxw=4.500)= -17.829 # GDT_score(maxd=12.000,maxw=4.700)= -17.306 # GDT_score(maxd=14.000,maxw=5.200)= -18.355 # GDT_score(maxd=14.000,maxw=5.500)= -17.612 # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_421913293.pdb -s /var/tmp/to_scwrl_421913293.seq -o /var/tmp/from_scwrl_421913293.pdb > /var/tmp/scwrl_421913293.log sh: /var/tmp/scwrl_421913293.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_421913293.pdb or /var/tmp/from_scwrl_421913293.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_421913293_b.pdb or /var/tmp/from_scwrl_421913293_b.pdb.gz for input Trying /var/tmp/from_scwrl_421913293_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_421913293_b.pdb or /var/tmp/from_scwrl_421913293_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_421913293_a.pdb or /var/tmp/from_scwrl_421913293_a.pdb.gz for input Trying /var/tmp/from_scwrl_421913293_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_421913293_a.pdb or /var/tmp/from_scwrl_421913293_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_421913293.pdb or /var/tmp/from_scwrl_421913293_b.pdb or /var/tmp/from_scwrl_421913293_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 96 # 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 = -19.104 # GDT_score(maxd=8.000,maxw=2.900)= -17.343 # GDT_score(maxd=8.000,maxw=3.200)= -16.550 # GDT_score(maxd=8.000,maxw=3.500)= -15.859 # GDT_score(maxd=10.000,maxw=3.800)= -17.933 # GDT_score(maxd=10.000,maxw=4.000)= -17.451 # GDT_score(maxd=10.000,maxw=4.200)= -16.979 # GDT_score(maxd=12.000,maxw=4.300)= -19.335 # GDT_score(maxd=12.000,maxw=4.500)= -18.811 # GDT_score(maxd=12.000,maxw=4.700)= -18.294 # GDT_score(maxd=14.000,maxw=5.200)= -19.354 # GDT_score(maxd=14.000,maxw=5.500)= -18.608 # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_548127291.pdb -s /var/tmp/to_scwrl_548127291.seq -o /var/tmp/from_scwrl_548127291.pdb > /var/tmp/scwrl_548127291.log sh: /var/tmp/scwrl_548127291.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_548127291.pdb or /var/tmp/from_scwrl_548127291.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_548127291_b.pdb or /var/tmp/from_scwrl_548127291_b.pdb.gz for input Trying /var/tmp/from_scwrl_548127291_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_548127291_b.pdb or /var/tmp/from_scwrl_548127291_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_548127291_a.pdb or /var/tmp/from_scwrl_548127291_a.pdb.gz for input Trying /var/tmp/from_scwrl_548127291_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_548127291_a.pdb or /var/tmp/from_scwrl_548127291_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_548127291.pdb or /var/tmp/from_scwrl_548127291_b.pdb or /var/tmp/from_scwrl_548127291_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0314.try1-opt2.pdb looking for model 1 # Found a chain break before 97 # 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 = -19.575 # GDT_score(maxd=8.000,maxw=2.900)= -17.385 # GDT_score(maxd=8.000,maxw=3.200)= -16.512 # GDT_score(maxd=8.000,maxw=3.500)= -15.610 # GDT_score(maxd=10.000,maxw=3.800)= -18.143 # GDT_score(maxd=10.000,maxw=4.000)= -17.519 # GDT_score(maxd=10.000,maxw=4.200)= -16.955 # GDT_score(maxd=12.000,maxw=4.300)= -19.611 # GDT_score(maxd=12.000,maxw=4.500)= -18.991 # GDT_score(maxd=12.000,maxw=4.700)= -18.424 # GDT_score(maxd=14.000,maxw=5.200)= -19.610 # GDT_score(maxd=14.000,maxw=5.500)= -18.798 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0314.try1-real.pdb for output Error: Couldn't open file T0314.try1-real.pdb for output superimposing iter= 0 total_weight= 1277 rmsd (weighted)= 15.2088 (unweighted)= 15.4771 superimposing iter= 1 total_weight= 1770.54 rmsd (weighted)= 10.2834 (unweighted)= 15.6243 superimposing iter= 2 total_weight= 1050.05 rmsd (weighted)= 9.1232 (unweighted)= 15.8733 superimposing iter= 3 total_weight= 978.044 rmsd (weighted)= 8.41881 (unweighted)= 16.1132 superimposing iter= 4 total_weight= 948.151 rmsd (weighted)= 7.90417 (unweighted)= 16.3077 superimposing iter= 5 total_weight= 923.688 rmsd (weighted)= 7.53305 (unweighted)= 16.4427 EXPDTA T0314.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0314.try1-opt2.pdb ATOM 1 N MET A 1 9.760 5.829 -19.385 1.00 0.00 ATOM 2 CA MET A 1 9.062 6.817 -18.579 1.00 0.00 ATOM 3 CB MET A 1 9.854 7.126 -17.307 1.00 0.00 ATOM 4 CG MET A 1 9.134 8.048 -16.337 1.00 0.00 ATOM 5 SD MET A 1 7.686 7.277 -15.589 1.00 0.00 ATOM 6 CE MET A 1 8.461 6.049 -14.540 1.00 0.00 ATOM 7 O MET A 1 9.814 8.588 -20.003 1.00 0.00 ATOM 8 C MET A 1 8.872 8.097 -19.382 1.00 0.00 ATOM 9 N SER A 2 7.652 8.646 -19.392 1.00 0.00 ATOM 10 CA SER A 2 7.365 9.875 -20.129 1.00 0.00 ATOM 11 CB SER A 2 5.931 9.847 -20.661 1.00 0.00 ATOM 12 OG SER A 2 5.011 9.856 -19.588 1.00 0.00 ATOM 13 O SER A 2 7.324 12.239 -19.780 1.00 0.00 ATOM 14 C SER A 2 7.572 11.139 -19.291 1.00 0.00 ATOM 15 N ILE A 3 8.014 10.987 -18.042 1.00 0.00 ATOM 16 CA ILE A 3 8.204 12.133 -17.157 1.00 0.00 ATOM 17 CB ILE A 3 7.486 11.894 -15.801 1.00 0.00 ATOM 18 CG1 ILE A 3 5.998 11.586 -16.003 1.00 0.00 ATOM 19 CG2 ILE A 3 7.668 13.111 -14.893 1.00 0.00 ATOM 20 CD1 ILE A 3 5.272 11.167 -14.730 1.00 0.00 ATOM 21 O ILE A 3 10.317 11.635 -16.165 1.00 0.00 ATOM 22 C ILE A 3 9.670 12.412 -16.867 1.00 0.00 ATOM 23 N THR A 4 10.183 13.509 -17.424 1.00 0.00 ATOM 24 CA THR A 4 11.498 14.012 -17.072 1.00 0.00 ATOM 25 CB THR A 4 12.306 14.412 -18.307 1.00 0.00 ATOM 26 CG2 THR A 4 13.645 15.063 -17.910 1.00 0.00 ATOM 27 OG1 THR A 4 12.668 13.225 -19.025 1.00 0.00 ATOM 28 O THR A 4 10.648 16.186 -16.601 1.00 0.00 ATOM 29 C THR A 4 11.289 15.217 -16.188 1.00 0.00 ATOM 30 N SER A 5 11.838 15.150 -14.983 1.00 0.00 ATOM 31 CA SER A 5 11.668 16.191 -13.992 1.00 0.00 ATOM 32 CB SER A 5 11.085 15.589 -12.712 1.00 0.00 ATOM 33 OG SER A 5 9.824 14.994 -12.926 1.00 0.00 ATOM 34 O SER A 5 13.994 16.143 -13.484 1.00 0.00 ATOM 35 C SER A 5 12.979 16.828 -13.597 1.00 0.00 ATOM 36 N THR A 6 12.917 18.120 -13.290 1.00 0.00 ATOM 37 CA THR A 6 14.028 18.795 -12.635 1.00 0.00 ATOM 38 CB THR A 6 13.706 20.286 -12.568 1.00 0.00 ATOM 39 CG2 THR A 6 14.816 21.027 -11.804 1.00 0.00 ATOM 40 OG1 THR A 6 13.723 20.784 -13.923 1.00 0.00 ATOM 41 O THR A 6 15.461 18.026 -10.878 1.00 0.00 ATOM 42 C THR A 6 14.306 18.252 -11.243 1.00 0.00 ATOM 43 N ASP A 7 13.242 18.075 -10.459 1.00 0.00 ATOM 44 CA ASP A 7 13.379 17.562 -9.107 1.00 0.00 ATOM 45 CB ASP A 7 12.006 17.419 -8.446 1.00 0.00 ATOM 46 CG ASP A 7 11.394 18.754 -8.077 1.00 0.00 ATOM 47 OD1 ASP A 7 12.120 19.770 -8.111 1.00 0.00 ATOM 48 OD2 ASP A 7 10.188 18.787 -7.753 1.00 0.00 ATOM 49 O ASP A 7 14.937 15.874 -8.380 1.00 0.00 ATOM 50 C ASP A 7 14.060 16.194 -9.181 1.00 0.00 ATOM 51 N ILE A 8 13.658 15.414 -10.162 1.00 0.00 ATOM 52 CA ILE A 8 14.217 14.077 -10.327 1.00 0.00 ATOM 53 CB ILE A 8 13.485 13.264 -11.412 1.00 0.00 ATOM 54 CG1 ILE A 8 12.053 12.956 -10.972 1.00 0.00 ATOM 55 CG2 ILE A 8 14.204 11.949 -11.666 1.00 0.00 ATOM 56 CD1 ILE A 8 11.182 12.398 -12.076 1.00 0.00 ATOM 57 O ILE A 8 16.523 13.473 -10.076 1.00 0.00 ATOM 58 C ILE A 8 15.683 14.136 -10.708 1.00 0.00 ATOM 59 N CYS A 9 16.025 14.858 -11.717 1.00 0.00 ATOM 60 CA CYS A 9 17.421 14.983 -12.118 1.00 0.00 ATOM 61 CB CYS A 9 17.552 15.913 -13.327 1.00 0.00 ATOM 62 SG CYS A 9 19.224 16.032 -14.001 1.00 0.00 ATOM 63 O CYS A 9 19.424 15.159 -10.771 1.00 0.00 ATOM 64 C CYS A 9 18.268 15.554 -10.974 1.00 0.00 ATOM 65 N GLN A 10 17.660 16.457 -10.193 1.00 0.00 ATOM 66 CA GLN A 10 18.362 17.037 -9.073 1.00 0.00 ATOM 67 CB GLN A 10 17.520 18.139 -8.426 1.00 0.00 ATOM 68 CG GLN A 10 17.373 19.389 -9.280 1.00 0.00 ATOM 69 CD GLN A 10 16.444 20.413 -8.657 1.00 0.00 ATOM 70 OE1 GLN A 10 15.821 20.155 -7.628 1.00 0.00 ATOM 71 NE2 GLN A 10 16.349 21.580 -9.283 1.00 0.00 ATOM 72 O GLN A 10 19.791 15.957 -7.477 1.00 0.00 ATOM 73 C GLN A 10 18.692 15.973 -8.033 1.00 0.00 ATOM 74 N ALA A 11 17.753 15.084 -7.789 1.00 0.00 ATOM 75 CA ALA A 11 17.973 14.018 -6.819 1.00 0.00 ATOM 76 CB ALA A 11 16.730 13.150 -6.691 1.00 0.00 ATOM 77 O ALA A 11 19.982 12.753 -6.464 1.00 0.00 ATOM 78 C ALA A 11 19.138 13.144 -7.270 1.00 0.00 ATOM 79 N ALA A 12 19.173 12.843 -8.564 1.00 0.00 ATOM 80 CA ALA A 12 20.239 12.014 -9.115 1.00 0.00 ATOM 81 CB ALA A 12 19.978 11.712 -10.582 1.00 0.00 ATOM 82 O ALA A 12 22.579 12.038 -8.628 1.00 0.00 ATOM 83 C ALA A 12 21.601 12.689 -9.005 1.00 0.00 ATOM 84 N ASP A 13 21.647 14.001 -9.243 1.00 0.00 ATOM 85 CA ASP A 13 22.873 14.778 -9.058 1.00 0.00 ATOM 86 CB ASP A 13 22.698 16.250 -9.439 1.00 0.00 ATOM 87 CG ASP A 13 22.551 16.452 -10.934 1.00 0.00 ATOM 88 OD1 ASP A 13 22.829 15.499 -11.692 1.00 0.00 ATOM 89 OD2 ASP A 13 22.159 17.562 -11.348 1.00 0.00 ATOM 90 O ASP A 13 24.543 14.399 -7.364 1.00 0.00 ATOM 91 C ASP A 13 23.369 14.681 -7.613 1.00 0.00 ATOM 92 N ALA A 14 22.455 14.900 -6.651 1.00 0.00 ATOM 93 CA ALA A 14 22.787 14.860 -5.232 1.00 0.00 ATOM 94 CB ALA A 14 21.579 15.205 -4.376 1.00 0.00 ATOM 95 O ALA A 14 24.125 13.419 -3.868 1.00 0.00 ATOM 96 C ALA A 14 23.300 13.503 -4.782 1.00 0.00 ATOM 97 N LEU A 15 22.746 12.440 -5.347 1.00 0.00 ATOM 98 CA LEU A 15 23.106 11.083 -5.009 1.00 0.00 ATOM 99 CB LEU A 15 21.887 10.166 -5.111 1.00 0.00 ATOM 100 CG LEU A 15 20.715 10.488 -4.184 1.00 0.00 ATOM 101 CD1 LEU A 15 19.541 9.560 -4.455 1.00 0.00 ATOM 102 CD2 LEU A 15 21.120 10.325 -2.727 1.00 0.00 ATOM 103 O LEU A 15 24.609 9.387 -5.762 1.00 0.00 ATOM 104 C LEU A 15 24.191 10.548 -5.900 1.00 0.00 ATOM 105 N LYS A 16 24.701 11.324 -6.847 1.00 0.00 ATOM 106 CA LYS A 16 25.749 10.847 -7.736 1.00 0.00 ATOM 107 CB LYS A 16 27.023 10.507 -6.959 1.00 0.00 ATOM 108 CG LYS A 16 27.650 11.694 -6.247 1.00 0.00 ATOM 109 CD LYS A 16 28.896 11.282 -5.479 1.00 0.00 ATOM 110 CE LYS A 16 29.504 12.462 -4.740 1.00 0.00 ATOM 111 NZ LYS A 16 30.659 12.051 -3.894 1.00 0.00 ATOM 112 O LYS A 16 26.090 8.649 -8.681 1.00 0.00 ATOM 113 C LYS A 16 25.326 9.594 -8.507 1.00 0.00 ATOM 114 N GLY A 17 24.139 9.651 -9.110 1.00 0.00 ATOM 115 CA GLY A 17 23.601 8.572 -9.909 1.00 0.00 ATOM 116 O GLY A 17 23.863 10.014 -11.798 1.00 0.00 ATOM 117 C GLY A 17 23.760 8.859 -11.388 1.00 0.00 ATOM 118 N PHE A 18 23.788 7.797 -12.181 1.00 0.00 ATOM 119 CA PHE A 18 23.889 7.905 -13.630 1.00 0.00 ATOM 120 CB PHE A 18 25.298 7.420 -14.068 1.00 0.00 ATOM 121 CG PHE A 18 26.444 8.180 -13.445 1.00 0.00 ATOM 122 CD1 PHE A 18 26.950 7.774 -12.203 1.00 0.00 ATOM 123 CD2 PHE A 18 27.015 9.235 -14.086 1.00 0.00 ATOM 124 CE1 PHE A 18 28.049 8.448 -11.627 1.00 0.00 ATOM 125 CE2 PHE A 18 28.119 9.924 -13.526 1.00 0.00 ATOM 126 CZ PHE A 18 28.622 9.520 -12.310 1.00 0.00 ATOM 127 O PHE A 18 22.754 5.838 -13.915 1.00 0.00 ATOM 128 C PHE A 18 22.834 7.010 -14.254 1.00 0.00 ATOM 129 N VAL A 19 22.055 7.560 -15.173 1.00 0.00 ATOM 130 CA VAL A 19 21.009 6.830 -15.867 1.00 0.00 ATOM 131 CB VAL A 19 19.689 7.612 -15.830 1.00 0.00 ATOM 132 CG1 VAL A 19 18.611 6.818 -16.554 1.00 0.00 ATOM 133 CG2 VAL A 19 19.316 7.897 -14.383 1.00 0.00 ATOM 134 O VAL A 19 21.834 7.504 -18.039 1.00 0.00 ATOM 135 C VAL A 19 21.407 6.589 -17.324 1.00 0.00 ATOM 136 N GLY A 20 21.390 5.343 -17.719 1.00 0.00 ATOM 137 CA GLY A 20 21.704 4.947 -19.077 1.00 0.00 ATOM 138 O GLY A 20 19.680 3.731 -18.703 1.00 0.00 ATOM 139 C GLY A 20 20.569 4.017 -19.505 1.00 0.00 ATOM 140 N PHE A 21 20.583 3.534 -20.737 1.00 0.00 ATOM 141 CA PHE A 21 19.510 2.655 -21.186 1.00 0.00 ATOM 142 CB PHE A 21 18.981 3.195 -22.501 1.00 0.00 ATOM 143 CG PHE A 21 18.217 4.478 -22.313 1.00 0.00 ATOM 144 CD1 PHE A 21 16.887 4.459 -21.897 1.00 0.00 ATOM 145 CD2 PHE A 21 18.842 5.710 -22.497 1.00 0.00 ATOM 146 CE1 PHE A 21 16.192 5.650 -21.665 1.00 0.00 ATOM 147 CE2 PHE A 21 18.157 6.908 -22.267 1.00 0.00 ATOM 148 CZ PHE A 21 16.828 6.876 -21.849 1.00 0.00 ATOM 149 O PHE A 21 21.164 1.391 -22.352 1.00 0.00 ATOM 150 C PHE A 21 20.114 1.365 -21.715 1.00 0.00 ATOM 151 N ASN A 22 19.469 0.241 -21.438 1.00 0.00 ATOM 152 CA ASN A 22 19.951 -1.049 -21.904 1.00 0.00 ATOM 153 CB ASN A 22 19.960 -2.066 -20.760 1.00 0.00 ATOM 154 CG ASN A 22 20.500 -3.417 -21.188 1.00 0.00 ATOM 155 ND2 ASN A 22 20.920 -4.220 -20.216 1.00 0.00 ATOM 156 OD1 ASN A 22 20.540 -3.733 -22.377 1.00 0.00 ATOM 157 O ASN A 22 18.062 -2.381 -22.648 1.00 0.00 ATOM 158 C ASN A 22 19.102 -1.784 -22.940 1.00 0.00 ATOM 159 N ARG A 23 19.572 -1.768 -24.224 1.00 0.00 ATOM 160 CA ARG A 23 18.770 -2.265 -25.325 1.00 0.00 ATOM 161 CB ARG A 23 19.481 -1.916 -26.634 1.00 0.00 ATOM 162 CG ARG A 23 18.708 -2.305 -27.885 1.00 0.00 ATOM 163 CD ARG A 23 17.649 -1.269 -28.223 1.00 0.00 ATOM 164 NE ARG A 23 16.478 -1.379 -27.356 1.00 0.00 ATOM 165 CZ ARG A 23 15.486 -2.244 -27.547 1.00 0.00 ATOM 166 NH1 ARG A 23 14.461 -2.272 -26.706 1.00 0.00 ATOM 167 NH2 ARG A 23 15.523 -3.077 -28.577 1.00 0.00 ATOM 168 O ARG A 23 19.161 -4.491 -24.542 1.00 0.00 ATOM 169 C ARG A 23 18.543 -3.769 -25.316 1.00 0.00 ATOM 170 N LYS A 24 17.596 -4.268 -26.222 1.00 0.00 ATOM 171 CA LYS A 24 17.311 -5.697 -26.227 1.00 0.00 ATOM 172 CB LYS A 24 16.179 -6.014 -27.205 1.00 0.00 ATOM 173 CG LYS A 24 14.826 -5.460 -26.789 1.00 0.00 ATOM 174 CD LYS A 24 13.749 -5.810 -27.803 1.00 0.00 ATOM 175 CE LYS A 24 12.396 -5.262 -27.385 1.00 0.00 ATOM 176 NZ LYS A 24 11.331 -5.596 -28.371 1.00 0.00 ATOM 177 O LYS A 24 18.405 -7.814 -26.483 1.00 0.00 ATOM 178 C LYS A 24 18.486 -6.590 -26.617 1.00 0.00 ATOM 179 N THR A 25 19.586 -5.968 -27.112 1.00 0.00 ATOM 180 CA THR A 25 20.768 -6.738 -27.486 1.00 0.00 ATOM 181 CB THR A 25 21.482 -6.107 -28.696 1.00 0.00 ATOM 182 CG2 THR A 25 20.551 -6.055 -29.897 1.00 0.00 ATOM 183 OG1 THR A 25 21.894 -4.773 -28.369 1.00 0.00 ATOM 184 O THR A 25 22.826 -7.468 -26.488 1.00 0.00 ATOM 185 C THR A 25 21.753 -6.879 -26.327 1.00 0.00 ATOM 186 N GLY A 26 21.414 -6.302 -25.220 1.00 0.00 ATOM 187 CA GLY A 26 22.256 -6.400 -24.038 1.00 0.00 ATOM 188 O GLY A 26 23.862 -5.153 -22.834 1.00 0.00 ATOM 189 C GLY A 26 23.217 -5.239 -23.875 1.00 0.00 ATOM 190 N ARG A 27 23.295 -4.325 -24.834 1.00 0.00 ATOM 191 CA ARG A 27 24.233 -3.205 -24.716 1.00 0.00 ATOM 192 CB ARG A 27 24.807 -2.835 -26.087 1.00 0.00 ATOM 193 CG ARG A 27 25.643 -3.932 -26.725 1.00 0.00 ATOM 194 CD ARG A 27 26.273 -3.461 -28.026 1.00 0.00 ATOM 195 NE ARG A 27 27.000 -4.533 -28.702 1.00 0.00 ATOM 196 CZ ARG A 27 27.595 -4.401 -29.883 1.00 0.00 ATOM 197 NH1 ARG A 27 28.234 -5.431 -30.422 1.00 0.00 ATOM 198 NH2 ARG A 27 27.551 -3.241 -30.523 1.00 0.00 ATOM 199 O ARG A 27 22.461 -1.607 -24.483 1.00 0.00 ATOM 200 C ARG A 27 23.629 -1.893 -24.232 1.00 0.00 ATOM 201 N TYR A 28 24.489 -1.061 -23.564 1.00 0.00 ATOM 202 CA TYR A 28 24.032 0.218 -23.032 1.00 0.00 ATOM 203 CB TYR A 28 24.953 0.642 -21.886 1.00 0.00 ATOM 204 CG TYR A 28 24.837 -0.227 -20.654 1.00 0.00 ATOM 205 CD1 TYR A 28 25.729 -1.268 -20.431 1.00 0.00 ATOM 206 CD2 TYR A 28 23.837 -0.003 -19.718 1.00 0.00 ATOM 207 CE1 TYR A 28 25.631 -2.068 -19.308 1.00 0.00 ATOM 208 CE2 TYR A 28 23.723 -0.791 -18.588 1.00 0.00 ATOM 209 CZ TYR A 28 24.632 -1.830 -18.389 1.00 0.00 ATOM 210 OH TYR A 28 24.531 -2.625 -17.270 1.00 0.00 ATOM 211 O TYR A 28 24.841 1.130 -25.123 1.00 0.00 ATOM 212 C TYR A 28 24.056 1.233 -24.179 1.00 0.00 ATOM 213 N ILE A 29 23.274 2.289 -24.040 1.00 0.00 ATOM 214 CA ILE A 29 23.129 3.416 -24.935 1.00 0.00 ATOM 215 CB ILE A 29 21.730 4.060 -24.922 1.00 0.00 ATOM 216 CG1 ILE A 29 20.663 3.022 -25.278 1.00 0.00 ATOM 217 CG2 ILE A 29 21.655 5.193 -25.934 1.00 0.00 ATOM 218 CD1 ILE A 29 19.245 3.509 -25.070 1.00 0.00 ATOM 219 O ILE A 29 24.191 5.095 -23.595 1.00 0.00 ATOM 220 C ILE A 29 24.165 4.532 -24.683 1.00 0.00 ATOM 221 N VAL A 30 24.970 4.794 -25.678 1.00 0.00 ATOM 222 CA VAL A 30 26.027 5.816 -25.517 1.00 0.00 ATOM 223 CB VAL A 30 27.454 5.186 -25.267 1.00 0.00 ATOM 224 CG1 VAL A 30 27.437 4.242 -24.090 1.00 0.00 ATOM 225 CG2 VAL A 30 27.915 4.433 -26.514 1.00 0.00 ATOM 226 O VAL A 30 25.824 6.301 -27.847 1.00 0.00 ATOM 227 C VAL A 30 26.173 6.709 -26.738 1.00 0.00 ATOM 228 N ARG A 31 26.723 7.910 -26.558 1.00 0.00 ATOM 229 CA ARG A 31 26.926 8.828 -27.675 1.00 0.00 ATOM 230 CB ARG A 31 27.028 10.287 -27.172 1.00 0.00 ATOM 231 CG ARG A 31 25.784 10.847 -26.490 1.00 0.00 ATOM 232 CD ARG A 31 25.926 12.368 -26.293 1.00 0.00 ATOM 233 NE ARG A 31 25.018 12.864 -25.263 1.00 0.00 ATOM 234 CZ ARG A 31 23.708 13.002 -25.426 1.00 0.00 ATOM 235 NH1 ARG A 31 23.146 12.687 -26.590 1.00 0.00 ATOM 236 NH2 ARG A 31 22.954 13.438 -24.417 1.00 0.00 ATOM 237 O ARG A 31 29.218 8.375 -28.180 1.00 0.00 ATOM 238 C ARG A 31 28.070 8.477 -28.618 1.00 0.00 ATOM 239 N PHE A 32 27.762 8.281 -29.838 1.00 0.00 ATOM 240 CA PHE A 32 28.762 8.086 -30.873 1.00 0.00 ATOM 241 CB PHE A 32 29.039 6.581 -30.882 1.00 0.00 ATOM 242 CG PHE A 32 30.164 6.179 -31.794 1.00 0.00 ATOM 243 CD1 PHE A 32 31.482 6.318 -31.394 1.00 0.00 ATOM 244 CD2 PHE A 32 29.903 5.660 -33.051 1.00 0.00 ATOM 245 CE1 PHE A 32 32.516 5.947 -32.232 1.00 0.00 ATOM 246 CE2 PHE A 32 30.939 5.291 -33.889 1.00 0.00 ATOM 247 CZ PHE A 32 32.240 5.432 -33.485 1.00 0.00 ATOM 248 O PHE A 32 27.848 10.231 -31.446 1.00 0.00 ATOM 249 C PHE A 32 28.371 9.190 -31.862 1.00 0.00 ATOM 250 N SER A 33 28.812 8.847 -33.259 1.00 0.00 ATOM 251 CA SER A 33 28.367 9.839 -34.227 1.00 0.00 ATOM 252 CB SER A 33 28.373 9.332 -35.624 1.00 0.00 ATOM 253 OG SER A 33 27.560 8.190 -35.770 1.00 0.00 ATOM 254 O SER A 33 26.681 11.460 -33.805 1.00 0.00 ATOM 255 C SER A 33 26.954 10.269 -33.814 1.00 0.00 ATOM 256 N GLU A 34 26.128 9.324 -33.386 1.00 0.00 ATOM 257 CA GLU A 34 24.772 9.623 -32.944 1.00 0.00 ATOM 258 CB GLU A 34 23.789 9.352 -34.055 1.00 0.00 ATOM 259 CG GLU A 34 24.018 10.495 -35.058 1.00 0.00 ATOM 260 CD GLU A 34 23.129 10.501 -36.268 1.00 0.00 ATOM 261 OE1 GLU A 34 22.202 9.673 -36.387 1.00 0.00 ATOM 262 OE2 GLU A 34 23.269 11.336 -37.195 1.00 0.00 ATOM 263 O GLU A 34 25.447 7.533 -31.975 1.00 0.00 ATOM 264 C GLU A 34 24.635 8.468 -31.959 1.00 0.00 ATOM 265 N ASP A 35 23.555 8.406 -31.079 1.00 0.00 ATOM 266 CA ASP A 35 23.435 7.353 -30.086 1.00 0.00 ATOM 267 CB ASP A 35 22.083 7.549 -29.368 1.00 0.00 ATOM 268 CG ASP A 35 22.004 8.738 -28.429 1.00 0.00 ATOM 269 OD1 ASP A 35 23.005 9.470 -28.256 1.00 0.00 ATOM 270 OD2 ASP A 35 20.921 8.918 -27.845 1.00 0.00 ATOM 271 O ASP A 35 22.932 5.609 -31.678 1.00 0.00 ATOM 272 C ASP A 35 23.569 5.939 -30.666 1.00 0.00 ATOM 273 N SER A 36 24.325 5.113 -29.954 1.00 0.00 ATOM 274 CA SER A 36 24.568 3.727 -30.329 1.00 0.00 ATOM 275 CB SER A 36 26.022 3.735 -30.726 1.00 0.00 ATOM 276 OG SER A 36 26.345 2.496 -31.386 1.00 0.00 ATOM 277 O SER A 36 24.348 3.292 -27.968 1.00 0.00 ATOM 278 C SER A 36 24.404 2.810 -29.099 1.00 0.00 ATOM 279 N PHE A 37 24.060 1.575 -29.386 1.00 0.00 ATOM 280 CA PHE A 37 23.760 0.600 -28.356 1.00 0.00 ATOM 281 CB PHE A 37 22.312 0.341 -28.211 1.00 0.00 ATOM 282 CG PHE A 37 21.440 0.529 -29.442 1.00 0.00 ATOM 283 CD1 PHE A 37 20.774 1.729 -29.655 1.00 0.00 ATOM 284 CD2 PHE A 37 21.281 -0.493 -30.377 1.00 0.00 ATOM 285 CE1 PHE A 37 19.961 1.912 -30.766 1.00 0.00 ATOM 286 CE2 PHE A 37 20.449 -0.328 -31.482 1.00 0.00 ATOM 287 CZ PHE A 37 19.779 0.875 -31.667 1.00 0.00 ATOM 288 O PHE A 37 24.134 -1.773 -28.715 1.00 0.00 ATOM 289 C PHE A 37 24.620 -0.662 -28.504 1.00 0.00 ATOM 290 N GLY A 38 25.815 -0.146 -27.861 1.00 0.00 ATOM 291 CA GLY A 38 27.037 -0.886 -28.119 1.00 0.00 ATOM 292 O GLY A 38 29.198 -1.178 -27.198 1.00 0.00 ATOM 293 C GLY A 38 28.069 -0.781 -27.009 1.00 0.00 ATOM 294 N MET A 39 27.681 -0.228 -25.869 1.00 0.00 ATOM 295 CA MET A 39 28.580 -0.080 -24.734 1.00 0.00 ATOM 296 CB MET A 39 28.351 1.276 -24.075 1.00 0.00 ATOM 297 CG MET A 39 29.287 1.588 -22.917 1.00 0.00 ATOM 298 SD MET A 39 31.017 1.660 -23.418 1.00 0.00 ATOM 299 CE MET A 39 31.739 0.747 -22.182 1.00 0.00 ATOM 300 O MET A 39 27.202 -1.639 -23.567 1.00 0.00 ATOM 301 C MET A 39 28.339 -1.194 -23.734 1.00 0.00 ATOM 302 N ASP A 40 29.420 -1.702 -23.142 1.00 0.00 ATOM 303 CA ASP A 40 29.342 -2.792 -22.172 1.00 0.00 ATOM 304 CB ASP A 40 30.464 -3.805 -22.413 1.00 0.00 ATOM 305 CG ASP A 40 30.352 -4.489 -23.761 1.00 0.00 ATOM 306 OD1 ASP A 40 29.253 -4.990 -24.084 1.00 0.00 ATOM 307 OD2 ASP A 40 31.362 -4.524 -24.495 1.00 0.00 ATOM 308 O ASP A 40 28.799 -2.840 -19.843 1.00 0.00 ATOM 309 C ASP A 40 29.421 -2.278 -20.736 1.00 0.00 ATOM 310 N VAL A 41 30.118 -1.183 -20.523 1.00 0.00 ATOM 311 CA VAL A 41 30.288 -0.651 -19.173 1.00 0.00 ATOM 312 CB VAL A 41 31.746 -0.185 -19.010 1.00 0.00 ATOM 313 CG1 VAL A 41 31.966 0.398 -17.622 1.00 0.00 ATOM 314 CG2 VAL A 41 32.703 -1.353 -19.199 1.00 0.00 ATOM 315 O VAL A 41 29.116 1.419 -19.550 1.00 0.00 ATOM 316 C VAL A 41 29.393 0.513 -18.791 1.00 0.00 ATOM 317 N ALA A 42 28.880 0.451 -17.499 1.00 0.00 ATOM 318 CA ALA A 42 27.917 1.471 -17.071 1.00 0.00 ATOM 319 CB ALA A 42 27.286 1.008 -15.767 1.00 0.00 ATOM 320 O ALA A 42 27.982 3.833 -16.650 1.00 0.00 ATOM 321 C ALA A 42 28.624 2.777 -16.764 1.00 0.00 ATOM 322 N ASP A 43 29.899 2.740 -16.572 1.00 0.00 ATOM 323 CA ASP A 43 30.739 3.861 -16.201 1.00 0.00 ATOM 324 CB ASP A 43 31.934 3.465 -15.333 1.00 0.00 ATOM 325 CG ASP A 43 31.516 2.885 -13.996 1.00 0.00 ATOM 326 OD1 ASP A 43 30.661 3.498 -13.323 1.00 0.00 ATOM 327 OD2 ASP A 43 32.042 1.816 -13.621 1.00 0.00 ATOM 328 O ASP A 43 31.967 5.686 -17.133 1.00 0.00 ATOM 329 C ASP A 43 31.346 4.653 -17.366 1.00 0.00 ATOM 330 N ASP A 44 31.189 4.187 -18.604 1.00 0.00 ATOM 331 CA ASP A 44 31.705 4.927 -19.755 1.00 0.00 ATOM 332 CB ASP A 44 31.820 4.343 -20.964 1.00 0.00 ATOM 333 CG ASP A 44 33.324 4.301 -21.169 1.00 0.00 ATOM 334 OD1 ASP A 44 34.055 5.002 -20.439 1.00 0.00 ATOM 335 OD2 ASP A 44 33.776 3.573 -22.077 1.00 0.00 ATOM 336 O ASP A 44 29.620 6.116 -19.911 1.00 0.00 ATOM 337 C ASP A 44 30.831 6.191 -19.786 1.00 0.00 ATOM 338 N SER A 45 31.488 7.394 -19.551 1.00 0.00 ATOM 339 CA SER A 45 30.751 8.655 -19.465 1.00 0.00 ATOM 340 CB SER A 45 31.707 9.816 -19.187 1.00 0.00 ATOM 341 OG SER A 45 32.608 10.005 -20.265 1.00 0.00 ATOM 342 O SER A 45 28.939 9.707 -20.631 1.00 0.00 ATOM 343 C SER A 45 29.911 8.971 -20.710 1.00 0.00 ATOM 344 N ILE A 46 30.300 8.471 -21.874 1.00 0.00 ATOM 345 CA ILE A 46 29.496 8.711 -23.066 1.00 0.00 ATOM 346 CB ILE A 46 30.239 8.152 -24.294 1.00 0.00 ATOM 347 CG1 ILE A 46 30.329 6.627 -24.214 1.00 0.00 ATOM 348 CG2 ILE A 46 31.650 8.714 -24.365 1.00 0.00 ATOM 349 CD1 ILE A 46 30.876 5.982 -25.470 1.00 0.00 ATOM 350 O ILE A 46 27.203 8.461 -23.842 1.00 0.00 ATOM 351 C ILE A 46 28.083 8.087 -23.051 1.00 0.00 ATOM 352 N THR A 47 27.867 7.197 -22.085 1.00 0.00 ATOM 353 CA THR A 47 26.633 6.434 -21.935 1.00 0.00 ATOM 354 CB THR A 47 26.908 5.014 -21.407 1.00 0.00 ATOM 355 CG2 THR A 47 27.840 4.267 -22.348 1.00 0.00 ATOM 356 OG1 THR A 47 27.520 5.094 -20.113 1.00 0.00 ATOM 357 O THR A 47 24.474 6.857 -21.042 1.00 0.00 ATOM 358 C THR A 47 25.644 7.104 -20.949 1.00 0.00 ATOM 359 N PRO A 48 26.063 7.996 -20.161 1.00 0.00 ATOM 360 CA PRO A 48 25.152 8.722 -19.235 1.00 0.00 ATOM 361 CB PRO A 48 25.688 9.313 -18.212 1.00 0.00 ATOM 362 CG PRO A 48 27.153 9.012 -18.202 1.00 0.00 ATOM 363 CD PRO A 48 27.229 7.645 -18.810 1.00 0.00 ATOM 364 O PRO A 48 24.302 10.149 -20.960 1.00 0.00 ATOM 365 C PRO A 48 24.087 9.579 -19.894 1.00 0.00 ATOM 366 N THR A 49 22.977 9.735 -19.220 1.00 0.00 ATOM 367 CA THR A 49 21.885 10.581 -19.675 1.00 0.00 ATOM 368 CB THR A 49 20.514 9.901 -19.499 1.00 0.00 ATOM 369 CG2 THR A 49 20.494 8.552 -20.202 1.00 0.00 ATOM 370 OG1 THR A 49 20.253 9.701 -18.105 1.00 0.00 ATOM 371 O THR A 49 22.436 11.939 -17.774 1.00 0.00 ATOM 372 C THR A 49 21.840 11.862 -18.844 1.00 0.00 ATOM 373 N SER A 50 21.112 12.856 -19.352 1.00 0.00 ATOM 374 CA SER A 50 21.005 14.136 -18.659 1.00 0.00 ATOM 375 CB SER A 50 20.382 15.195 -19.554 1.00 0.00 ATOM 376 OG SER A 50 19.064 14.846 -19.932 1.00 0.00 ATOM 377 O SER A 50 20.225 14.928 -16.528 1.00 0.00 ATOM 378 C SER A 50 20.220 14.017 -17.354 1.00 0.00 ATOM 379 N GLU A 51 19.461 12.861 -17.117 1.00 0.00 ATOM 380 CA GLU A 51 18.669 12.679 -15.907 1.00 0.00 ATOM 381 CB GLU A 51 17.660 13.279 -15.462 1.00 0.00 ATOM 382 CG GLU A 51 16.483 13.708 -16.349 1.00 0.00 ATOM 383 CD GLU A 51 16.903 14.509 -17.574 1.00 0.00 ATOM 384 OE1 GLU A 51 17.678 15.474 -17.414 1.00 0.00 ATOM 385 OE2 GLU A 51 16.464 14.173 -18.692 1.00 0.00 ATOM 386 O GLU A 51 18.504 10.434 -16.705 1.00 0.00 ATOM 387 C GLU A 51 18.266 11.217 -15.786 1.00 0.00 ATOM 388 N PHE A 52 17.648 10.861 -14.645 1.00 0.00 ATOM 389 CA PHE A 52 17.222 9.480 -14.455 1.00 0.00 ATOM 390 CB PHE A 52 16.613 9.320 -13.055 1.00 0.00 ATOM 391 CG PHE A 52 16.446 7.893 -12.633 1.00 0.00 ATOM 392 CD1 PHE A 52 17.471 7.212 -11.988 1.00 0.00 ATOM 393 CD2 PHE A 52 15.303 7.201 -12.961 1.00 0.00 ATOM 394 CE1 PHE A 52 17.312 5.876 -11.621 1.00 0.00 ATOM 395 CE2 PHE A 52 15.156 5.880 -12.622 1.00 0.00 ATOM 396 CZ PHE A 52 16.162 5.215 -11.948 1.00 0.00 ATOM 397 O PHE A 52 15.324 9.811 -15.892 1.00 0.00 ATOM 398 C PHE A 52 16.285 9.099 -15.598 1.00 0.00 ATOM 399 N VAL A 53 16.567 7.941 -16.294 1.00 0.00 ATOM 400 CA VAL A 53 15.724 7.523 -17.397 1.00 0.00 ATOM 401 CB VAL A 53 16.568 7.163 -18.633 1.00 0.00 ATOM 402 CG1 VAL A 53 15.672 6.700 -19.772 1.00 0.00 ATOM 403 CG2 VAL A 53 17.362 8.370 -19.108 1.00 0.00 ATOM 404 O VAL A 53 15.358 5.119 -17.337 1.00 0.00 ATOM 405 C VAL A 53 14.916 6.255 -17.134 1.00 0.00 ATOM 406 N TRP A 54 13.664 6.397 -16.812 1.00 0.00 ATOM 407 CA TRP A 54 12.803 5.293 -16.384 1.00 0.00 ATOM 408 CB TRP A 54 11.458 5.811 -15.869 1.00 0.00 ATOM 409 CG TRP A 54 11.570 6.636 -14.624 1.00 0.00 ATOM 410 CD1 TRP A 54 11.558 7.998 -14.539 1.00 0.00 ATOM 411 CD2 TRP A 54 11.712 6.150 -13.284 1.00 0.00 ATOM 412 CE2 TRP A 54 11.781 7.276 -12.438 1.00 0.00 ATOM 413 CE3 TRP A 54 11.790 4.876 -12.715 1.00 0.00 ATOM 414 NE1 TRP A 54 11.683 8.394 -13.229 1.00 0.00 ATOM 415 CZ2 TRP A 54 11.921 7.164 -11.055 1.00 0.00 ATOM 416 CZ3 TRP A 54 11.929 4.770 -11.344 1.00 0.00 ATOM 417 CH2 TRP A 54 11.994 5.905 -10.528 1.00 0.00 ATOM 418 O TRP A 54 12.447 3.090 -17.276 1.00 0.00 ATOM 419 C TRP A 54 12.553 4.268 -17.561 1.00 0.00 ATOM 420 N SER A 55 12.466 4.809 -18.733 1.00 0.00 ATOM 421 CA SER A 55 12.157 3.877 -19.912 1.00 0.00 ATOM 422 CB SER A 55 11.850 4.621 -21.170 1.00 0.00 ATOM 423 OG SER A 55 12.924 5.415 -21.620 1.00 0.00 ATOM 424 O SER A 55 13.104 1.779 -20.637 1.00 0.00 ATOM 425 C SER A 55 13.309 2.977 -20.168 1.00 0.00 ATOM 426 N SER A 56 14.515 3.277 -19.887 1.00 0.00 ATOM 427 CA SER A 56 15.708 2.429 -20.170 1.00 0.00 ATOM 428 CB SER A 56 16.977 3.282 -20.208 1.00 0.00 ATOM 429 OG SER A 56 17.264 3.827 -18.932 1.00 0.00 ATOM 430 O SER A 56 16.876 0.617 -19.285 1.00 0.00 ATOM 431 C SER A 56 15.917 1.359 -19.114 1.00 0.00 ATOM 432 N VAL A 57 15.140 1.201 -18.072 1.00 0.00 ATOM 433 CA VAL A 57 15.400 0.219 -17.037 1.00 0.00 ATOM 434 CB VAL A 57 14.522 0.461 -15.795 1.00 0.00 ATOM 435 CG1 VAL A 57 14.770 1.850 -15.228 1.00 0.00 ATOM 436 CG2 VAL A 57 13.049 0.344 -16.155 1.00 0.00 ATOM 437 O VAL A 57 15.881 -2.145 -16.962 1.00 0.00 ATOM 438 C VAL A 57 15.130 -1.241 -17.445 1.00 0.00 ATOM 439 N ARG A 58 14.214 -1.464 -18.333 1.00 0.00 ATOM 440 CA ARG A 58 13.875 -2.870 -18.684 1.00 0.00 ATOM 441 CB ARG A 58 12.950 -3.468 -17.615 1.00 0.00 ATOM 442 CG ARG A 58 12.646 -4.940 -17.820 1.00 0.00 ATOM 443 CD ARG A 58 11.604 -5.432 -16.829 1.00 0.00 ATOM 444 NE ARG A 58 11.036 -6.710 -17.252 1.00 0.00 ATOM 445 CZ ARG A 58 11.591 -7.897 -17.027 1.00 0.00 ATOM 446 NH1 ARG A 58 12.737 -7.990 -16.365 1.00 0.00 ATOM 447 NH2 ARG A 58 11.009 -8.995 -17.492 1.00 0.00 ATOM 448 O ARG A 58 12.271 -2.110 -20.268 1.00 0.00 ATOM 449 C ARG A 58 13.102 -2.961 -19.981 1.00 0.00 ATOM 450 N ASP A 59 13.230 -4.060 -20.705 1.00 0.00 ATOM 451 CA ASP A 59 12.584 -4.238 -22.003 1.00 0.00 ATOM 452 CB ASP A 59 11.064 -4.130 -21.875 1.00 0.00 ATOM 453 CG ASP A 59 10.339 -4.568 -23.133 1.00 0.00 ATOM 454 OD1 ASP A 59 10.983 -5.196 -24.001 1.00 0.00 ATOM 455 OD2 ASP A 59 9.129 -4.285 -23.251 1.00 0.00 ATOM 456 O ASP A 59 14.079 -2.992 -23.323 1.00 0.00 ATOM 457 C ASP A 59 12.932 -3.221 -23.042 1.00 0.00 ATOM 458 N ASP A 60 11.846 -1.967 -23.339 1.00 0.00 ATOM 459 CA ASP A 60 12.044 -0.969 -24.368 1.00 0.00 ATOM 460 CB ASP A 60 10.697 -0.490 -24.915 1.00 0.00 ATOM 461 CG ASP A 60 10.844 0.375 -26.152 1.00 0.00 ATOM 462 OD1 ASP A 60 11.545 1.406 -26.076 1.00 0.00 ATOM 463 OD2 ASP A 60 10.259 0.020 -27.198 1.00 0.00 ATOM 464 O ASP A 60 12.172 0.901 -22.880 1.00 0.00 ATOM 465 C ASP A 60 12.745 0.214 -23.716 1.00 0.00 ATOM 466 N VAL A 61 14.052 0.450 -24.091 1.00 0.00 ATOM 467 CA VAL A 61 14.756 1.622 -23.590 1.00 0.00 ATOM 468 CB VAL A 61 16.149 1.736 -24.236 1.00 0.00 ATOM 469 CG1 VAL A 61 16.943 0.457 -24.018 1.00 0.00 ATOM 470 CG2 VAL A 61 16.024 1.972 -25.734 1.00 0.00 ATOM 471 O VAL A 61 14.161 3.868 -22.965 1.00 0.00 ATOM 472 C VAL A 61 14.054 2.964 -23.797 1.00 0.00 ATOM 473 N MET A 62 13.331 3.090 -24.931 1.00 0.00 ATOM 474 CA MET A 62 12.623 4.324 -25.264 1.00 0.00 ATOM 475 CB MET A 62 12.551 4.514 -26.780 1.00 0.00 ATOM 476 CG MET A 62 13.905 4.698 -27.446 1.00 0.00 ATOM 477 SD MET A 62 14.796 6.136 -26.826 1.00 0.00 ATOM 478 CE MET A 62 13.764 7.466 -27.439 1.00 0.00 ATOM 479 O MET A 62 10.586 5.539 -25.241 1.00 0.00 ATOM 480 C MET A 62 11.195 4.472 -24.812 1.00 0.00 ATOM 481 N ARG A 63 10.677 3.338 -24.081 1.00 0.00 ATOM 482 CA ARG A 63 9.352 3.415 -23.604 1.00 0.00 ATOM 483 CB ARG A 63 8.535 2.254 -24.174 1.00 0.00 ATOM 484 CG ARG A 63 8.051 2.603 -25.578 1.00 0.00 ATOM 485 CD ARG A 63 7.534 1.367 -26.297 1.00 0.00 ATOM 486 NE ARG A 63 6.913 1.720 -27.571 1.00 0.00 ATOM 487 CZ ARG A 63 5.789 1.169 -28.019 1.00 0.00 ATOM 488 NH1 ARG A 63 5.152 0.238 -27.320 1.00 0.00 ATOM 489 NH2 ARG A 63 5.273 1.535 -29.184 1.00 0.00 ATOM 490 O ARG A 63 10.170 2.480 -21.557 1.00 0.00 ATOM 491 C ARG A 63 9.222 3.102 -22.123 1.00 0.00 ATOM 492 N LEU A 64 8.112 3.521 -21.470 1.00 0.00 ATOM 493 CA LEU A 64 7.982 3.247 -20.046 1.00 0.00 ATOM 494 CB LEU A 64 7.330 4.423 -19.318 1.00 0.00 ATOM 495 CG LEU A 64 7.085 4.240 -17.818 1.00 0.00 ATOM 496 CD1 LEU A 64 8.403 4.159 -17.065 1.00 0.00 ATOM 497 CD2 LEU A 64 6.287 5.409 -17.258 1.00 0.00 ATOM 498 O LEU A 64 5.936 2.008 -20.222 1.00 0.00 ATOM 499 C LEU A 64 7.117 2.024 -19.780 1.00 0.00 ATOM 500 N GLY A 65 7.586 1.071 -18.969 1.00 0.00 ATOM 501 CA GLY A 65 6.713 -0.002 -18.521 1.00 0.00 ATOM 502 O GLY A 65 4.412 -0.051 -17.878 1.00 0.00 ATOM 503 C GLY A 65 5.515 0.477 -17.723 1.00 0.00 ATOM 504 N ARG A 66 5.733 1.450 -16.884 1.00 0.00 ATOM 505 CA ARG A 66 4.612 2.049 -16.091 1.00 0.00 ATOM 506 CB ARG A 66 5.137 3.568 -15.663 1.00 0.00 ATOM 507 CG ARG A 66 4.339 4.202 -14.525 1.00 0.00 ATOM 508 CD ARG A 66 4.742 5.599 -14.209 1.00 0.00 ATOM 509 NE ARG A 66 3.753 6.207 -13.321 1.00 0.00 ATOM 510 CZ ARG A 66 3.679 7.508 -13.084 1.00 0.00 ATOM 511 NH1 ARG A 66 2.740 7.985 -12.275 1.00 0.00 ATOM 512 NH2 ARG A 66 4.549 8.326 -13.656 1.00 0.00 ATOM 513 O ARG A 66 2.347 2.469 -16.763 1.00 0.00 ATOM 514 C ARG A 66 3.540 2.625 -17.019 1.00 0.00 ATOM 515 N GLU A 67 3.954 3.286 -18.116 1.00 0.00 ATOM 516 CA GLU A 67 3.014 3.854 -19.079 1.00 0.00 ATOM 517 CB GLU A 67 3.721 4.738 -20.111 1.00 0.00 ATOM 518 CG GLU A 67 2.793 5.182 -21.242 1.00 0.00 ATOM 519 CD GLU A 67 3.292 6.240 -22.200 1.00 0.00 ATOM 520 OE1 GLU A 67 2.521 6.671 -23.123 1.00 0.00 ATOM 521 OE2 GLU A 67 4.474 6.684 -22.114 1.00 0.00 ATOM 522 O GLU A 67 0.979 2.886 -19.914 1.00 0.00 ATOM 523 C GLU A 67 2.185 2.739 -19.718 1.00 0.00 ATOM 524 N GLN A 68 2.841 1.633 -20.060 1.00 0.00 ATOM 525 CA GLN A 68 2.144 0.502 -20.670 1.00 0.00 ATOM 526 CB GLN A 68 3.122 -0.598 -21.088 1.00 0.00 ATOM 527 CG GLN A 68 3.967 -0.250 -22.303 1.00 0.00 ATOM 528 CD GLN A 68 5.000 -1.312 -22.617 1.00 0.00 ATOM 529 OE1 GLN A 68 5.154 -2.282 -21.875 1.00 0.00 ATOM 530 NE2 GLN A 68 5.712 -1.135 -23.723 1.00 0.00 ATOM 531 O GLN A 68 0.037 -0.476 -20.061 1.00 0.00 ATOM 532 C GLN A 68 1.137 -0.112 -19.680 1.00 0.00 ATOM 533 N LEU A 69 1.528 -0.224 -18.389 1.00 0.00 ATOM 534 CA LEU A 69 0.583 -0.733 -17.396 1.00 0.00 ATOM 535 CB LEU A 69 1.269 -0.816 -16.032 1.00 0.00 ATOM 536 CG LEU A 69 2.395 -1.845 -15.900 1.00 0.00 ATOM 537 CD1 LEU A 69 3.104 -1.698 -14.563 1.00 0.00 ATOM 538 CD2 LEU A 69 1.841 -3.259 -15.990 1.00 0.00 ATOM 539 O LEU A 69 -1.756 -0.297 -17.190 1.00 0.00 ATOM 540 C LEU A 69 -0.626 0.174 -17.326 1.00 0.00 ATOM 541 N GLN A 70 -0.398 1.519 -17.399 1.00 0.00 ATOM 542 CA GLN A 70 -1.472 2.495 -17.338 1.00 0.00 ATOM 543 CB GLN A 70 -0.909 3.914 -17.424 1.00 0.00 ATOM 544 CG GLN A 70 -1.964 5.006 -17.352 1.00 0.00 ATOM 545 CD GLN A 70 -1.367 6.398 -17.420 1.00 0.00 ATOM 546 OE1 GLN A 70 -0.160 6.559 -17.609 1.00 0.00 ATOM 547 NE2 GLN A 70 -2.212 7.411 -17.268 1.00 0.00 ATOM 548 O GLN A 70 -3.672 2.228 -18.246 1.00 0.00 ATOM 549 C GLN A 70 -2.410 2.274 -18.497 1.00 0.00 ATOM 550 N ILE A 71 -1.936 2.180 -19.731 1.00 0.00 ATOM 551 CA ILE A 71 -2.830 1.945 -20.862 1.00 0.00 ATOM 552 CB ILE A 71 -2.081 1.924 -22.172 1.00 0.00 ATOM 553 CG1 ILE A 71 -1.666 3.356 -22.525 1.00 0.00 ATOM 554 CG2 ILE A 71 -2.941 1.311 -23.267 1.00 0.00 ATOM 555 CD1 ILE A 71 -0.657 3.425 -23.647 1.00 0.00 ATOM 556 O ILE A 71 -4.746 0.494 -20.753 1.00 0.00 ATOM 557 C ILE A 71 -3.523 0.605 -20.677 1.00 0.00 ATOM 558 N LEU A 72 -2.770 -0.426 -20.254 1.00 0.00 ATOM 559 CA LEU A 72 -3.336 -1.757 -20.036 1.00 0.00 ATOM 560 CB LEU A 72 -2.191 -2.787 -19.916 1.00 0.00 ATOM 561 CG LEU A 72 -1.412 -3.122 -21.228 1.00 0.00 ATOM 562 CD1 LEU A 72 -0.132 -3.919 -20.856 1.00 0.00 ATOM 563 CD2 LEU A 72 -2.259 -3.886 -22.200 1.00 0.00 ATOM 564 O LEU A 72 -5.371 -2.327 -18.893 1.00 0.00 ATOM 565 C LEU A 72 -4.266 -1.778 -18.829 1.00 0.00 ATOM 566 N LEU A 73 -3.853 -1.143 -17.716 1.00 0.00 ATOM 567 CA LEU A 73 -4.665 -1.122 -16.509 1.00 0.00 ATOM 568 CB LEU A 73 -3.863 -0.529 -15.325 1.00 0.00 ATOM 569 CG LEU A 73 -2.776 -1.429 -14.728 1.00 0.00 ATOM 570 CD1 LEU A 73 -1.886 -0.613 -13.778 1.00 0.00 ATOM 571 CD2 LEU A 73 -3.452 -2.586 -13.975 1.00 0.00 ATOM 572 O LEU A 73 -7.022 -0.749 -16.307 1.00 0.00 ATOM 573 C LEU A 73 -5.936 -0.297 -16.703 1.00 0.00 ATOM 574 N GLU A 74 -5.807 0.869 -17.273 1.00 0.00 ATOM 575 CA GLU A 74 -6.965 1.734 -17.448 1.00 0.00 ATOM 576 CB GLU A 74 -6.536 3.046 -18.107 1.00 0.00 ATOM 577 CG GLU A 74 -7.668 4.042 -18.300 1.00 0.00 ATOM 578 CD GLU A 74 -7.195 5.350 -18.903 1.00 0.00 ATOM 579 OE1 GLU A 74 -5.978 5.485 -19.152 1.00 0.00 ATOM 580 OE2 GLU A 74 -8.040 6.242 -19.126 1.00 0.00 ATOM 581 O GLU A 74 -9.199 0.964 -17.970 1.00 0.00 ATOM 582 C GLU A 74 -8.009 1.022 -18.286 1.00 0.00 ATOM 583 N GLN A 75 -7.557 0.359 -19.363 1.00 0.00 ATOM 584 CA GLN A 75 -8.471 -0.261 -20.311 1.00 0.00 ATOM 585 CB GLN A 75 -7.768 -0.484 -21.652 1.00 0.00 ATOM 586 CG GLN A 75 -7.430 0.797 -22.396 1.00 0.00 ATOM 587 CD GLN A 75 -6.686 0.539 -23.692 1.00 0.00 ATOM 588 OE1 GLN A 75 -6.313 -0.596 -23.989 1.00 0.00 ATOM 589 NE2 GLN A 75 -6.467 1.594 -24.468 1.00 0.00 ATOM 590 O GLN A 75 -10.215 -1.823 -19.986 1.00 0.00 ATOM 591 C GLN A 75 -8.984 -1.600 -19.845 1.00 0.00 ATOM 592 N ASN A 76 -8.133 -2.490 -19.354 1.00 0.00 ATOM 593 CA ASN A 76 -8.539 -3.836 -19.057 1.00 0.00 ATOM 594 CB ASN A 76 -7.457 -4.828 -19.484 1.00 0.00 ATOM 595 CG ASN A 76 -7.248 -4.853 -20.986 1.00 0.00 ATOM 596 ND2 ASN A 76 -6.038 -5.201 -21.408 1.00 0.00 ATOM 597 OD1 ASN A 76 -8.165 -4.561 -21.754 1.00 0.00 ATOM 598 O ASN A 76 -9.669 -5.071 -17.345 1.00 0.00 ATOM 599 C ASN A 76 -8.843 -4.205 -17.636 1.00 0.00 ATOM 600 N ILE A 77 -8.136 -3.617 -16.701 1.00 0.00 ATOM 601 CA ILE A 77 -8.215 -3.886 -15.262 1.00 0.00 ATOM 602 CB ILE A 77 -7.014 -4.728 -14.790 1.00 0.00 ATOM 603 CG1 ILE A 77 -5.703 -4.100 -15.268 1.00 0.00 ATOM 604 CG2 ILE A 77 -7.102 -6.141 -15.345 1.00 0.00 ATOM 605 CD1 ILE A 77 -4.470 -4.709 -14.638 1.00 0.00 ATOM 606 O ILE A 77 -7.314 -2.348 -13.643 1.00 0.00 ATOM 607 C ILE A 77 -8.211 -2.601 -14.455 1.00 0.00 ATOM 608 N ASN A 78 -9.198 -1.743 -14.718 1.00 0.00 ATOM 609 CA ASN A 78 -9.312 -0.423 -14.078 1.00 0.00 ATOM 610 CB ASN A 78 -10.592 0.284 -14.533 1.00 0.00 ATOM 611 CG ASN A 78 -10.659 1.724 -14.065 1.00 0.00 ATOM 612 ND2 ASN A 78 -11.649 2.028 -13.233 1.00 0.00 ATOM 613 OD1 ASN A 78 -9.831 2.552 -14.447 1.00 0.00 ATOM 614 O ASN A 78 -8.853 0.583 -11.964 1.00 0.00 ATOM 615 C ASN A 78 -9.359 -0.358 -12.575 1.00 0.00 ATOM 616 N GLU A 79 -9.930 -1.348 -11.926 1.00 0.00 ATOM 617 CA GLU A 79 -9.958 -1.412 -10.469 1.00 0.00 ATOM 618 CB GLU A 79 -10.759 -2.628 -10.001 1.00 0.00 ATOM 619 CG GLU A 79 -12.251 -2.529 -10.271 1.00 0.00 ATOM 620 CD GLU A 79 -13.002 -3.781 -9.860 1.00 0.00 ATOM 621 OE1 GLU A 79 -12.348 -4.742 -9.400 1.00 0.00 ATOM 622 OE2 GLU A 79 -14.243 -3.801 -9.996 1.00 0.00 ATOM 623 O GLU A 79 -8.362 -1.142 -8.698 1.00 0.00 ATOM 624 C GLU A 79 -8.561 -1.505 -9.855 1.00 0.00 ATOM 625 N ARG A 80 -7.603 -1.969 -10.630 1.00 0.00 ATOM 626 CA ARG A 80 -6.233 -2.088 -10.140 1.00 0.00 ATOM 627 CB ARG A 80 -5.497 -3.049 -11.234 1.00 0.00 ATOM 628 CG ARG A 80 -6.092 -4.469 -11.411 1.00 0.00 ATOM 629 CD ARG A 80 -5.628 -5.348 -10.293 1.00 0.00 ATOM 630 NE ARG A 80 -5.960 -6.747 -10.393 1.00 0.00 ATOM 631 CZ ARG A 80 -5.587 -7.890 -10.775 1.00 0.00 ATOM 632 NH1 ARG A 80 -6.387 -8.929 -10.420 1.00 0.00 ATOM 633 NH2 ARG A 80 -4.423 -7.895 -11.531 1.00 0.00 ATOM 634 O ARG A 80 -4.632 -0.698 -9.028 1.00 0.00 ATOM 635 C ARG A 80 -5.609 -0.741 -9.792 1.00 0.00 ATOM 636 N LEU A 81 -6.094 0.334 -10.406 1.00 0.00 ATOM 637 CA LEU A 81 -5.528 1.662 -10.204 1.00 0.00 ATOM 638 CB LEU A 81 -5.585 2.483 -11.493 1.00 0.00 ATOM 639 CG LEU A 81 -4.750 1.964 -12.665 1.00 0.00 ATOM 640 CD1 LEU A 81 -4.979 2.813 -13.906 1.00 0.00 ATOM 641 CD2 LEU A 81 -3.267 2.007 -12.327 1.00 0.00 ATOM 642 O LEU A 81 -5.586 3.453 -8.635 1.00 0.00 ATOM 643 C LEU A 81 -6.180 2.482 -9.104 1.00 0.00 ATOM 644 N ASN A 82 -7.360 2.175 -8.676 1.00 0.00 ATOM 645 CA ASN A 82 -8.032 2.917 -7.608 1.00 0.00 ATOM 646 CB ASN A 82 -9.540 2.950 -7.867 1.00 0.00 ATOM 647 CG ASN A 82 -9.889 3.598 -9.193 1.00 0.00 ATOM 648 ND2 ASN A 82 -10.409 2.801 -10.120 1.00 0.00 ATOM 649 OD1 ASN A 82 -9.691 4.798 -9.380 1.00 0.00 ATOM 650 O ASN A 82 -8.317 2.726 -5.189 1.00 0.00 ATOM 651 C ASN A 82 -7.763 2.353 -6.231 1.00 0.00 ATOM 652 N ILE A 83 -6.750 1.502 -6.234 1.00 0.00 ATOM 653 CA ILE A 83 -6.215 0.823 -5.082 1.00 0.00 ATOM 654 CB ILE A 83 -5.423 -0.434 -5.487 1.00 0.00 ATOM 655 CG1 ILE A 83 -4.213 -0.050 -6.341 1.00 0.00 ATOM 656 CG2 ILE A 83 -6.299 -1.382 -6.289 1.00 0.00 ATOM 657 CD1 ILE A 83 -3.260 -1.195 -6.600 1.00 0.00 ATOM 658 O ILE A 83 -5.137 2.934 -4.591 1.00 0.00 ATOM 659 C ILE A 83 -5.285 1.739 -4.291 1.00 0.00 ATOM 660 N GLY A 84 -4.684 1.085 -3.297 1.00 0.00 ATOM 661 CA GLY A 84 -3.791 1.770 -2.384 1.00 0.00 ATOM 662 O GLY A 84 -2.106 3.339 -2.674 1.00 0.00 ATOM 663 C GLY A 84 -2.579 2.316 -3.092 1.00 0.00 ATOM 664 N GLU A 85 -2.097 1.614 -4.113 1.00 0.00 ATOM 665 CA GLU A 85 -0.897 2.119 -4.822 1.00 0.00 ATOM 666 CB GLU A 85 -0.101 0.957 -5.420 1.00 0.00 ATOM 667 CG GLU A 85 0.430 -0.027 -4.392 1.00 0.00 ATOM 668 CD GLU A 85 1.246 -1.142 -5.017 1.00 0.00 ATOM 669 OE1 GLU A 85 1.355 -1.171 -6.261 1.00 0.00 ATOM 670 OE2 GLU A 85 1.775 -1.985 -4.264 1.00 0.00 ATOM 671 O GLU A 85 -2.136 2.818 -6.760 1.00 0.00 ATOM 672 C GLU A 85 -1.180 3.043 -5.965 1.00 0.00 ATOM 673 N PRO A 86 -0.316 4.012 -6.163 1.00 0.00 ATOM 674 CA PRO A 86 -0.409 4.835 -7.404 1.00 0.00 ATOM 675 CB PRO A 86 0.509 6.035 -7.194 1.00 0.00 ATOM 676 CG PRO A 86 1.416 5.589 -6.040 1.00 0.00 ATOM 677 CD PRO A 86 0.538 4.724 -5.155 1.00 0.00 ATOM 678 O PRO A 86 0.878 2.964 -8.271 1.00 0.00 ATOM 679 C PRO A 86 0.248 3.991 -8.548 1.00 0.00 ATOM 680 N LEU A 87 0.097 4.473 -9.782 1.00 0.00 ATOM 681 CA LEU A 87 0.715 3.732 -10.941 1.00 0.00 ATOM 682 CB LEU A 87 0.346 4.404 -12.265 1.00 0.00 ATOM 683 CG LEU A 87 0.891 3.746 -13.534 1.00 0.00 ATOM 684 CD1 LEU A 87 0.359 2.328 -13.674 1.00 0.00 ATOM 685 CD2 LEU A 87 0.477 4.533 -14.768 1.00 0.00 ATOM 686 O LEU A 87 2.863 2.704 -11.101 1.00 0.00 ATOM 687 C LEU A 87 2.229 3.718 -10.818 1.00 0.00 ATOM 688 N LEU A 88 2.827 4.846 -10.361 1.00 0.00 ATOM 689 CA LEU A 88 4.274 4.891 -10.189 1.00 0.00 ATOM 690 CB LEU A 88 4.685 6.267 -9.662 1.00 0.00 ATOM 691 CG LEU A 88 6.180 6.481 -9.419 1.00 0.00 ATOM 692 CD1 LEU A 88 6.963 6.328 -10.714 1.00 0.00 ATOM 693 CD2 LEU A 88 6.442 7.874 -8.867 1.00 0.00 ATOM 694 O LEU A 88 5.668 3.099 -9.420 1.00 0.00 ATOM 695 C LEU A 88 4.704 3.818 -9.194 1.00 0.00 ATOM 696 N VAL A 89 3.968 3.696 -8.090 1.00 0.00 ATOM 697 CA VAL A 89 4.300 2.702 -7.077 1.00 0.00 ATOM 698 CB VAL A 89 3.430 2.830 -5.813 1.00 0.00 ATOM 699 CG1 VAL A 89 3.681 1.661 -4.873 1.00 0.00 ATOM 700 CG2 VAL A 89 3.753 4.119 -5.073 1.00 0.00 ATOM 701 O VAL A 89 4.975 0.396 -7.276 1.00 0.00 ATOM 702 C VAL A 89 4.139 1.291 -7.534 1.00 0.00 ATOM 703 N TYR A 90 3.038 1.042 -8.238 1.00 0.00 ATOM 704 CA TYR A 90 2.795 -0.295 -8.796 1.00 0.00 ATOM 705 CB TYR A 90 1.449 -0.338 -9.521 1.00 0.00 ATOM 706 CG TYR A 90 1.140 -1.672 -10.163 1.00 0.00 ATOM 707 CD1 TYR A 90 0.660 -2.732 -9.403 1.00 0.00 ATOM 708 CD2 TYR A 90 1.327 -1.868 -11.524 1.00 0.00 ATOM 709 CE1 TYR A 90 0.374 -3.954 -9.980 1.00 0.00 ATOM 710 CE2 TYR A 90 1.047 -3.083 -12.119 1.00 0.00 ATOM 711 CZ TYR A 90 0.568 -4.129 -11.333 1.00 0.00 ATOM 712 OH TYR A 90 0.285 -5.347 -11.911 1.00 0.00 ATOM 713 O TYR A 90 4.429 -1.797 -9.782 1.00 0.00 ATOM 714 C TYR A 90 3.916 -0.662 -9.788 1.00 0.00 ATOM 715 N LEU A 91 4.283 0.295 -10.690 1.00 0.00 ATOM 716 CA LEU A 91 5.353 0.084 -11.667 1.00 0.00 ATOM 717 CB LEU A 91 5.622 1.336 -12.503 1.00 0.00 ATOM 718 CG LEU A 91 6.751 1.237 -13.530 1.00 0.00 ATOM 719 CD1 LEU A 91 6.430 0.186 -14.581 1.00 0.00 ATOM 720 CD2 LEU A 91 6.956 2.568 -14.236 1.00 0.00 ATOM 721 O LEU A 91 7.421 -1.139 -11.360 1.00 0.00 ATOM 722 C LEU A 91 6.669 -0.237 -10.967 1.00 0.00 ATOM 723 N ARG A 92 6.974 0.521 -9.899 1.00 0.00 ATOM 724 CA ARG A 92 8.218 0.308 -9.153 1.00 0.00 ATOM 725 CB ARG A 92 8.361 1.366 -8.056 1.00 0.00 ATOM 726 CG ARG A 92 8.699 2.754 -8.572 1.00 0.00 ATOM 727 CD ARG A 92 8.753 3.767 -7.441 1.00 0.00 ATOM 728 NE ARG A 92 9.050 5.114 -7.924 1.00 0.00 ATOM 729 CZ ARG A 92 9.082 6.195 -7.152 1.00 0.00 ATOM 730 NH1 ARG A 92 9.362 7.378 -7.679 1.00 0.00 ATOM 731 NH2 ARG A 92 8.835 6.089 -5.853 1.00 0.00 ATOM 732 O ARG A 92 9.261 -1.753 -8.562 1.00 0.00 ATOM 733 C ARG A 92 8.235 -1.074 -8.528 1.00 0.00 ATOM 734 N ARG A 93 7.100 -1.485 -7.989 1.00 0.00 ATOM 735 CA ARG A 93 7.025 -2.805 -7.382 1.00 0.00 ATOM 736 CB ARG A 93 5.642 -3.087 -6.849 1.00 0.00 ATOM 737 CG ARG A 93 5.525 -4.378 -6.061 1.00 0.00 ATOM 738 CD ARG A 93 4.138 -4.499 -5.453 1.00 0.00 ATOM 739 NE ARG A 93 3.949 -5.761 -4.746 1.00 0.00 ATOM 740 CZ ARG A 93 3.372 -6.838 -5.271 1.00 0.00 ATOM 741 NH1 ARG A 93 2.917 -6.817 -6.520 1.00 0.00 ATOM 742 NH2 ARG A 93 3.246 -7.940 -4.545 1.00 0.00 ATOM 743 O ARG A 93 7.951 -4.898 -8.114 1.00 0.00 ATOM 744 C ARG A 93 7.228 -3.934 -8.385 1.00 0.00 ATOM 745 N GLN A 94 6.583 -3.823 -9.535 1.00 0.00 ATOM 746 CA GLN A 94 6.716 -4.854 -10.548 1.00 0.00 ATOM 747 CB GLN A 94 5.758 -4.679 -11.728 1.00 0.00 ATOM 748 CG GLN A 94 5.816 -5.806 -12.747 1.00 0.00 ATOM 749 CD GLN A 94 5.385 -7.139 -12.167 1.00 0.00 ATOM 750 OE1 GLN A 94 4.368 -7.226 -11.478 1.00 0.00 ATOM 751 NE2 GLN A 94 6.157 -8.181 -12.447 1.00 0.00 ATOM 752 O GLN A 94 8.834 -5.918 -11.187 1.00 0.00 ATOM 753 C GLN A 94 8.153 -4.904 -11.040 1.00 0.00 ATOM 754 N ASP A 95 8.830 -3.665 -11.536 1.00 0.00 ATOM 755 CA ASP A 95 10.163 -3.669 -12.119 1.00 0.00 ATOM 756 CB ASP A 95 10.422 -2.469 -12.867 1.00 0.00 ATOM 757 CG ASP A 95 11.537 -2.690 -13.877 1.00 0.00 ATOM 758 OD1 ASP A 95 12.219 -3.726 -13.865 1.00 0.00 ATOM 759 OD2 ASP A 95 11.670 -1.745 -14.716 1.00 0.00 ATOM 760 O ASP A 95 11.804 -2.973 -10.478 1.00 0.00 ATOM 761 C ASP A 95 11.207 -3.921 -11.016 1.00 0.00 ATOM 762 N LEU A 96 11.482 -5.168 -10.722 1.00 0.00 ATOM 763 CA LEU A 96 12.423 -5.545 -9.681 1.00 0.00 ATOM 764 CB LEU A 96 12.464 -7.065 -9.520 1.00 0.00 ATOM 765 CG LEU A 96 13.439 -7.610 -8.472 1.00 0.00 ATOM 766 CD1 LEU A 96 13.076 -7.104 -7.087 1.00 0.00 ATOM 767 CD2 LEU A 96 13.407 -9.131 -8.449 1.00 0.00 ATOM 768 O LEU A 96 14.511 -4.457 -9.174 1.00 0.00 ATOM 769 C LEU A 96 13.844 -5.069 -10.017 1.00 0.00 ATOM 770 N PRO A 97 14.263 -5.280 -11.264 1.00 0.00 ATOM 771 CA PRO A 97 15.600 -4.852 -11.689 1.00 0.00 ATOM 772 CB PRO A 97 15.774 -5.495 -13.066 1.00 0.00 ATOM 773 CG PRO A 97 14.383 -5.780 -13.524 1.00 0.00 ATOM 774 CD PRO A 97 13.586 -6.066 -12.282 1.00 0.00 ATOM 775 O PRO A 97 16.778 -2.794 -11.413 1.00 0.00 ATOM 776 C PRO A 97 15.748 -3.335 -11.788 1.00 0.00 ATOM 777 N GLU A 98 14.635 -2.612 -12.216 1.00 0.00 ATOM 778 CA GLU A 98 14.580 -1.160 -12.204 1.00 0.00 ATOM 779 CB GLU A 98 13.231 -0.670 -12.732 1.00 0.00 ATOM 780 CG GLU A 98 13.108 0.842 -12.814 1.00 0.00 ATOM 781 CD GLU A 98 11.781 1.290 -13.395 1.00 0.00 ATOM 782 OE1 GLU A 98 10.965 0.415 -13.752 1.00 0.00 ATOM 783 OE2 GLU A 98 11.559 2.515 -13.493 1.00 0.00 ATOM 784 O GLU A 98 15.455 0.408 -10.611 1.00 0.00 ATOM 785 C GLU A 98 14.759 -0.591 -10.797 1.00 0.00 ATOM 786 N ILE A 99 14.144 -1.229 -9.790 1.00 0.00 ATOM 787 CA ILE A 99 14.258 -0.774 -8.404 1.00 0.00 ATOM 788 CB ILE A 99 13.349 -1.566 -7.445 1.00 0.00 ATOM 789 CG1 ILE A 99 11.877 -1.322 -7.783 1.00 0.00 ATOM 790 CG2 ILE A 99 13.592 -1.138 -6.006 1.00 0.00 ATOM 791 CD1 ILE A 99 11.450 0.122 -7.648 1.00 0.00 ATOM 792 O ILE A 99 16.253 0.034 -7.291 1.00 0.00 ATOM 793 C ILE A 99 15.698 -0.908 -7.876 1.00 0.00 ATOM 794 N THR A 100 16.321 -2.061 -8.147 1.00 0.00 ATOM 795 CA THR A 100 17.714 -2.289 -7.756 1.00 0.00 ATOM 796 CB THR A 100 18.187 -3.700 -8.151 1.00 0.00 ATOM 797 CG2 THR A 100 19.643 -3.904 -7.758 1.00 0.00 ATOM 798 OG1 THR A 100 17.386 -4.681 -7.481 1.00 0.00 ATOM 799 O THR A 100 19.531 -0.737 -7.819 1.00 0.00 ATOM 800 C THR A 100 18.633 -1.269 -8.437 1.00 0.00 ATOM 801 N ALA A 101 18.409 -1.060 -9.723 1.00 0.00 ATOM 802 CA ALA A 101 19.261 -0.141 -10.483 1.00 0.00 ATOM 803 CB ALA A 101 18.804 -0.069 -11.931 1.00 0.00 ATOM 804 O ALA A 101 20.218 1.936 -9.740 1.00 0.00 ATOM 805 C ALA A 101 19.196 1.273 -9.916 1.00 0.00 ATOM 806 N GLN A 102 17.982 1.745 -9.649 1.00 0.00 ATOM 807 CA GLN A 102 17.775 3.082 -9.112 1.00 0.00 ATOM 808 CB GLN A 102 16.277 3.330 -8.921 1.00 0.00 ATOM 809 CG GLN A 102 15.937 4.735 -8.453 1.00 0.00 ATOM 810 CD GLN A 102 14.443 4.959 -8.324 1.00 0.00 ATOM 811 OE1 GLN A 102 13.648 4.041 -8.518 1.00 0.00 ATOM 812 NE2 GLN A 102 14.057 6.187 -7.995 1.00 0.00 ATOM 813 O GLN A 102 19.039 4.348 -7.503 1.00 0.00 ATOM 814 C GLN A 102 18.471 3.284 -7.764 1.00 0.00 ATOM 815 N ARG A 103 18.428 2.239 -6.930 1.00 0.00 ATOM 816 CA ARG A 103 19.116 2.341 -5.619 1.00 0.00 ATOM 817 CB ARG A 103 18.868 1.083 -4.785 1.00 0.00 ATOM 818 CG ARG A 103 17.446 0.952 -4.267 1.00 0.00 ATOM 819 CD ARG A 103 17.247 -0.359 -3.521 1.00 0.00 ATOM 820 NE ARG A 103 15.879 -0.511 -3.035 1.00 0.00 ATOM 821 CZ ARG A 103 15.411 -1.608 -2.450 1.00 0.00 ATOM 822 NH1 ARG A 103 14.152 -1.656 -2.039 1.00 0.00 ATOM 823 NH2 ARG A 103 16.206 -2.655 -2.274 1.00 0.00 ATOM 824 O ARG A 103 21.234 3.223 -4.952 1.00 0.00 ATOM 825 C ARG A 103 20.611 2.516 -5.770 1.00 0.00 ATOM 826 N GLN A 104 21.201 1.878 -6.763 1.00 0.00 ATOM 827 CA GLN A 104 22.633 2.077 -7.062 1.00 0.00 ATOM 828 CB GLN A 104 23.126 1.160 -8.172 1.00 0.00 ATOM 829 CG GLN A 104 23.175 -0.285 -7.739 1.00 0.00 ATOM 830 CD GLN A 104 23.120 -1.245 -8.914 1.00 0.00 ATOM 831 OE1 GLN A 104 23.197 -0.835 -10.074 1.00 0.00 ATOM 832 NE2 GLN A 104 22.970 -2.525 -8.620 1.00 0.00 ATOM 833 O GLN A 104 23.914 4.102 -7.025 1.00 0.00 ATOM 834 C GLN A 104 22.913 3.526 -7.448 1.00 0.00 ATOM 835 N LEU A 105 22.055 4.138 -8.285 1.00 0.00 ATOM 836 CA LEU A 105 22.298 5.545 -8.628 1.00 0.00 ATOM 837 CB LEU A 105 21.388 5.956 -9.782 1.00 0.00 ATOM 838 CG LEU A 105 21.609 5.208 -11.102 1.00 0.00 ATOM 839 CD1 LEU A 105 20.632 5.767 -12.156 1.00 0.00 ATOM 840 CD2 LEU A 105 23.076 5.352 -11.565 1.00 0.00 ATOM 841 O LEU A 105 22.893 7.404 -7.182 1.00 0.00 ATOM 842 C LEU A 105 22.128 6.450 -7.393 1.00 0.00 ATOM 843 N ARG A 106 21.192 6.100 -6.511 1.00 0.00 ATOM 844 CA ARG A 106 20.974 6.909 -5.299 1.00 0.00 ATOM 845 CB ARG A 106 19.787 6.437 -4.478 1.00 0.00 ATOM 846 CG ARG A 106 18.462 6.769 -5.212 1.00 0.00 ATOM 847 CD ARG A 106 17.294 6.309 -4.304 1.00 0.00 ATOM 848 NE ARG A 106 16.015 6.486 -5.034 1.00 0.00 ATOM 849 CZ ARG A 106 14.824 6.067 -4.569 1.00 0.00 ATOM 850 NH1 ARG A 106 14.726 5.462 -3.379 1.00 0.00 ATOM 851 NH2 ARG A 106 13.695 6.274 -5.296 1.00 0.00 ATOM 852 O ARG A 106 22.659 7.765 -3.882 1.00 0.00 ATOM 853 C ARG A 106 22.213 6.779 -4.432 1.00 0.00 ENDMDL EXPDTA 2hg6A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hg6A ATOM 1 N MET 1 2.607 0.899 0.493 1.00 0.00 ATOM 2 CA MET 1 2.397 0.595 -0.943 1.00 0.00 ATOM 3 CB MET 1 2.105 -0.900 -1.151 1.00 0.00 ATOM 4 CG MET 1 0.770 -1.371 -0.590 1.00 0.00 ATOM 5 SD MET 1 0.701 -1.338 1.211 1.00 0.00 ATOM 6 CE MET 1 -0.950 -1.977 1.484 1.00 0.00 ATOM 7 O MET 1 0.724 1.133 -2.582 1.00 0.00 ATOM 8 C MET 1 1.261 1.439 -1.519 1.00 0.00 ATOM 9 N SER 2 0.903 2.509 -0.822 1.00 0.00 ATOM 10 CA SER 2 -0.127 3.419 -1.299 1.00 0.00 ATOM 11 CB SER 2 -0.964 3.928 -0.125 1.00 0.00 ATOM 12 OG SER 2 -1.502 2.845 0.618 1.00 0.00 ATOM 13 O SER 2 1.728 4.792 -1.949 1.00 0.00 ATOM 14 C SER 2 0.515 4.587 -2.041 1.00 0.00 ATOM 15 N ILE 3 -0.290 5.352 -2.766 1.00 0.00 ATOM 16 CA ILE 3 0.225 6.466 -3.551 1.00 0.00 ATOM 17 CB ILE 3 -0.831 6.999 -4.546 1.00 0.00 ATOM 18 CG1 ILE 3 -1.401 5.854 -5.394 1.00 0.00 ATOM 19 CG2 ILE 3 -0.227 8.071 -5.442 1.00 0.00 ATOM 20 CD1 ILE 3 -0.365 5.129 -6.226 1.00 0.00 ATOM 21 O ILE 3 -0.001 7.930 -1.659 1.00 0.00 ATOM 22 C ILE 3 0.680 7.594 -2.631 1.00 0.00 ATOM 23 N THR 4 1.831 8.167 -2.938 1.00 0.00 ATOM 24 CA THR 4 2.428 9.189 -2.099 1.00 0.00 ATOM 25 CB THR 4 3.958 9.060 -2.121 1.00 0.00 ATOM 26 CG2 THR 4 4.398 7.765 -1.454 1.00 0.00 ATOM 27 OG1 THR 4 4.424 9.085 -3.477 1.00 0.00 ATOM 28 O THR 4 1.285 10.762 -3.516 1.00 0.00 ATOM 29 C THR 4 2.028 10.593 -2.547 1.00 0.00 ATOM 30 N SER 5 2.531 11.590 -1.833 1.00 0.00 ATOM 31 CA SER 5 2.267 12.988 -2.141 1.00 0.00 ATOM 32 CB SER 5 2.458 13.825 -0.878 1.00 0.00 ATOM 33 OG SER 5 1.687 13.306 0.194 1.00 0.00 ATOM 34 O SER 5 3.887 12.686 -3.893 1.00 0.00 ATOM 35 C SER 5 3.187 13.483 -3.262 1.00 0.00 ATOM 36 N THR 6 3.175 14.799 -3.500 1.00 0.00 ATOM 37 CA THR 6 3.977 15.436 -4.553 1.00 0.00 ATOM 38 CB THR 6 3.857 16.974 -4.469 1.00 0.00 ATOM 39 CG2 THR 6 4.542 17.654 -5.649 1.00 0.00 ATOM 40 OG1 THR 6 2.474 17.347 -4.442 1.00 0.00 ATOM 41 O THR 6 6.173 15.088 -5.484 1.00 0.00 ATOM 42 C THR 6 5.457 15.038 -4.479 1.00 0.00 ATOM 43 N ASP 7 5.903 14.628 -3.291 1.00 0.00 ATOM 44 CA ASP 7 7.271 14.138 -3.086 1.00 0.00 ATOM 45 CB ASP 7 7.454 13.624 -1.655 1.00 0.00 ATOM 46 CG ASP 7 7.549 14.744 -0.639 1.00 0.00 ATOM 47 OD1 ASP 7 6.539 15.035 0.035 1.00 0.00 ATOM 48 OD2 ASP 7 8.641 15.335 -0.505 1.00 0.00 ATOM 49 O ASP 7 8.809 12.760 -4.314 1.00 0.00 ATOM 50 C ASP 7 7.632 13.032 -4.081 1.00 0.00 ATOM 51 N ILE 8 6.612 12.399 -4.660 1.00 0.00 ATOM 52 CA ILE 8 6.802 11.386 -5.695 1.00 0.00 ATOM 53 CB ILE 8 5.436 10.899 -6.249 1.00 0.00 ATOM 54 CG1 ILE 8 5.625 9.768 -7.261 1.00 0.00 ATOM 55 CG2 ILE 8 4.660 12.051 -6.878 1.00 0.00 ATOM 56 CD1 ILE 8 4.322 9.153 -7.727 1.00 0.00 ATOM 57 O ILE 8 8.461 11.182 -7.430 1.00 0.00 ATOM 58 C ILE 8 7.676 11.922 -6.840 1.00 0.00 ATOM 59 N CYS 9 7.546 13.217 -7.126 1.00 0.00 ATOM 60 CA CYS 9 8.331 13.863 -8.174 1.00 0.00 ATOM 61 CB CYS 9 7.830 15.295 -8.394 1.00 0.00 ATOM 62 SG CYS 9 8.796 16.257 -9.586 1.00 0.00 ATOM 63 O CYS 9 10.680 13.674 -8.656 1.00 0.00 ATOM 64 C CYS 9 9.813 13.878 -7.808 1.00 0.00 ATOM 65 N GLN 10 10.094 14.097 -6.531 1.00 0.00 ATOM 66 CA GLN 10 11.466 14.195 -6.051 1.00 0.00 ATOM 67 CB GLN 10 11.500 14.841 -4.666 1.00 0.00 ATOM 68 CG GLN 10 10.873 16.227 -4.616 1.00 0.00 ATOM 69 CD GLN 10 11.605 17.247 -5.472 1.00 0.00 ATOM 70 OE1 GLN 10 12.196 16.919 -6.498 1.00 0.00 ATOM 71 NE2 GLN 10 11.568 18.498 -5.054 1.00 0.00 ATOM 72 O GLN 10 13.325 12.689 -6.241 1.00 0.00 ATOM 73 C GLN 10 12.125 12.824 -6.007 1.00 0.00 ATOM 74 N ALA 11 11.324 11.808 -5.713 1.00 0.00 ATOM 75 CA ALA 11 11.813 10.437 -5.616 1.00 0.00 ATOM 76 CB ALA 11 10.702 9.524 -5.127 1.00 0.00 ATOM 77 O ALA 11 13.081 8.934 -6.996 1.00 0.00 ATOM 78 C ALA 11 12.371 9.937 -6.950 1.00 0.00 ATOM 79 N ALA 12 12.052 10.639 -8.034 1.00 0.00 ATOM 80 CA ALA 12 12.561 10.279 -9.354 1.00 0.00 ATOM 81 CB ALA 12 11.763 10.979 -10.442 1.00 0.00 ATOM 82 O ALA 12 14.730 10.142 -10.381 1.00 0.00 ATOM 83 C ALA 12 14.044 10.619 -9.478 1.00 0.00 ATOM 84 N ASP 13 14.534 11.444 -8.562 1.00 0.00 ATOM 85 CA ASP 13 15.942 11.828 -8.548 1.00 0.00 ATOM 86 CB ASP 13 16.111 13.199 -7.881 1.00 0.00 ATOM 87 CG ASP 13 17.559 13.652 -7.821 1.00 0.00 ATOM 88 OD1 ASP 13 18.039 14.264 -8.799 1.00 0.00 ATOM 89 OD2 ASP 13 18.221 13.407 -6.790 1.00 0.00 ATOM 90 O ASP 13 17.986 10.685 -8.009 1.00 0.00 ATOM 91 C ASP 13 16.774 10.779 -7.817 1.00 0.00 ATOM 92 N ALA 14 16.105 9.971 -6.999 1.00 0.00 ATOM 93 CA ALA 14 16.781 8.962 -6.189 1.00 0.00 ATOM 94 CB ALA 14 15.806 8.342 -5.200 1.00 0.00 ATOM 95 O ALA 14 18.420 7.277 -6.679 1.00 0.00 ATOM 96 C ALA 14 17.416 7.882 -7.059 1.00 0.00 ATOM 97 N LEU 15 16.829 7.652 -8.228 1.00 0.00 ATOM 98 CA LEU 15 17.348 6.666 -9.166 1.00 0.00 ATOM 99 CB LEU 15 16.429 6.534 -10.389 1.00 0.00 ATOM 100 CG LEU 15 15.109 5.780 -10.165 1.00 0.00 ATOM 101 CD1 LEU 15 14.187 6.536 -9.219 1.00 0.00 ATOM 102 CD2 LEU 15 14.416 5.536 -11.496 1.00 0.00 ATOM 103 O LEU 15 18.983 8.188 -10.035 1.00 0.00 ATOM 104 C LEU 15 18.752 7.055 -9.614 1.00 0.00 ATOM 105 N LYS 16 19.684 6.122 -9.513 1.00 0.00 ATOM 106 CA LYS 16 21.071 6.386 -9.863 1.00 0.00 ATOM 107 CB LYS 16 21.924 6.511 -8.599 1.00 0.00 ATOM 108 CG LYS 16 21.819 5.307 -7.679 1.00 0.00 ATOM 109 CD LYS 16 22.824 5.379 -6.545 1.00 0.00 ATOM 110 CE LYS 16 22.618 4.253 -5.547 1.00 0.00 ATOM 111 NZ LYS 16 23.709 4.205 -4.540 1.00 0.00 ATOM 112 O LYS 16 21.241 4.125 -10.646 1.00 0.00 ATOM 113 C LYS 16 21.633 5.287 -10.753 1.00 0.00 ATOM 114 N GLY 17 22.544 5.666 -11.634 1.00 0.00 ATOM 115 CA GLY 17 23.183 4.703 -12.505 1.00 0.00 ATOM 116 O GLY 17 22.335 5.937 -14.368 1.00 0.00 ATOM 117 C GLY 17 23.192 5.154 -13.948 1.00 0.00 ATOM 118 N PHE 18 24.149 4.653 -14.714 1.00 0.00 ATOM 119 CA PHE 18 24.268 5.006 -16.118 1.00 0.00 ATOM 120 CB PHE 18 25.695 5.456 -16.448 1.00 0.00 ATOM 121 CG PHE 18 26.217 6.550 -15.563 1.00 0.00 ATOM 122 CD1 PHE 18 27.034 6.253 -14.484 1.00 0.00 ATOM 123 CD2 PHE 18 25.898 7.873 -15.814 1.00 0.00 ATOM 124 CE1 PHE 18 27.520 7.256 -13.670 1.00 0.00 ATOM 125 CE2 PHE 18 26.381 8.880 -15.003 1.00 0.00 ATOM 126 CZ PHE 18 27.194 8.571 -13.930 1.00 0.00 ATOM 127 O PHE 18 24.591 2.777 -16.917 1.00 0.00 ATOM 128 C PHE 18 23.914 3.801 -16.970 1.00 0.00 ATOM 129 N VAL 19 22.860 3.917 -17.752 1.00 0.00 ATOM 130 CA VAL 19 22.409 2.804 -18.565 1.00 0.00 ATOM 131 CB VAL 19 20.864 2.680 -18.543 1.00 0.00 ATOM 132 CG1 VAL 19 20.195 3.939 -19.074 1.00 0.00 ATOM 133 CG2 VAL 19 20.407 1.453 -19.315 1.00 0.00 ATOM 134 O VAL 19 22.894 4.018 -20.584 1.00 0.00 ATOM 135 C VAL 19 22.935 2.938 -19.994 1.00 0.00 ATOM 136 N GLY 20 23.468 1.842 -20.521 1.00 0.00 ATOM 137 CA GLY 20 24.034 1.841 -21.855 1.00 0.00 ATOM 138 O GLY 20 23.699 -0.527 -21.928 1.00 0.00 ATOM 139 C GLY 20 23.813 0.520 -22.566 1.00 0.00 ATOM 140 N PHE 21 23.746 0.567 -23.888 1.00 0.00 ATOM 141 CA PHE 21 23.485 -0.624 -24.683 1.00 0.00 ATOM 142 CB PHE 21 22.708 -0.247 -25.948 1.00 0.00 ATOM 143 CG PHE 21 22.269 -1.422 -26.780 1.00 0.00 ATOM 144 CD1 PHE 21 23.069 -1.902 -27.806 1.00 0.00 ATOM 145 CD2 PHE 21 21.053 -2.038 -26.540 1.00 0.00 ATOM 146 CE1 PHE 21 22.664 -2.976 -28.574 1.00 0.00 ATOM 147 CE2 PHE 21 20.643 -3.114 -27.305 1.00 0.00 ATOM 148 CZ PHE 21 21.450 -3.583 -28.323 1.00 0.00 ATOM 149 O PHE 21 25.599 -0.768 -25.803 1.00 0.00 ATOM 150 C PHE 21 24.793 -1.312 -25.050 1.00 0.00 ATOM 151 N ASN 22 25.002 -2.507 -24.519 1.00 0.00 ATOM 152 CA ASN 22 26.229 -3.241 -24.787 1.00 0.00 ATOM 153 CB ASN 22 26.702 -4.008 -23.538 1.00 0.00 ATOM 154 CG ASN 22 25.964 -5.306 -23.305 1.00 0.00 ATOM 155 ND2 ASN 22 24.826 -5.245 -22.636 1.00 0.00 ATOM 156 OD1 ASN 22 26.420 -6.363 -23.730 1.00 0.00 ATOM 157 O ASN 22 25.003 -4.887 -26.034 1.00 0.00 ATOM 158 C ASN 22 26.018 -4.193 -25.961 1.00 0.00 ATOM 159 N ARG 23 26.972 -4.214 -26.882 1.00 0.00 ATOM 160 CA ARG 23 26.865 -5.048 -28.076 1.00 0.00 ATOM 161 CB ARG 23 27.703 -4.466 -29.218 1.00 0.00 ATOM 162 CG ARG 23 29.190 -4.393 -28.909 1.00 0.00 ATOM 163 CD ARG 23 29.989 -3.883 -30.099 1.00 0.00 ATOM 164 NE ARG 23 29.963 -4.815 -31.225 1.00 0.00 ATOM 165 CZ ARG 23 30.993 -5.594 -31.568 1.00 0.00 ATOM 166 NH1 ARG 23 32.127 -5.554 -30.872 1.00 0.00 ATOM 167 NH2 ARG 23 30.893 -6.413 -32.606 1.00 0.00 ATOM 168 O ARG 23 27.208 -7.348 -28.659 1.00 0.00 ATOM 169 C ARG 23 27.310 -6.479 -27.795 1.00 0.00 ATOM 170 N LYS 24 27.807 -6.718 -26.589 1.00 0.00 ATOM 171 CA LYS 24 28.293 -8.040 -26.219 1.00 0.00 ATOM 172 CB LYS 24 29.194 -7.954 -24.986 1.00 0.00 ATOM 173 CG LYS 24 29.809 -9.288 -24.593 1.00 0.00 ATOM 174 CD LYS 24 30.802 -9.142 -23.452 1.00 0.00 ATOM 175 CE LYS 24 31.967 -8.239 -23.828 1.00 0.00 ATOM 176 NZ LYS 24 33.024 -8.240 -22.784 1.00 0.00 ATOM 177 O LYS 24 27.116 -10.124 -26.441 1.00 0.00 ATOM 178 C LYS 24 27.127 -8.989 -25.961 1.00 0.00 ATOM 179 N THR 25 26.149 -8.522 -25.199 1.00 0.00 ATOM 180 CA THR 25 24.953 -9.314 -24.935 1.00 0.00 ATOM 181 CB THR 25 24.611 -9.347 -23.433 1.00 0.00 ATOM 182 CG2 THR 25 25.650 -10.139 -22.662 1.00 0.00 ATOM 183 OG1 THR 25 24.543 -8.017 -22.910 1.00 0.00 ATOM 184 O THR 25 22.724 -9.430 -25.820 1.00 0.00 ATOM 185 C THR 25 23.763 -8.777 -25.720 1.00 0.00 ATOM 186 N GLY 26 23.927 -7.582 -26.277 1.00 0.00 ATOM 187 CA GLY 26 22.878 -6.981 -27.074 1.00 0.00 ATOM 188 O GLY 26 20.545 -6.868 -26.590 1.00 0.00 ATOM 189 C GLY 26 21.685 -6.561 -26.243 1.00 0.00 ATOM 190 N ARG 27 21.939 -5.875 -25.136 1.00 0.00 ATOM 191 CA ARG 27 20.858 -5.392 -24.286 1.00 0.00 ATOM 192 CB ARG 27 20.448 -6.465 -23.274 1.00 0.00 ATOM 193 CG ARG 27 21.583 -6.959 -22.396 1.00 0.00 ATOM 194 CD ARG 27 21.186 -8.225 -21.657 1.00 0.00 ATOM 195 NE ARG 27 20.710 -9.252 -22.584 1.00 0.00 ATOM 196 CZ ARG 27 20.692 -10.557 -22.328 1.00 0.00 ATOM 197 NH1 ARG 27 21.132 -11.028 -21.169 1.00 0.00 ATOM 198 NH2 ARG 27 20.229 -11.391 -23.248 1.00 0.00 ATOM 199 O ARG 27 22.425 -3.755 -23.476 1.00 0.00 ATOM 200 C ARG 27 21.243 -4.103 -23.573 1.00 0.00 ATOM 201 N TYR 28 20.229 -3.403 -23.090 1.00 0.00 ATOM 202 CA TYR 28 20.404 -2.134 -22.405 1.00 0.00 ATOM 203 CB TYR 28 19.133 -1.292 -22.589 1.00 0.00 ATOM 204 CG TYR 28 19.355 0.204 -22.608 1.00 0.00 ATOM 205 CD1 TYR 28 18.371 1.076 -22.160 1.00 0.00 ATOM 206 CD2 TYR 28 20.540 0.745 -23.083 1.00 0.00 ATOM 207 CE1 TYR 28 18.565 2.445 -22.184 1.00 0.00 ATOM 208 CE2 TYR 28 20.742 2.111 -23.108 1.00 0.00 ATOM 209 CZ TYR 28 19.753 2.956 -22.660 1.00 0.00 ATOM 210 OH TYR 28 19.959 4.316 -22.678 1.00 0.00 ATOM 211 O TYR 28 19.775 -2.767 -20.179 1.00 0.00 ATOM 212 C TYR 28 20.677 -2.390 -20.925 1.00 0.00 ATOM 213 N ILE 29 21.923 -2.204 -20.509 1.00 0.00 ATOM 214 CA ILE 29 22.335 -2.552 -19.154 1.00 0.00 ATOM 215 CB ILE 29 23.437 -3.642 -19.161 1.00 0.00 ATOM 216 CG1 ILE 29 24.560 -3.310 -20.154 1.00 0.00 ATOM 217 CG2 ILE 29 22.833 -5.000 -19.484 1.00 0.00 ATOM 218 CD1 ILE 29 25.588 -2.334 -19.628 1.00 0.00 ATOM 219 O ILE 29 23.234 -0.338 -18.967 1.00 0.00 ATOM 220 C ILE 29 22.807 -1.328 -18.379 1.00 0.00 ATOM 221 N VAL 30 22.726 -1.396 -17.059 1.00 0.00 ATOM 222 CA VAL 30 23.104 -0.269 -16.217 1.00 0.00 ATOM 223 CB VAL 30 22.047 0.005 -15.129 1.00 0.00 ATOM 224 CG1 VAL 30 22.442 1.221 -14.302 1.00 0.00 ATOM 225 CG2 VAL 30 20.673 0.196 -15.752 1.00 0.00 ATOM 226 O VAL 30 24.676 -1.543 -14.925 1.00 0.00 ATOM 227 C VAL 30 24.450 -0.503 -15.543 1.00 0.00 ATOM 228 N ARG 31 25.337 0.471 -15.671 1.00 0.00 ATOM 229 CA ARG 31 26.634 0.435 -15.013 1.00 0.00 ATOM 230 CB ARG 31 27.763 0.261 -16.036 1.00 0.00 ATOM 231 CG ARG 31 27.717 -1.067 -16.774 1.00 0.00 ATOM 232 CD ARG 31 27.707 -2.240 -15.808 1.00 0.00 ATOM 233 NE ARG 31 27.642 -3.524 -16.502 1.00 0.00 ATOM 234 CZ ARG 31 26.580 -4.327 -16.486 1.00 0.00 ATOM 235 NH1 ARG 31 25.475 -3.962 -15.848 1.00 0.00 ATOM 236 NH2 ARG 31 26.626 -5.494 -17.116 1.00 0.00 ATOM 237 O ARG 31 26.061 2.662 -14.332 1.00 0.00 ATOM 238 C ARG 31 26.839 1.716 -14.211 1.00 0.00 ATOM 239 N PHE 32 27.872 1.746 -13.386 1.00 0.00 ATOM 240 CA PHE 32 28.157 2.919 -12.571 1.00 0.00 ATOM 241 CB PHE 32 28.194 2.547 -11.087 1.00 0.00 ATOM 242 CG PHE 32 26.871 2.059 -10.564 1.00 0.00 ATOM 243 CD1 PHE 32 25.887 2.959 -10.186 1.00 0.00 ATOM 244 CD2 PHE 32 26.609 0.701 -10.455 1.00 0.00 ATOM 245 CE1 PHE 32 24.667 2.515 -9.709 1.00 0.00 ATOM 246 CE2 PHE 32 25.392 0.252 -9.978 1.00 0.00 ATOM 247 CZ PHE 32 24.420 1.161 -9.606 1.00 0.00 ATOM 248 O PHE 32 29.906 4.559 -12.431 1.00 0.00 ATOM 249 C PHE 32 29.471 3.556 -12.997 1.00 0.00 ATOM 250 N SER 33 30.096 2.964 -14.001 1.00 0.00 ATOM 251 CA SER 33 31.333 3.489 -14.549 1.00 0.00 ATOM 252 CB SER 33 32.467 2.484 -14.345 1.00 0.00 ATOM 253 OG SER 33 32.720 2.267 -12.966 1.00 0.00 ATOM 254 O SER 33 31.003 2.893 -16.848 1.00 0.00 ATOM 255 C SER 33 31.168 3.799 -16.032 1.00 0.00 ATOM 256 N GLU 34 31.204 5.080 -16.374 1.00 0.00 ATOM 257 CA GLU 34 31.078 5.507 -17.765 1.00 0.00 ATOM 258 CB GLU 34 30.878 7.022 -17.842 1.00 0.00 ATOM 259 CG GLU 34 29.671 7.525 -17.067 1.00 0.00 ATOM 260 CD GLU 34 29.515 9.029 -17.155 1.00 0.00 ATOM 261 OE1 GLU 34 30.302 9.752 -16.508 1.00 0.00 ATOM 262 OE2 GLU 34 28.608 9.500 -17.871 1.00 0.00 ATOM 263 O GLU 34 32.282 4.959 -19.774 1.00 0.00 ATOM 264 C GLU 34 32.322 5.113 -18.555 1.00 0.00 ATOM 265 N ASP 35 33.417 4.929 -17.833 1.00 0.00 ATOM 266 CA ASP 35 34.716 4.632 -18.430 1.00 0.00 ATOM 267 CB ASP 35 35.828 5.016 -17.452 1.00 0.00 ATOM 268 CG ASP 35 35.760 4.218 -16.160 1.00 0.00 ATOM 269 OD1 ASP 35 36.572 3.287 -15.983 1.00 0.00 ATOM 270 OD2 ASP 35 34.886 4.514 -15.316 1.00 0.00 ATOM 271 O ASP 35 35.874 2.734 -19.334 1.00 0.00 ATOM 272 C ASP 35 34.850 3.156 -18.794 1.00 0.00 ATOM 273 N SER 36 33.814 2.375 -18.521 1.00 0.00 ATOM 274 CA SER 36 33.883 0.934 -18.716 1.00 0.00 ATOM 275 CB SER 36 32.815 0.237 -17.874 1.00 0.00 ATOM 276 OG SER 36 31.519 0.700 -18.209 1.00 0.00 ATOM 277 O SER 36 34.160 -0.503 -20.624 1.00 0.00 ATOM 278 C SER 36 33.714 0.562 -20.186 1.00 0.00 ATOM 279 N PHE 37 33.082 1.445 -20.948 1.00 0.00 ATOM 280 CA PHE 37 32.775 1.163 -22.342 1.00 0.00 ATOM 281 CB PHE 37 31.306 1.474 -22.634 1.00 0.00 ATOM 282 CG PHE 37 30.349 0.704 -21.770 1.00 0.00 ATOM 283 CD1 PHE 37 30.285 -0.678 -21.847 1.00 0.00 ATOM 284 CD2 PHE 37 29.512 1.362 -20.884 1.00 0.00 ATOM 285 CE1 PHE 37 29.406 -1.389 -21.055 1.00 0.00 ATOM 286 CE2 PHE 37 28.631 0.655 -20.089 1.00 0.00 ATOM 287 CZ PHE 37 28.578 -0.722 -20.175 1.00 0.00 ATOM 288 O PHE 37 33.824 3.175 -23.121 1.00 0.00 ATOM 289 C PHE 37 33.671 1.963 -23.276 1.00 0.00 ATOM 290 N GLY 38 34.265 1.272 -24.239 1.00 0.00 ATOM 291 CA GLY 38 35.096 1.930 -25.224 1.00 0.00 ATOM 292 O GLY 38 33.428 2.994 -26.562 1.00 0.00 ATOM 293 C GLY 38 34.351 2.183 -26.518 1.00 0.00 ATOM 294 N MET 39 34.719 1.456 -27.562 1.00 0.00 ATOM 295 CA MET 39 34.133 1.662 -28.882 1.00 0.00 ATOM 296 CB MET 39 35.195 1.480 -29.972 1.00 0.00 ATOM 297 CG MET 39 35.707 0.053 -30.095 1.00 0.00 ATOM 298 SD MET 39 36.947 -0.135 -31.389 1.00 0.00 ATOM 299 CE MET 39 37.234 -1.901 -31.318 1.00 0.00 ATOM 300 O MET 39 32.312 0.744 -30.151 1.00 0.00 ATOM 301 C MET 39 32.980 0.693 -29.119 1.00 0.00 ATOM 302 N ASP 40 32.753 -0.195 -28.160 1.00 0.00 ATOM 303 CA ASP 40 31.705 -1.204 -28.282 1.00 0.00 ATOM 304 CB ASP 40 31.989 -2.397 -27.367 1.00 0.00 ATOM 305 CG ASP 40 33.113 -3.274 -27.877 1.00 0.00 ATOM 306 OD1 ASP 40 32.856 -4.128 -28.748 1.00 0.00 ATOM 307 OD2 ASP 40 34.253 -3.128 -27.392 1.00 0.00 ATOM 308 O ASP 40 29.307 -1.251 -28.229 1.00 0.00 ATOM 309 C ASP 40 30.333 -0.629 -27.955 1.00 0.00 ATOM 310 N VAL 41 30.314 0.553 -27.362 1.00 0.00 ATOM 311 CA VAL 41 29.064 1.193 -26.978 1.00 0.00 ATOM 312 CB VAL 41 28.813 1.084 -25.453 1.00 0.00 ATOM 313 CG1 VAL 41 27.524 1.792 -25.056 1.00 0.00 ATOM 314 CG2 VAL 41 28.775 -0.372 -25.013 1.00 0.00 ATOM 315 O VAL 41 30.052 3.367 -27.128 1.00 0.00 ATOM 316 C VAL 41 29.078 2.659 -27.382 1.00 0.00 ATOM 317 N ALA 42 28.007 3.104 -28.027 1.00 0.00 ATOM 318 CA ALA 42 27.865 4.506 -28.384 1.00 0.00 ATOM 319 CB ALA 42 26.723 4.693 -29.373 1.00 0.00 ATOM 320 O ALA 42 26.716 5.036 -26.349 1.00 0.00 ATOM 321 C ALA 42 27.626 5.331 -27.128 1.00 0.00 ATOM 322 N ASP 43 28.436 6.362 -26.932 1.00 0.00 ATOM 323 CA ASP 43 28.371 7.164 -25.712 1.00 0.00 ATOM 324 CB ASP 43 29.547 8.139 -25.656 1.00 0.00 ATOM 325 CG ASP 43 29.707 8.776 -24.290 1.00 0.00 ATOM 326 OD1 ASP 43 29.653 8.043 -23.278 1.00 0.00 ATOM 327 OD2 ASP 43 29.918 10.004 -24.224 1.00 0.00 ATOM 328 O ASP 43 26.590 8.267 -24.534 1.00 0.00 ATOM 329 C ASP 43 27.049 7.920 -25.622 1.00 0.00 ATOM 330 N ASP 44 26.426 8.143 -26.773 1.00 0.00 ATOM 331 CA ASP 44 25.120 8.798 -26.832 1.00 0.00 ATOM 332 CB ASP 44 24.747 9.149 -28.277 1.00 0.00 ATOM 333 CG ASP 44 25.590 10.265 -28.857 1.00 0.00 ATOM 334 OD1 ASP 44 25.214 11.444 -28.697 1.00 0.00 ATOM 335 OD2 ASP 44 26.618 9.967 -29.501 1.00 0.00 ATOM 336 O ASP 44 22.987 8.384 -25.813 1.00 0.00 ATOM 337 C ASP 44 24.036 7.904 -26.240 1.00 0.00 ATOM 338 N SER 45 24.295 6.603 -26.213 1.00 0.00 ATOM 339 CA SER 45 23.331 5.645 -25.693 1.00 0.00 ATOM 340 CB SER 45 23.450 4.317 -26.441 1.00 0.00 ATOM 341 OG SER 45 23.187 4.487 -27.827 1.00 0.00 ATOM 342 O SER 45 22.765 4.697 -23.564 1.00 0.00 ATOM 343 C SER 45 23.528 5.426 -24.196 1.00 0.00 ATOM 344 N ILE 46 24.558 6.051 -23.637 1.00 0.00 ATOM 345 CA ILE 46 24.800 5.987 -22.204 1.00 0.00 ATOM 346 CB ILE 46 26.308 5.946 -21.871 1.00 0.00 ATOM 347 CG1 ILE 46 26.967 4.738 -22.543 1.00 0.00 ATOM 348 CG2 ILE 46 26.520 5.901 -20.360 1.00 0.00 ATOM 349 CD1 ILE 46 28.459 4.639 -22.293 1.00 0.00 ATOM 350 O ILE 46 24.531 8.337 -21.807 1.00 0.00 ATOM 351 C ILE 46 24.164 7.195 -21.530 1.00 0.00 ATOM 352 N THR 47 23.191 6.943 -20.675 1.00 0.00 ATOM 353 CA THR 47 22.450 8.012 -20.033 1.00 0.00 ATOM 354 CB THR 47 21.133 8.281 -20.793 1.00 0.00 ATOM 355 CG2 THR 47 20.405 9.498 -20.238 1.00 0.00 ATOM 356 OG1 THR 47 21.415 8.486 -22.182 1.00 0.00 ATOM 357 O THR 47 21.750 6.533 -18.277 1.00 0.00 ATOM 358 C THR 47 22.140 7.662 -18.581 1.00 0.00 ATOM 359 N PRO 48 22.348 8.612 -17.661 1.00 0.00 ATOM 360 CA PRO 48 21.943 8.454 -16.266 1.00 0.00 ATOM 361 CB PRO 48 22.323 9.789 -15.615 1.00 0.00 ATOM 362 CG PRO 48 23.334 10.398 -16.525 1.00 0.00 ATOM 363 CD PRO 48 23.007 9.905 -17.906 1.00 0.00 ATOM 364 O PRO 48 19.640 9.025 -16.640 1.00 0.00 ATOM 365 C PRO 48 20.440 8.220 -16.154 1.00 0.00 ATOM 366 N THR 49 20.059 7.117 -15.519 1.00 0.00 ATOM 367 CA THR 49 18.651 6.755 -15.380 1.00 0.00 ATOM 368 CB THR 49 18.485 5.387 -14.680 1.00 0.00 ATOM 369 CG2 THR 49 19.015 5.428 -13.254 1.00 0.00 ATOM 370 OG1 THR 49 17.105 5.004 -14.666 1.00 0.00 ATOM 371 O THR 49 16.642 7.881 -14.693 1.00 0.00 ATOM 372 C THR 49 17.869 7.826 -14.614 1.00 0.00 ATOM 373 N SER 50 18.591 8.678 -13.893 1.00 0.00 ATOM 374 CA SER 50 17.993 9.779 -13.152 1.00 0.00 ATOM 375 CB SER 50 19.096 10.554 -12.430 1.00 0.00 ATOM 376 OG SER 50 20.036 9.664 -11.848 1.00 0.00 ATOM 377 O SER 50 16.142 11.189 -13.760 1.00 0.00 ATOM 378 C SER 50 17.230 10.718 -14.087 1.00 0.00 ATOM 379 N GLU 51 17.805 10.973 -15.257 1.00 0.00 ATOM 380 CA GLU 51 17.212 11.898 -16.213 1.00 0.00 ATOM 381 CB GLU 51 18.272 12.884 -16.704 1.00 0.00 ATOM 382 CG GLU 51 17.701 14.126 -17.363 1.00 0.00 ATOM 383 CD GLU 51 18.780 15.035 -17.904 1.00 0.00 ATOM 384 OE1 GLU 51 19.383 15.786 -17.111 1.00 0.00 ATOM 385 OE2 GLU 51 19.038 14.992 -19.127 1.00 0.00 ATOM 386 O GLU 51 15.939 11.708 -18.248 1.00 0.00 ATOM 387 C GLU 51 16.618 11.135 -17.396 1.00 0.00 ATOM 388 N PHE 52 16.877 9.834 -17.436 1.00 0.00 ATOM 389 CA PHE 52 16.405 8.984 -18.524 1.00 0.00 ATOM 390 CB PHE 52 17.023 7.588 -18.395 1.00 0.00 ATOM 391 CG PHE 52 16.675 6.652 -19.517 1.00 0.00 ATOM 392 CD1 PHE 52 15.698 5.681 -19.353 1.00 0.00 ATOM 393 CD2 PHE 52 17.327 6.742 -20.736 1.00 0.00 ATOM 394 CE1 PHE 52 15.381 4.819 -20.383 1.00 0.00 ATOM 395 CE2 PHE 52 17.012 5.883 -21.770 1.00 0.00 ATOM 396 CZ PHE 52 16.038 4.920 -21.593 1.00 0.00 ATOM 397 O PHE 52 14.248 8.772 -19.568 1.00 0.00 ATOM 398 C PHE 52 14.880 8.892 -18.519 1.00 0.00 ATOM 399 N VAL 53 14.298 8.972 -17.329 1.00 0.00 ATOM 400 CA VAL 53 12.854 8.855 -17.170 1.00 0.00 ATOM 401 CB VAL 53 12.475 8.497 -15.715 1.00 0.00 ATOM 402 CG1 VAL 53 13.001 7.118 -15.348 1.00 0.00 ATOM 403 CG2 VAL 53 13.007 9.542 -14.744 1.00 0.00 ATOM 404 O VAL 53 10.909 10.156 -17.723 1.00 0.00 ATOM 405 C VAL 53 12.133 10.139 -17.581 1.00 0.00 ATOM 406 N TRP 54 12.894 11.205 -17.782 1.00 0.00 ATOM 407 CA TRP 54 12.320 12.485 -18.164 1.00 0.00 ATOM 408 CB TRP 54 13.059 13.634 -17.476 1.00 0.00 ATOM 409 CG TRP 54 12.880 13.659 -15.989 1.00 0.00 ATOM 410 CD1 TRP 54 13.739 13.168 -15.049 1.00 0.00 ATOM 411 CD2 TRP 54 11.768 14.205 -15.271 1.00 0.00 ATOM 412 CE2 TRP 54 12.021 14.012 -13.900 1.00 0.00 ATOM 413 CE3 TRP 54 10.583 14.838 -15.655 1.00 0.00 ATOM 414 NE1 TRP 54 13.231 13.379 -13.791 1.00 0.00 ATOM 415 CZ2 TRP 54 11.133 14.432 -12.915 1.00 0.00 ATOM 416 CZ3 TRP 54 9.703 15.253 -14.675 1.00 0.00 ATOM 417 CH2 TRP 54 9.982 15.049 -13.319 1.00 0.00 ATOM 418 O TRP 54 13.438 12.587 -20.283 1.00 0.00 ATOM 419 C TRP 54 12.371 12.667 -19.674 1.00 0.00 ATOM 420 N SER 55 11.216 12.892 -20.275 1.00 0.00 ATOM 421 CA SER 55 11.132 13.122 -21.702 1.00 0.00 ATOM 422 CB SER 55 10.117 12.162 -22.323 1.00 0.00 ATOM 423 OG SER 55 10.457 10.815 -22.033 1.00 0.00 ATOM 424 O SER 55 9.601 14.977 -21.730 1.00 0.00 ATOM 425 C SER 55 10.740 14.570 -21.978 1.00 0.00 ATOM 426 N SER 56 11.693 15.354 -22.457 1.00 0.00 ATOM 427 CA SER 56 11.452 16.753 -22.761 1.00 0.00 ATOM 428 CB SER 56 12.785 17.491 -22.899 1.00 0.00 ATOM 429 OG SER 56 13.804 16.620 -23.371 1.00 0.00 ATOM 430 O SER 56 11.010 16.474 -25.111 1.00 0.00 ATOM 431 C SER 56 10.611 16.899 -24.026 1.00 0.00 ATOM 432 N VAL 57 9.430 17.480 -23.872 1.00 0.00 ATOM 433 CA VAL 57 8.540 17.706 -25.001 1.00 0.00 ATOM 434 CB VAL 57 7.079 17.357 -24.648 1.00 0.00 ATOM 435 CG1 VAL 57 6.947 15.864 -24.388 1.00 0.00 ATOM 436 CG2 VAL 57 6.605 18.148 -23.436 1.00 0.00 ATOM 437 O VAL 57 8.329 19.480 -26.618 1.00 0.00 ATOM 438 C VAL 57 8.647 19.152 -25.474 1.00 0.00 ATOM 439 N ARG 58 9.092 20.014 -24.570 1.00 0.00 ATOM 440 CA ARG 58 9.463 21.382 -24.909 1.00 0.00 ATOM 441 CB ARG 58 8.566 22.422 -24.216 1.00 0.00 ATOM 442 CG ARG 58 7.187 22.617 -24.840 1.00 0.00 ATOM 443 CD ARG 58 6.322 21.378 -24.714 1.00 0.00 ATOM 444 NE ARG 58 4.938 21.618 -25.112 1.00 0.00 ATOM 445 CZ ARG 58 4.351 21.034 -26.157 1.00 0.00 ATOM 446 NH1 ARG 58 5.058 20.286 -26.997 1.00 0.00 ATOM 447 NH2 ARG 58 3.058 21.220 -26.380 1.00 0.00 ATOM 448 O ARG 58 11.591 20.621 -24.153 1.00 0.00 ATOM 449 C ARG 58 10.909 21.588 -24.486 1.00 0.00 ATOM 450 N ASP 59 11.372 22.830 -24.484 1.00 0.00 ATOM 451 CA ASP 59 12.743 23.123 -24.069 1.00 0.00 ATOM 452 CB ASP 59 13.080 24.600 -24.287 1.00 0.00 ATOM 453 CG ASP 59 13.352 24.932 -25.737 1.00 0.00 ATOM 454 OD1 ASP 59 12.381 25.115 -26.503 1.00 0.00 ATOM 455 OD2 ASP 59 14.535 25.031 -26.117 1.00 0.00 ATOM 456 O ASP 59 13.757 21.878 -22.291 1.00 0.00 ATOM 457 C ASP 59 12.961 22.759 -22.607 1.00 0.00 ATOM 458 N ASP 60 12.236 23.425 -21.718 1.00 0.00 ATOM 459 CA ASP 60 12.423 23.223 -20.285 1.00 0.00 ATOM 460 CB ASP 60 12.542 24.568 -19.565 1.00 0.00 ATOM 461 CG ASP 60 13.686 25.412 -20.087 1.00 0.00 ATOM 462 OD1 ASP 60 14.843 25.164 -19.693 1.00 0.00 ATOM 463 OD2 ASP 60 13.427 26.334 -20.895 1.00 0.00 ATOM 464 O ASP 60 11.194 22.281 -18.462 1.00 0.00 ATOM 465 C ASP 60 11.276 22.427 -19.679 1.00 0.00 ATOM 466 N VAL 61 10.390 21.914 -20.524 1.00 0.00 ATOM 467 CA VAL 61 9.238 21.159 -20.041 1.00 0.00 ATOM 468 CB VAL 61 7.923 21.604 -20.717 1.00 0.00 ATOM 469 CG1 VAL 61 6.724 20.964 -20.034 1.00 0.00 ATOM 470 CG2 VAL 61 7.797 23.121 -20.719 1.00 0.00 ATOM 471 O VAL 61 9.389 19.205 -21.432 1.00 0.00 ATOM 472 C VAL 61 9.435 19.668 -20.287 1.00 0.00 ATOM 473 N MET 62 9.660 18.925 -19.214 1.00 0.00 ATOM 474 CA MET 62 9.859 17.486 -19.306 1.00 0.00 ATOM 475 CB MET 62 11.130 17.068 -18.565 1.00 0.00 ATOM 476 CG MET 62 12.404 17.650 -19.154 1.00 0.00 ATOM 477 SD MET 62 13.882 17.140 -18.255 1.00 0.00 ATOM 478 CE MET 62 13.542 17.815 -16.631 1.00 0.00 ATOM 479 O MET 62 8.068 17.155 -17.737 1.00 0.00 ATOM 480 C MET 62 8.663 16.734 -18.732 1.00 0.00 ATOM 481 N ARG 63 8.312 15.631 -19.378 1.00 0.00 ATOM 482 CA ARG 63 7.248 14.756 -18.904 1.00 0.00 ATOM 483 CB ARG 63 6.233 14.490 -20.020 1.00 0.00 ATOM 484 CG ARG 63 5.431 15.713 -20.430 1.00 0.00 ATOM 485 CD ARG 63 4.635 15.460 -21.702 1.00 0.00 ATOM 486 NE ARG 63 3.688 14.353 -21.568 1.00 0.00 ATOM 487 CZ ARG 63 3.160 13.691 -22.597 1.00 0.00 ATOM 488 NH1 ARG 63 3.498 14.000 -23.844 1.00 0.00 ATOM 489 NH2 ARG 63 2.291 12.718 -22.376 1.00 0.00 ATOM 490 O ARG 63 8.732 12.889 -19.082 1.00 0.00 ATOM 491 C ARG 63 7.846 13.440 -18.429 1.00 0.00 ATOM 492 N LEU 64 7.382 12.956 -17.290 1.00 0.00 ATOM 493 CA LEU 64 7.859 11.693 -16.750 1.00 0.00 ATOM 494 CB LEU 64 7.517 11.592 -15.257 1.00 0.00 ATOM 495 CG LEU 64 8.425 10.686 -14.406 1.00 0.00 ATOM 496 CD1 LEU 64 8.394 9.240 -14.882 1.00 0.00 ATOM 497 CD2 LEU 64 9.849 11.211 -14.413 1.00 0.00 ATOM 498 O LEU 64 6.016 10.326 -17.450 1.00 0.00 ATOM 499 C LEU 64 7.228 10.534 -17.510 1.00 0.00 ATOM 500 N GLY 65 8.051 9.790 -18.225 1.00 0.00 ATOM 501 CA GLY 65 7.574 8.608 -18.906 1.00 0.00 ATOM 502 O GLY 65 8.875 6.846 -17.973 1.00 0.00 ATOM 503 C GLY 65 7.774 7.380 -18.049 1.00 0.00 ATOM 504 N ARG 66 6.724 6.936 -17.380 1.00 0.00 ATOM 505 CA ARG 66 6.848 5.823 -16.451 1.00 0.00 ATOM 506 CB ARG 66 5.609 5.704 -15.558 1.00 0.00 ATOM 507 CG ARG 66 4.335 5.341 -16.299 1.00 0.00 ATOM 508 CD ARG 66 3.163 5.210 -15.340 1.00 0.00 ATOM 509 NE ARG 66 1.970 4.689 -16.001 1.00 0.00 ATOM 510 CZ ARG 66 0.991 4.037 -15.373 1.00 0.00 ATOM 511 NH1 ARG 66 1.028 3.885 -14.051 1.00 0.00 ATOM 512 NH2 ARG 66 -0.030 3.552 -16.069 1.00 0.00 ATOM 513 O ARG 66 7.546 3.529 -16.551 1.00 0.00 ATOM 514 C ARG 66 7.132 4.505 -17.174 1.00 0.00 ATOM 515 N GLU 67 6.918 4.476 -18.485 1.00 0.00 ATOM 516 CA GLU 67 7.262 3.304 -19.286 1.00 0.00 ATOM 517 CB GLU 67 6.764 3.430 -20.735 1.00 0.00 ATOM 518 CG GLU 67 6.889 4.822 -21.335 1.00 0.00 ATOM 519 CD GLU 67 5.671 5.678 -21.061 1.00 0.00 ATOM 520 OE1 GLU 67 4.763 5.720 -21.919 1.00 0.00 ATOM 521 OE2 GLU 67 5.605 6.296 -19.982 1.00 0.00 ATOM 522 O GLU 67 9.222 1.926 -19.488 1.00 0.00 ATOM 523 C GLU 67 8.770 3.050 -19.261 1.00 0.00 ATOM 524 N GLN 68 9.546 4.094 -18.978 1.00 0.00 ATOM 525 CA GLN 68 10.997 3.971 -18.869 1.00 0.00 ATOM 526 CB GLN 68 11.633 5.329 -18.572 1.00 0.00 ATOM 527 CG GLN 68 11.251 6.429 -19.552 1.00 0.00 ATOM 528 CD GLN 68 11.984 6.359 -20.882 1.00 0.00 ATOM 529 OE1 GLN 68 12.264 7.385 -21.499 1.00 0.00 ATOM 530 NE2 GLN 68 12.274 5.157 -21.354 1.00 0.00 ATOM 531 O GLN 68 12.378 2.298 -17.835 1.00 0.00 ATOM 532 C GLN 68 11.363 2.990 -17.761 1.00 0.00 ATOM 533 N LEU 69 10.514 2.932 -16.739 1.00 0.00 ATOM 534 CA LEU 69 10.729 2.050 -15.597 1.00 0.00 ATOM 535 CB LEU 69 9.669 2.282 -14.512 1.00 0.00 ATOM 536 CG LEU 69 9.872 3.526 -13.635 1.00 0.00 ATOM 537 CD1 LEU 69 9.699 4.809 -14.433 1.00 0.00 ATOM 538 CD2 LEU 69 8.912 3.500 -12.455 1.00 0.00 ATOM 539 O LEU 69 11.364 -0.250 -15.392 1.00 0.00 ATOM 540 C LEU 69 10.729 0.587 -16.027 1.00 0.00 ATOM 541 N GLN 70 10.019 0.280 -17.109 1.00 0.00 ATOM 542 CA GLN 70 9.977 -1.082 -17.626 1.00 0.00 ATOM 543 CB GLN 70 8.935 -1.214 -18.734 1.00 0.00 ATOM 544 CG GLN 70 7.525 -0.857 -18.291 1.00 0.00 ATOM 545 CD GLN 70 6.490 -1.081 -19.378 1.00 0.00 ATOM 546 OE1 GLN 70 5.491 -0.366 -19.454 1.00 0.00 ATOM 547 NE2 GLN 70 6.713 -2.084 -20.213 1.00 0.00 ATOM 548 O GLN 70 11.702 -2.676 -18.118 1.00 0.00 ATOM 549 C GLN 70 11.347 -1.501 -18.149 1.00 0.00 ATOM 550 N ILE 71 12.122 -0.530 -18.617 1.00 0.00 ATOM 551 CA ILE 71 13.481 -0.794 -19.068 1.00 0.00 ATOM 552 CB ILE 71 14.069 0.413 -19.833 1.00 0.00 ATOM 553 CG1 ILE 71 13.186 0.748 -21.041 1.00 0.00 ATOM 554 CG2 ILE 71 15.499 0.127 -20.275 1.00 0.00 ATOM 555 CD1 ILE 71 13.667 1.940 -21.842 1.00 0.00 ATOM 556 O ILE 71 15.277 -1.952 -17.955 1.00 0.00 ATOM 557 C ILE 71 14.360 -1.134 -17.868 1.00 0.00 ATOM 558 N LEU 72 14.046 -0.519 -16.737 1.00 0.00 ATOM 559 CA LEU 72 14.731 -0.810 -15.485 1.00 0.00 ATOM 560 CB LEU 72 14.465 0.302 -14.470 1.00 0.00 ATOM 561 CG LEU 72 14.725 1.723 -14.979 1.00 0.00 ATOM 562 CD1 LEU 72 14.443 2.739 -13.885 1.00 0.00 ATOM 563 CD2 LEU 72 16.152 1.864 -15.488 1.00 0.00 ATOM 564 O LEU 72 14.994 -2.881 -14.285 1.00 0.00 ATOM 565 C LEU 72 14.248 -2.149 -14.939 1.00 0.00 ATOM 566 N LEU 73 12.988 -2.455 -15.226 1.00 0.00 ATOM 567 CA LEU 73 12.382 -3.734 -14.873 1.00 0.00 ATOM 568 CB LEU 73 10.908 -3.725 -15.295 1.00 0.00 ATOM 569 CG LEU 73 10.136 -5.029 -15.089 1.00 0.00 ATOM 570 CD1 LEU 73 9.999 -5.348 -13.608 1.00 0.00 ATOM 571 CD2 LEU 73 8.767 -4.931 -15.751 1.00 0.00 ATOM 572 O LEU 73 13.232 -5.981 -15.004 1.00 0.00 ATOM 573 C LEU 73 13.129 -4.882 -15.550 1.00 0.00 ATOM 574 N GLU 74 13.655 -4.612 -16.741 1.00 0.00 ATOM 575 CA GLU 74 14.480 -5.578 -17.458 1.00 0.00 ATOM 576 CB GLU 74 14.905 -5.011 -18.815 1.00 0.00 ATOM 577 CG GLU 74 13.744 -4.604 -19.709 1.00 0.00 ATOM 578 CD GLU 74 12.895 -5.780 -20.146 1.00 0.00 ATOM 579 OE1 GLU 74 13.363 -6.568 -20.996 1.00 0.00 ATOM 580 OE2 GLU 74 11.754 -5.913 -19.660 1.00 0.00 ATOM 581 O GLU 74 16.183 -7.070 -16.642 1.00 0.00 ATOM 582 C GLU 74 15.721 -5.928 -16.638 1.00 0.00 ATOM 583 N GLN 75 16.249 -4.937 -15.927 1.00 0.00 ATOM 584 CA GLN 75 17.425 -5.134 -15.089 1.00 0.00 ATOM 585 CB GLN 75 18.107 -3.797 -14.789 1.00 0.00 ATOM 586 CG GLN 75 18.625 -3.075 -16.025 1.00 0.00 ATOM 587 CD GLN 75 19.628 -3.899 -16.812 1.00 0.00 ATOM 588 OE1 GLN 75 20.832 -3.850 -16.554 1.00 0.00 ATOM 589 NE2 GLN 75 19.141 -4.649 -17.790 1.00 0.00 ATOM 590 O GLN 75 17.826 -6.614 -13.244 1.00 0.00 ATOM 591 C GLN 75 17.043 -5.839 -13.789 1.00 0.00 ATOM 592 N ASN 76 15.841 -5.539 -13.289 1.00 0.00 ATOM 593 CA ASN 76 15.258 -6.249 -12.140 1.00 0.00 ATOM 594 CB ASN 76 15.225 -7.762 -12.425 1.00 0.00 ATOM 595 CG ASN 76 14.476 -8.578 -11.380 1.00 0.00 ATOM 596 ND2 ASN 76 13.423 -8.019 -10.802 1.00 0.00 ATOM 597 OD1 ASN 76 14.840 -9.721 -11.105 1.00 0.00 ATOM 598 O ASN 76 15.870 -6.636 -9.834 1.00 0.00 ATOM 599 C ASN 76 16.027 -5.950 -10.844 1.00 0.00 ATOM 600 N ILE 77 16.837 -4.902 -10.866 1.00 0.00 ATOM 601 CA ILE 77 17.607 -4.519 -9.692 1.00 0.00 ATOM 602 CB ILE 77 19.131 -4.476 -9.990 1.00 0.00 ATOM 603 CG1 ILE 77 19.427 -4.030 -11.430 1.00 0.00 ATOM 604 CG2 ILE 77 19.745 -5.842 -9.741 1.00 0.00 ATOM 605 CD1 ILE 77 19.498 -2.533 -11.625 1.00 0.00 ATOM 606 O ILE 77 17.595 -2.116 -9.419 1.00 0.00 ATOM 607 C ILE 77 17.105 -3.198 -9.100 1.00 0.00 ATOM 608 N ASN 78 16.109 -3.309 -8.228 1.00 0.00 ATOM 609 CA ASN 78 15.426 -2.147 -7.672 1.00 0.00 ATOM 610 CB ASN 78 14.121 -2.563 -6.985 1.00 0.00 ATOM 611 CG ASN 78 13.075 -3.073 -7.958 1.00 0.00 ATOM 612 ND2 ASN 78 12.242 -2.173 -8.460 1.00 0.00 ATOM 613 OD1 ASN 78 13.007 -4.267 -8.251 1.00 0.00 ATOM 614 O ASN 78 16.293 -0.163 -6.654 1.00 0.00 ATOM 615 C ASN 78 16.301 -1.392 -6.681 1.00 0.00 ATOM 616 N GLU 79 17.057 -2.124 -5.876 1.00 0.00 ATOM 617 CA GLU 79 17.882 -1.508 -4.844 1.00 0.00 ATOM 618 CB GLU 79 18.208 -2.521 -3.746 1.00 0.00 ATOM 619 CG GLU 79 16.977 -3.099 -3.069 1.00 0.00 ATOM 620 CD GLU 79 17.327 -4.011 -1.916 1.00 0.00 ATOM 621 OE1 GLU 79 17.406 -3.521 -0.770 1.00 0.00 ATOM 622 OE2 GLU 79 17.525 -5.222 -2.148 1.00 0.00 ATOM 623 O GLU 79 19.722 0.029 -4.954 1.00 0.00 ATOM 624 C GLU 79 19.166 -0.953 -5.444 1.00 0.00 ATOM 625 N ARG 80 19.624 -1.583 -6.514 1.00 0.00 ATOM 626 CA ARG 80 20.847 -1.168 -7.188 1.00 0.00 ATOM 627 CB ARG 80 21.224 -2.195 -8.248 1.00 0.00 ATOM 628 CG ARG 80 22.660 -2.087 -8.725 1.00 0.00 ATOM 629 CD ARG 80 22.987 -3.180 -9.726 1.00 0.00 ATOM 630 NE ARG 80 24.391 -3.156 -10.126 1.00 0.00 ATOM 631 CZ ARG 80 24.884 -3.847 -11.152 1.00 0.00 ATOM 632 NH1 ARG 80 24.095 -4.631 -11.879 1.00 0.00 ATOM 633 NH2 ARG 80 26.174 -3.768 -11.445 1.00 0.00 ATOM 634 O ARG 80 21.492 1.094 -7.681 1.00 0.00 ATOM 635 C ARG 80 20.659 0.202 -7.831 1.00 0.00 ATOM 636 N LEU 81 19.552 0.353 -8.544 1.00 0.00 ATOM 637 CA LEU 81 19.200 1.626 -9.168 1.00 0.00 ATOM 638 CB LEU 81 18.172 1.406 -10.275 1.00 0.00 ATOM 639 CG LEU 81 18.711 0.823 -11.575 1.00 0.00 ATOM 640 CD1 LEU 81 17.564 0.374 -12.464 1.00 0.00 ATOM 641 CD2 LEU 81 19.560 1.855 -12.293 1.00 0.00 ATOM 642 O LEU 81 18.615 3.809 -8.374 1.00 0.00 ATOM 643 C LEU 81 18.631 2.600 -8.144 1.00 0.00 ATOM 644 N ASN 82 18.163 2.055 -7.024 1.00 0.00 ATOM 645 CA ASN 82 17.523 2.838 -5.970 1.00 0.00 ATOM 646 CB ASN 82 18.467 3.925 -5.432 1.00 0.00 ATOM 647 CG ASN 82 17.906 4.646 -4.218 1.00 0.00 ATOM 648 ND2 ASN 82 18.260 5.910 -4.065 1.00 0.00 ATOM 649 OD1 ASN 82 17.161 4.071 -3.423 1.00 0.00 ATOM 650 O ASN 82 16.077 4.677 -6.565 1.00 0.00 ATOM 651 C ASN 82 16.220 3.455 -6.478 1.00 0.00 ATOM 652 N ILE 83 15.277 2.596 -6.848 1.00 0.00 ATOM 653 CA ILE 83 13.957 3.054 -7.255 1.00 0.00 ATOM 654 CB ILE 83 13.207 2.027 -8.148 1.00 0.00 ATOM 655 CG1 ILE 83 13.855 1.916 -9.529 1.00 0.00 ATOM 656 CG2 ILE 83 11.739 2.400 -8.298 1.00 0.00 ATOM 657 CD1 ILE 83 14.990 0.925 -9.592 1.00 0.00 ATOM 658 O ILE 83 12.866 2.474 -5.200 1.00 0.00 ATOM 659 C ILE 83 13.119 3.358 -6.023 1.00 0.00 ATOM 660 N GLY 84 12.710 4.612 -5.896 1.00 0.00 ATOM 661 CA GLY 84 11.918 5.028 -4.758 1.00 0.00 ATOM 662 O GLY 84 10.056 3.846 -5.693 1.00 0.00 ATOM 663 C GLY 84 10.581 4.316 -4.683 1.00 0.00 ATOM 664 N GLU 85 10.028 4.242 -3.486 1.00 0.00 ATOM 665 CA GLU 85 8.730 3.616 -3.276 1.00 0.00 ATOM 666 CB GLU 85 8.421 3.505 -1.785 1.00 0.00 ATOM 667 CG GLU 85 9.315 2.517 -1.057 1.00 0.00 ATOM 668 CD GLU 85 8.932 2.350 0.394 1.00 0.00 ATOM 669 OE1 GLU 85 9.654 2.865 1.271 1.00 0.00 ATOM 670 OE2 GLU 85 7.901 1.704 0.669 1.00 0.00 ATOM 671 O GLU 85 6.746 3.733 -4.613 1.00 0.00 ATOM 672 C GLU 85 7.612 4.367 -4.011 1.00 0.00 ATOM 673 N PRO 86 7.597 5.723 -3.974 1.00 0.00 ATOM 674 CA PRO 86 6.685 6.517 -4.810 1.00 0.00 ATOM 675 CB PRO 86 7.170 7.950 -4.600 1.00 0.00 ATOM 676 CG PRO 86 7.777 7.943 -3.244 1.00 0.00 ATOM 677 CD PRO 86 8.407 6.590 -3.086 1.00 0.00 ATOM 678 O PRO 86 5.815 6.265 -7.038 1.00 0.00 ATOM 679 C PRO 86 6.779 6.140 -6.289 1.00 0.00 ATOM 680 N LEU 87 7.946 5.665 -6.695 1.00 0.00 ATOM 681 CA LEU 87 8.174 5.248 -8.074 1.00 0.00 ATOM 682 CB LEU 87 9.677 5.198 -8.370 1.00 0.00 ATOM 683 CG LEU 87 10.355 6.527 -8.732 1.00 0.00 ATOM 684 CD1 LEU 87 10.233 6.797 -10.225 1.00 0.00 ATOM 685 CD2 LEU 87 9.765 7.688 -7.947 1.00 0.00 ATOM 686 O LEU 87 6.985 3.622 -9.384 1.00 0.00 ATOM 687 C LEU 87 7.546 3.880 -8.319 1.00 0.00 ATOM 688 N LEU 88 7.637 3.015 -7.314 1.00 0.00 ATOM 689 CA LEU 88 7.054 1.680 -7.384 1.00 0.00 ATOM 690 CB LEU 88 7.407 0.876 -6.129 1.00 0.00 ATOM 691 CG LEU 88 8.901 0.624 -5.910 1.00 0.00 ATOM 692 CD1 LEU 88 9.135 -0.055 -4.569 1.00 0.00 ATOM 693 CD2 LEU 88 9.467 -0.224 -7.041 1.00 0.00 ATOM 694 O LEU 88 4.941 1.017 -8.311 1.00 0.00 ATOM 695 C LEU 88 5.539 1.760 -7.534 1.00 0.00 ATOM 696 N VAL 89 4.923 2.670 -6.791 1.00 0.00 ATOM 697 CA VAL 89 3.482 2.851 -6.860 1.00 0.00 ATOM 698 CB VAL 89 2.918 3.596 -5.625 1.00 0.00 ATOM 699 CG1 VAL 89 3.238 2.831 -4.353 1.00 0.00 ATOM 700 CG2 VAL 89 3.448 5.018 -5.532 1.00 0.00 ATOM 701 O VAL 89 2.024 3.318 -8.705 1.00 0.00 ATOM 702 C VAL 89 3.088 3.578 -8.144 1.00 0.00 ATOM 703 N TYR 90 3.963 4.475 -8.609 1.00 0.00 ATOM 704 CA TYR 90 3.724 5.255 -9.826 1.00 0.00 ATOM 705 CB TYR 90 4.848 6.278 -10.024 1.00 0.00 ATOM 706 CG TYR 90 4.561 7.307 -11.097 1.00 0.00 ATOM 707 CD1 TYR 90 5.540 7.694 -12.003 1.00 0.00 ATOM 708 CD2 TYR 90 3.307 7.894 -11.201 1.00 0.00 ATOM 709 CE1 TYR 90 5.274 8.637 -12.980 1.00 0.00 ATOM 710 CE2 TYR 90 3.035 8.834 -12.174 1.00 0.00 ATOM 711 CZ TYR 90 4.019 9.204 -13.058 1.00 0.00 ATOM 712 OH TYR 90 3.744 10.141 -14.029 1.00 0.00 ATOM 713 O TYR 90 2.986 4.687 -12.051 1.00 0.00 ATOM 714 C TYR 90 3.625 4.346 -11.050 1.00 0.00 ATOM 715 N LEU 91 4.261 3.185 -10.961 1.00 0.00 ATOM 716 CA LEU 91 4.198 2.191 -12.021 1.00 0.00 ATOM 717 CB LEU 91 5.170 1.041 -11.706 1.00 0.00 ATOM 718 CG LEU 91 5.468 0.064 -12.854 1.00 0.00 ATOM 719 CD1 LEU 91 6.833 -0.576 -12.655 1.00 0.00 ATOM 720 CD2 LEU 91 4.404 -1.020 -12.942 1.00 0.00 ATOM 721 O LEU 91 2.344 1.258 -13.240 1.00 0.00 ATOM 722 C LEU 91 2.762 1.685 -12.164 1.00 0.00 ATOM 723 N ARG 92 2.002 1.780 -11.078 1.00 0.00 ATOM 724 CA ARG 92 0.621 1.317 -11.062 1.00 0.00 ATOM 725 CB ARG 92 0.328 0.571 -9.758 1.00 0.00 ATOM 726 CG ARG 92 1.476 -0.312 -9.292 1.00 0.00 ATOM 727 CD ARG 92 1.095 -1.128 -8.071 1.00 0.00 ATOM 728 NE ARG 92 0.442 -0.317 -7.045 1.00 0.00 ATOM 729 CZ ARG 92 0.177 -0.750 -5.816 1.00 0.00 ATOM 730 NH1 ARG 92 0.611 -1.934 -5.412 1.00 0.00 ATOM 731 NH2 ARG 92 -0.513 0.012 -4.981 1.00 0.00 ATOM 732 O ARG 92 -0.962 2.669 -12.264 1.00 0.00 ATOM 733 C ARG 92 -0.336 2.499 -11.219 1.00 0.00 ATOM 734 N ARG 93 -0.424 3.330 -10.187 1.00 0.00 ATOM 735 CA ARG 93 -1.289 4.507 -10.216 1.00 0.00 ATOM 736 CB ARG 93 -2.453 4.366 -9.234 1.00 0.00 ATOM 737 CG ARG 93 -3.413 3.242 -9.580 1.00 0.00 ATOM 738 CD ARG 93 -4.665 3.298 -8.724 1.00 0.00 ATOM 739 NE ARG 93 -5.462 4.497 -8.988 1.00 0.00 ATOM 740 CZ ARG 93 -6.750 4.616 -8.675 1.00 0.00 ATOM 741 NH1 ARG 93 -7.384 3.621 -8.066 1.00 0.00 ATOM 742 NH2 ARG 93 -7.401 5.739 -8.956 1.00 0.00 ATOM 743 O ARG 93 0.734 5.682 -9.738 1.00 0.00 ATOM 744 C ARG 93 -0.481 5.754 -9.893 1.00 0.00 ATOM 745 N GLN 94 -1.146 6.895 -9.782 1.00 0.00 ATOM 746 CA GLN 94 -0.435 8.148 -9.595 1.00 0.00 ATOM 747 CB GLN 94 0.008 8.713 -10.950 1.00 0.00 ATOM 748 CG GLN 94 -1.132 9.046 -11.909 1.00 0.00 ATOM 749 CD GLN 94 -1.703 7.831 -12.618 1.00 0.00 ATOM 750 OE1 GLN 94 -2.646 7.201 -12.140 1.00 0.00 ATOM 751 NE2 GLN 94 -1.136 7.496 -13.766 1.00 0.00 ATOM 752 O GLN 94 -2.503 9.112 -8.820 1.00 0.00 ATOM 753 C GLN 94 -1.272 9.191 -8.864 1.00 0.00 ATOM 754 N ASP 95 -0.578 10.157 -8.272 1.00 0.00 ATOM 755 CA ASP 95 -1.211 11.354 -7.725 1.00 0.00 ATOM 756 CB ASP 95 -0.422 11.876 -6.517 1.00 0.00 ATOM 757 CG ASP 95 -1.091 13.058 -5.838 1.00 0.00 ATOM 758 OD1 ASP 95 -0.900 14.202 -6.293 1.00 0.00 ATOM 759 OD2 ASP 95 -1.805 12.848 -4.835 1.00 0.00 ATOM 760 O ASP 95 -2.320 12.883 -9.218 1.00 0.00 ATOM 761 C ASP 95 -1.255 12.403 -8.827 1.00 0.00 ATOM 762 N LEU 96 -0.075 12.736 -9.333 1.00 0.00 ATOM 763 CA LEU 96 0.049 13.505 -10.561 1.00 0.00 ATOM 764 CB LEU 96 1.364 14.307 -10.593 1.00 0.00 ATOM 765 CG LEU 96 1.459 15.510 -9.644 1.00 0.00 ATOM 766 CD1 LEU 96 0.246 16.413 -9.800 1.00 0.00 ATOM 767 CD2 LEU 96 1.625 15.061 -8.199 1.00 0.00 ATOM 768 O LEU 96 0.860 11.643 -11.806 1.00 0.00 ATOM 769 C LEU 96 0.019 12.538 -11.736 1.00 0.00 ATOM 770 N PRO 97 -0.952 12.691 -12.659 1.00 0.00 ATOM 771 CA PRO 97 -1.111 11.787 -13.808 1.00 0.00 ATOM 772 CB PRO 97 -2.089 12.534 -14.713 1.00 0.00 ATOM 773 CG PRO 97 -2.885 13.386 -13.788 1.00 0.00 ATOM 774 CD PRO 97 -1.962 13.764 -12.660 1.00 0.00 ATOM 775 O PRO 97 0.671 10.421 -14.672 1.00 0.00 ATOM 776 C PRO 97 0.211 11.555 -14.524 1.00 0.00 ATOM 777 N GLU 98 0.816 12.648 -14.948 1.00 0.00 ATOM 778 CA GLU 98 2.149 12.630 -15.504 1.00 0.00 ATOM 779 CB GLU 98 2.115 12.951 -16.995 1.00 0.00 ATOM 780 CG GLU 98 1.412 11.897 -17.827 1.00 0.00 ATOM 781 CD GLU 98 1.244 12.325 -19.265 1.00 0.00 ATOM 782 OE1 GLU 98 2.067 13.125 -19.751 1.00 0.00 ATOM 783 OE2 GLU 98 0.285 11.867 -19.920 1.00 0.00 ATOM 784 O GLU 98 2.605 14.825 -14.685 1.00 0.00 ATOM 785 C GLU 98 2.986 13.655 -14.770 1.00 0.00 ATOM 786 N ILE 99 4.104 13.222 -14.217 1.00 0.00 ATOM 787 CA ILE 99 4.958 14.126 -13.474 1.00 0.00 ATOM 788 CB ILE 99 5.997 13.369 -12.621 1.00 0.00 ATOM 789 CG1 ILE 99 5.289 12.431 -11.639 1.00 0.00 ATOM 790 CG2 ILE 99 6.886 14.351 -11.874 1.00 0.00 ATOM 791 CD1 ILE 99 6.233 11.613 -10.782 1.00 0.00 ATOM 792 O ILE 99 6.496 14.663 -15.238 1.00 0.00 ATOM 793 C ILE 99 5.654 15.072 -14.439 1.00 0.00 ATOM 794 N THR 100 5.262 16.329 -14.385 1.00 0.00 ATOM 795 CA THR 100 5.762 17.325 -15.310 1.00 0.00 ATOM 796 CB THR 100 4.601 18.052 -16.017 1.00 0.00 ATOM 797 CG2 THR 100 4.184 17.313 -17.279 1.00 0.00 ATOM 798 OG1 THR 100 3.476 18.161 -15.130 1.00 0.00 ATOM 799 O THR 100 6.297 18.873 -13.551 1.00 0.00 ATOM 800 C THR 100 6.655 18.330 -14.599 1.00 0.00 ATOM 801 N ALA 101 7.829 18.552 -15.161 1.00 0.00 ATOM 802 CA ALA 101 8.772 19.499 -14.605 1.00 0.00 ATOM 803 CB ALA 101 10.007 18.778 -14.087 1.00 0.00 ATOM 804 O ALA 101 9.658 20.176 -16.719 1.00 0.00 ATOM 805 C ALA 101 9.158 20.528 -15.649 1.00 0.00 ATOM 806 N GLN 102 8.900 21.790 -15.351 1.00 0.00 ATOM 807 CA GLN 102 9.277 22.869 -16.244 1.00 0.00 ATOM 808 CB GLN 102 8.113 23.249 -17.169 1.00 0.00 ATOM 809 CG GLN 102 6.916 23.864 -16.463 1.00 0.00 ATOM 810 CD GLN 102 5.773 24.150 -17.415 1.00 0.00 ATOM 811 OE1 GLN 102 5.707 25.218 -18.024 1.00 0.00 ATOM 812 NE2 GLN 102 4.857 23.202 -17.538 1.00 0.00 ATOM 813 O GLN 102 9.200 24.375 -14.379 1.00 0.00 ATOM 814 C GLN 102 9.745 24.074 -15.443 1.00 0.00 ATOM 815 N ARG 103 10.766 24.742 -15.941 1.00 0.00 ATOM 816 CA ARG 103 11.307 25.910 -15.272 1.00 0.00 ATOM 817 CB ARG 103 12.657 25.584 -14.628 1.00 0.00 ATOM 818 CG ARG 103 13.650 24.931 -15.576 1.00 0.00 ATOM 819 CD ARG 103 15.013 24.778 -14.930 1.00 0.00 ATOM 820 NE ARG 103 15.963 24.103 -15.811 1.00 0.00 ATOM 821 CZ ARG 103 16.724 24.726 -16.708 1.00 0.00 ATOM 822 NH1 ARG 103 16.625 26.042 -16.880 1.00 0.00 ATOM 823 NH2 ARG 103 17.586 24.029 -17.438 1.00 0.00 ATOM 824 O ARG 103 12.007 26.906 -17.336 1.00 0.00 ATOM 825 C ARG 103 11.448 27.063 -16.252 1.00 0.00 ATOM 826 N GLN 104 10.922 28.213 -15.876 1.00 0.00 ATOM 827 CA GLN 104 10.988 29.392 -16.721 1.00 0.00 ATOM 828 CB GLN 104 9.606 29.720 -17.308 1.00 0.00 ATOM 829 CG GLN 104 8.424 29.334 -16.422 1.00 0.00 ATOM 830 CD GLN 104 8.363 30.113 -15.123 1.00 0.00 ATOM 831 OE1 GLN 104 8.912 29.689 -14.106 1.00 0.00 ATOM 832 NE2 GLN 104 7.686 31.248 -15.148 1.00 0.00 ATOM 833 O GLN 104 11.497 30.623 -14.723 1.00 0.00 ATOM 834 C GLN 104 11.561 30.576 -15.953 1.00 0.00 ATOM 835 N LEU 105 12.144 31.514 -16.679 1.00 0.00 ATOM 836 CA LEU 105 12.783 32.668 -16.066 1.00 0.00 ATOM 837 CB LEU 105 14.304 32.557 -16.217 1.00 0.00 ATOM 838 CG LEU 105 15.121 33.562 -15.402 1.00 0.00 ATOM 839 CD1 LEU 105 14.807 33.432 -13.919 1.00 0.00 ATOM 840 CD2 LEU 105 16.604 33.359 -15.650 1.00 0.00 ATOM 841 O LEU 105 12.899 35.006 -16.642 1.00 0.00 ATOM 842 C LEU 105 12.265 33.952 -16.704 1.00 0.00 ATOM 843 N ARG 106 11.097 33.856 -17.315 1.00 0.00 ATOM 844 CA ARG 106 10.471 35.009 -17.934 1.00 0.00 ATOM 845 CB ARG 106 9.525 34.572 -19.053 1.00 0.00 ATOM 846 CG ARG 106 10.238 33.900 -20.214 1.00 0.00 ATOM 847 CD ARG 106 9.265 33.485 -21.304 1.00 0.00 ATOM 848 NE ARG 106 8.513 34.623 -21.832 1.00 0.00 ATOM 849 CZ ARG 106 7.578 34.525 -22.774 1.00 0.00 ATOM 850 NH1 ARG 106 7.319 33.354 -23.349 1.00 0.00 ATOM 851 NH2 ARG 106 6.917 35.606 -23.160 1.00 0.00 ATOM 852 O ARG 106 10.316 36.786 -16.354 1.00 0.00 ATOM 853 C ARG 106 9.725 35.821 -16.886 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 T0314.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0314)F21.C and (T0314)G26.C only 0 apart, marking (T0314)G26.C as missing WARNING: atoms too close: (T0314)N22.N and (T0314)R27.N only 0 apart, marking (T0314)N22.N as missing WARNING: atoms too close: (T0314)N22.CA and (T0314)R27.CA only 0 apart, marking (T0314)N22.CA as missing WARNING: atoms too close: (T0314)E51.C and (T0314)R58.C only 0 apart, marking (T0314)R58.C as missing WARNING: atoms too close: (T0314)F52.N and (T0314)D59.N only 0 apart, marking (T0314)F52.N as missing WARNING: atoms too close: (T0314)F52.CA and (T0314)D59.CA only 0 apart, marking (T0314)F52.CA as missing # WARNING: incomplete conformation T0314 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 = 0.575 # GDT_score = -13.679 # GDT_score(maxd=8.000,maxw=2.900)= -12.974 # GDT_score(maxd=8.000,maxw=3.200)= -12.630 # GDT_score(maxd=8.000,maxw=3.500)= -12.177 # GDT_score(maxd=10.000,maxw=3.800)= -13.238 # GDT_score(maxd=10.000,maxw=4.000)= -12.880 # GDT_score(maxd=10.000,maxw=4.200)= -12.535 # GDT_score(maxd=12.000,maxw=4.300)= -13.817 # GDT_score(maxd=12.000,maxw=4.500)= -13.446 # GDT_score(maxd=12.000,maxw=4.700)= -13.074 # GDT_score(maxd=14.000,maxw=5.200)= -13.516 # GDT_score(maxd=14.000,maxw=5.500)= -12.994 # command:# ReadConformPDB reading from PDB file T0314.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0314 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 = 0.358 # GDT_score = -13.679 # GDT_score(maxd=8.000,maxw=2.900)= -13.357 # GDT_score(maxd=8.000,maxw=3.200)= -12.821 # GDT_score(maxd=8.000,maxw=3.500)= -12.312 # GDT_score(maxd=10.000,maxw=3.800)= -13.285 # GDT_score(maxd=10.000,maxw=4.000)= -12.951 # GDT_score(maxd=10.000,maxw=4.200)= -12.646 # GDT_score(maxd=12.000,maxw=4.300)= -13.682 # GDT_score(maxd=12.000,maxw=4.500)= -13.357 # GDT_score(maxd=12.000,maxw=4.700)= -13.014 # GDT_score(maxd=14.000,maxw=5.200)= -13.264 # GDT_score(maxd=14.000,maxw=5.500)= -12.746 # command:# ReadConformPDB reading from PDB file T0314.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0314.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0314)D59.C and (T0314)R63.C only 0 apart, marking (T0314)R63.C as missing WARNING: atoms too close: (T0314)D60.N and (T0314)L64.N only 0 apart, marking (T0314)D60.N as missing WARNING: atoms too close: (T0314)D60.CA and (T0314)L64.CA only 0 apart, marking (T0314)D60.CA as missing # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0314.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0314)F18.C and (T0314)K24.C only 0 apart, marking (T0314)K24.C as missing WARNING: atoms too close: (T0314)V19.N and (T0314)T25.N only 0 apart, marking (T0314)V19.N as missing WARNING: atoms too close: (T0314)V19.CA and (T0314)T25.CA only 0 apart, marking (T0314)V19.CA as missing WARNING: atoms too close: (T0314)G26.C and (T0314)D59.C only 0 apart, marking (T0314)D59.C as missing WARNING: atoms too close: (T0314)R27.N and (T0314)D60.N only 0 apart, marking (T0314)R27.N as missing WARNING: atoms too close: (T0314)R27.CA and (T0314)D60.CA only 0 apart, marking (T0314)R27.CA as missing # WARNING: incomplete conformation T0314 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 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try13-opt2-moved-strand-and-helices.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try14-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try16-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 T0314.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try20-opt2-fix-loop-2nd-try.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try20-opt2-fix-loop.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try20-opt2-moved-strand-and-helix.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try20-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 T0314.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try21-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try24-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 T0314.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try25-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 T0314.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try27-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try29-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 T0314.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try30-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try30-opt1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try30-opt2-fix-loop.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try30-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try30-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 T0314.try30-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try30-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try31-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try31-opt1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try31-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try31-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 T0314.try31-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try31-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try32-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try32-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try32-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try32-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 T0314.try32-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try32-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try33-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try33-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try33-opt2-fix-loop.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try33-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try33-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 T0314.try33-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try33-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try34-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try34-opt1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try34-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try34-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try34-opt2.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try34-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try35-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try35-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try35-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try35-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try35-opt2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try35-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try36-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try36-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try36-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try36-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try36-opt2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try36-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try37-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try37-opt1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try37-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try37-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try37-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try37-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 T0314.try38-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try38-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try38-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try38-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try38-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try38-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try39-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try39-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try39-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try39-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 T0314.try39-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try39-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try40-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try40-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try40-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try40-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try40-opt2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try40-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try41-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try41-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try41-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try41-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try41-opt2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try41-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 T0314.try42-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try42-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try42-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try42-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try42-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try42-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try43-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try43-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try43-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try43-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 T0314.try43-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try43-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try44-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try44-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try44-opt2-fix-loop.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try44-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try44-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 T0314.try44-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try45-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try45-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try45-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try45-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try45-opt2.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try45-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try46-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try46-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try46-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try46-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 T0314.try46-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try46-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try47-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try47-opt1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try47-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try47-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try47-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try47-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try48-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try48-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try48-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try48-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 T0314.try48-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try48-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try49-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try49-opt1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try49-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try49-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 T0314.try49-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try49-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try50-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try50-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try50-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try50-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0314.try50-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try50-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0314.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1294939310.pdb -s /var/tmp/to_scwrl_1294939310.seq -o /var/tmp/from_scwrl_1294939310.pdb > /var/tmp/scwrl_1294939310.log sh: /var/tmp/scwrl_1294939310.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1294939310.pdb or /var/tmp/from_scwrl_1294939310.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1294939310_b.pdb or decoys//var/tmp/from_scwrl_1294939310_b.pdb.gz for input Trying /var/tmp/from_scwrl_1294939310_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1294939310_b.pdb or /var/tmp/from_scwrl_1294939310_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1294939310_a.pdb or decoys//var/tmp/from_scwrl_1294939310_a.pdb.gz for input Trying /var/tmp/from_scwrl_1294939310_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1294939310_a.pdb or /var/tmp/from_scwrl_1294939310_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1294939310.pdb or /var/tmp/from_scwrl_1294939310_b.pdb or /var/tmp/from_scwrl_1294939310_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1940406332.pdb -s /var/tmp/to_scwrl_1940406332.seq -o /var/tmp/from_scwrl_1940406332.pdb > /var/tmp/scwrl_1940406332.log sh: /var/tmp/scwrl_1940406332.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1940406332.pdb or /var/tmp/from_scwrl_1940406332.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1940406332_b.pdb or decoys//var/tmp/from_scwrl_1940406332_b.pdb.gz for input Trying /var/tmp/from_scwrl_1940406332_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1940406332_b.pdb or /var/tmp/from_scwrl_1940406332_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1940406332_a.pdb or decoys//var/tmp/from_scwrl_1940406332_a.pdb.gz for input Trying /var/tmp/from_scwrl_1940406332_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1940406332_a.pdb or /var/tmp/from_scwrl_1940406332_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1940406332.pdb or /var/tmp/from_scwrl_1940406332_b.pdb or /var/tmp/from_scwrl_1940406332_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1352110422.pdb -s /var/tmp/to_scwrl_1352110422.seq -o /var/tmp/from_scwrl_1352110422.pdb > /var/tmp/scwrl_1352110422.log sh: /var/tmp/scwrl_1352110422.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1352110422.pdb or /var/tmp/from_scwrl_1352110422.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1352110422_b.pdb or decoys//var/tmp/from_scwrl_1352110422_b.pdb.gz for input Trying /var/tmp/from_scwrl_1352110422_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1352110422_b.pdb or /var/tmp/from_scwrl_1352110422_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1352110422_a.pdb or decoys//var/tmp/from_scwrl_1352110422_a.pdb.gz for input Trying /var/tmp/from_scwrl_1352110422_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1352110422_a.pdb or /var/tmp/from_scwrl_1352110422_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1352110422.pdb or /var/tmp/from_scwrl_1352110422_b.pdb or /var/tmp/from_scwrl_1352110422_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1906016640.pdb -s /var/tmp/to_scwrl_1906016640.seq -o /var/tmp/from_scwrl_1906016640.pdb > /var/tmp/scwrl_1906016640.log sh: /var/tmp/scwrl_1906016640.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1906016640.pdb or /var/tmp/from_scwrl_1906016640.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1906016640_b.pdb or decoys//var/tmp/from_scwrl_1906016640_b.pdb.gz for input Trying /var/tmp/from_scwrl_1906016640_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1906016640_b.pdb or /var/tmp/from_scwrl_1906016640_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1906016640_a.pdb or decoys//var/tmp/from_scwrl_1906016640_a.pdb.gz for input Trying /var/tmp/from_scwrl_1906016640_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1906016640_a.pdb or /var/tmp/from_scwrl_1906016640_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1906016640.pdb or /var/tmp/from_scwrl_1906016640_b.pdb or /var/tmp/from_scwrl_1906016640_a.pdb Error: no new SCWRL conformation added # 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 100 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_439262352.pdb -s /var/tmp/to_scwrl_439262352.seq -o /var/tmp/from_scwrl_439262352.pdb > /var/tmp/scwrl_439262352.log sh: /var/tmp/scwrl_439262352.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_439262352.pdb or /var/tmp/from_scwrl_439262352.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_439262352_b.pdb or decoys//var/tmp/from_scwrl_439262352_b.pdb.gz for input Trying /var/tmp/from_scwrl_439262352_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_439262352_b.pdb or /var/tmp/from_scwrl_439262352_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_439262352_a.pdb or decoys//var/tmp/from_scwrl_439262352_a.pdb.gz for input Trying /var/tmp/from_scwrl_439262352_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_439262352_a.pdb or /var/tmp/from_scwrl_439262352_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_439262352.pdb or /var/tmp/from_scwrl_439262352_b.pdb or /var/tmp/from_scwrl_439262352_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_883623475.pdb -s /var/tmp/to_scwrl_883623475.seq -o /var/tmp/from_scwrl_883623475.pdb > /var/tmp/scwrl_883623475.log sh: /var/tmp/scwrl_883623475.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_883623475.pdb or /var/tmp/from_scwrl_883623475.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_883623475_b.pdb or decoys//var/tmp/from_scwrl_883623475_b.pdb.gz for input Trying /var/tmp/from_scwrl_883623475_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_883623475_b.pdb or /var/tmp/from_scwrl_883623475_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_883623475_a.pdb or decoys//var/tmp/from_scwrl_883623475_a.pdb.gz for input Trying /var/tmp/from_scwrl_883623475_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_883623475_a.pdb or /var/tmp/from_scwrl_883623475_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_883623475.pdb or /var/tmp/from_scwrl_883623475_b.pdb or /var/tmp/from_scwrl_883623475_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_742194882.pdb -s /var/tmp/to_scwrl_742194882.seq -o /var/tmp/from_scwrl_742194882.pdb > /var/tmp/scwrl_742194882.log sh: /var/tmp/scwrl_742194882.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_742194882.pdb or /var/tmp/from_scwrl_742194882.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_742194882_b.pdb or decoys//var/tmp/from_scwrl_742194882_b.pdb.gz for input Trying /var/tmp/from_scwrl_742194882_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_742194882_b.pdb or /var/tmp/from_scwrl_742194882_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_742194882_a.pdb or decoys//var/tmp/from_scwrl_742194882_a.pdb.gz for input Trying /var/tmp/from_scwrl_742194882_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_742194882_a.pdb or /var/tmp/from_scwrl_742194882_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_742194882.pdb or /var/tmp/from_scwrl_742194882_b.pdb or /var/tmp/from_scwrl_742194882_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_572205851.pdb -s /var/tmp/to_scwrl_572205851.seq -o /var/tmp/from_scwrl_572205851.pdb > /var/tmp/scwrl_572205851.log sh: /var/tmp/scwrl_572205851.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_572205851.pdb or /var/tmp/from_scwrl_572205851.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_572205851_b.pdb or decoys//var/tmp/from_scwrl_572205851_b.pdb.gz for input Trying /var/tmp/from_scwrl_572205851_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_572205851_b.pdb or /var/tmp/from_scwrl_572205851_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_572205851_a.pdb or decoys//var/tmp/from_scwrl_572205851_a.pdb.gz for input Trying /var/tmp/from_scwrl_572205851_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_572205851_a.pdb or /var/tmp/from_scwrl_572205851_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_572205851.pdb or /var/tmp/from_scwrl_572205851_b.pdb or /var/tmp/from_scwrl_572205851_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1917536310.pdb -s /var/tmp/to_scwrl_1917536310.seq -o /var/tmp/from_scwrl_1917536310.pdb > /var/tmp/scwrl_1917536310.log sh: /var/tmp/scwrl_1917536310.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1917536310.pdb or /var/tmp/from_scwrl_1917536310.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1917536310_b.pdb or decoys//var/tmp/from_scwrl_1917536310_b.pdb.gz for input Trying /var/tmp/from_scwrl_1917536310_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1917536310_b.pdb or /var/tmp/from_scwrl_1917536310_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1917536310_a.pdb or decoys//var/tmp/from_scwrl_1917536310_a.pdb.gz for input Trying /var/tmp/from_scwrl_1917536310_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1917536310_a.pdb or /var/tmp/from_scwrl_1917536310_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1917536310.pdb or /var/tmp/from_scwrl_1917536310_b.pdb or /var/tmp/from_scwrl_1917536310_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1587816285.pdb -s /var/tmp/to_scwrl_1587816285.seq -o /var/tmp/from_scwrl_1587816285.pdb > /var/tmp/scwrl_1587816285.log sh: /var/tmp/scwrl_1587816285.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1587816285.pdb or /var/tmp/from_scwrl_1587816285.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1587816285_b.pdb or decoys//var/tmp/from_scwrl_1587816285_b.pdb.gz for input Trying /var/tmp/from_scwrl_1587816285_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1587816285_b.pdb or /var/tmp/from_scwrl_1587816285_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1587816285_a.pdb or decoys//var/tmp/from_scwrl_1587816285_a.pdb.gz for input Trying /var/tmp/from_scwrl_1587816285_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1587816285_a.pdb or /var/tmp/from_scwrl_1587816285_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1587816285.pdb or /var/tmp/from_scwrl_1587816285_b.pdb or /var/tmp/from_scwrl_1587816285_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1750765849.pdb -s /var/tmp/to_scwrl_1750765849.seq -o /var/tmp/from_scwrl_1750765849.pdb > /var/tmp/scwrl_1750765849.log sh: /var/tmp/scwrl_1750765849.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1750765849.pdb or /var/tmp/from_scwrl_1750765849.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1750765849_b.pdb or decoys//var/tmp/from_scwrl_1750765849_b.pdb.gz for input Trying /var/tmp/from_scwrl_1750765849_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1750765849_b.pdb or /var/tmp/from_scwrl_1750765849_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1750765849_a.pdb or decoys//var/tmp/from_scwrl_1750765849_a.pdb.gz for input Trying /var/tmp/from_scwrl_1750765849_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1750765849_a.pdb or /var/tmp/from_scwrl_1750765849_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1750765849.pdb or /var/tmp/from_scwrl_1750765849_b.pdb or /var/tmp/from_scwrl_1750765849_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1320291419.pdb -s /var/tmp/to_scwrl_1320291419.seq -o /var/tmp/from_scwrl_1320291419.pdb > /var/tmp/scwrl_1320291419.log sh: /var/tmp/scwrl_1320291419.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1320291419.pdb or /var/tmp/from_scwrl_1320291419.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1320291419_b.pdb or decoys//var/tmp/from_scwrl_1320291419_b.pdb.gz for input Trying /var/tmp/from_scwrl_1320291419_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1320291419_b.pdb or /var/tmp/from_scwrl_1320291419_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1320291419_a.pdb or decoys//var/tmp/from_scwrl_1320291419_a.pdb.gz for input Trying /var/tmp/from_scwrl_1320291419_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1320291419_a.pdb or /var/tmp/from_scwrl_1320291419_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1320291419.pdb or /var/tmp/from_scwrl_1320291419_b.pdb or /var/tmp/from_scwrl_1320291419_a.pdb Error: no new SCWRL conformation added # 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 50 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1280381198.pdb -s /var/tmp/to_scwrl_1280381198.seq -o /var/tmp/from_scwrl_1280381198.pdb > /var/tmp/scwrl_1280381198.log sh: /var/tmp/scwrl_1280381198.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1280381198.pdb or /var/tmp/from_scwrl_1280381198.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280381198_b.pdb or decoys//var/tmp/from_scwrl_1280381198_b.pdb.gz for input Trying /var/tmp/from_scwrl_1280381198_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280381198_b.pdb or /var/tmp/from_scwrl_1280381198_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280381198_a.pdb or decoys//var/tmp/from_scwrl_1280381198_a.pdb.gz for input Trying /var/tmp/from_scwrl_1280381198_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280381198_a.pdb or /var/tmp/from_scwrl_1280381198_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1280381198.pdb or /var/tmp/from_scwrl_1280381198_b.pdb or /var/tmp/from_scwrl_1280381198_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1984992459.pdb -s /var/tmp/to_scwrl_1984992459.seq -o /var/tmp/from_scwrl_1984992459.pdb > /var/tmp/scwrl_1984992459.log sh: /var/tmp/scwrl_1984992459.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1984992459.pdb or /var/tmp/from_scwrl_1984992459.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1984992459_b.pdb or decoys//var/tmp/from_scwrl_1984992459_b.pdb.gz for input Trying /var/tmp/from_scwrl_1984992459_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1984992459_b.pdb or /var/tmp/from_scwrl_1984992459_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1984992459_a.pdb or decoys//var/tmp/from_scwrl_1984992459_a.pdb.gz for input Trying /var/tmp/from_scwrl_1984992459_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1984992459_a.pdb or /var/tmp/from_scwrl_1984992459_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1984992459.pdb or /var/tmp/from_scwrl_1984992459_b.pdb or /var/tmp/from_scwrl_1984992459_a.pdb Error: no new SCWRL conformation added # 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 73 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_301008652.pdb -s /var/tmp/to_scwrl_301008652.seq -o /var/tmp/from_scwrl_301008652.pdb > /var/tmp/scwrl_301008652.log sh: /var/tmp/scwrl_301008652.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_301008652.pdb or /var/tmp/from_scwrl_301008652.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_301008652_b.pdb or decoys//var/tmp/from_scwrl_301008652_b.pdb.gz for input Trying /var/tmp/from_scwrl_301008652_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_301008652_b.pdb or /var/tmp/from_scwrl_301008652_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_301008652_a.pdb or decoys//var/tmp/from_scwrl_301008652_a.pdb.gz for input Trying /var/tmp/from_scwrl_301008652_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_301008652_a.pdb or /var/tmp/from_scwrl_301008652_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_301008652.pdb or /var/tmp/from_scwrl_301008652_b.pdb or /var/tmp/from_scwrl_301008652_a.pdb Error: no new SCWRL conformation added # 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 70 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2121505633.pdb -s /var/tmp/to_scwrl_2121505633.seq -o /var/tmp/from_scwrl_2121505633.pdb > /var/tmp/scwrl_2121505633.log sh: /var/tmp/scwrl_2121505633.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2121505633.pdb or /var/tmp/from_scwrl_2121505633.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2121505633_b.pdb or decoys//var/tmp/from_scwrl_2121505633_b.pdb.gz for input Trying /var/tmp/from_scwrl_2121505633_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2121505633_b.pdb or /var/tmp/from_scwrl_2121505633_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2121505633_a.pdb or decoys//var/tmp/from_scwrl_2121505633_a.pdb.gz for input Trying /var/tmp/from_scwrl_2121505633_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2121505633_a.pdb or /var/tmp/from_scwrl_2121505633_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2121505633.pdb or /var/tmp/from_scwrl_2121505633_b.pdb or /var/tmp/from_scwrl_2121505633_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1072279019.pdb -s /var/tmp/to_scwrl_1072279019.seq -o /var/tmp/from_scwrl_1072279019.pdb > /var/tmp/scwrl_1072279019.log sh: /var/tmp/scwrl_1072279019.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1072279019.pdb or /var/tmp/from_scwrl_1072279019.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1072279019_b.pdb or decoys//var/tmp/from_scwrl_1072279019_b.pdb.gz for input Trying /var/tmp/from_scwrl_1072279019_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1072279019_b.pdb or /var/tmp/from_scwrl_1072279019_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1072279019_a.pdb or decoys//var/tmp/from_scwrl_1072279019_a.pdb.gz for input Trying /var/tmp/from_scwrl_1072279019_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1072279019_a.pdb or /var/tmp/from_scwrl_1072279019_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1072279019.pdb or /var/tmp/from_scwrl_1072279019_b.pdb or /var/tmp/from_scwrl_1072279019_a.pdb Error: no new SCWRL conformation added # 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 96 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_945539374.pdb -s /var/tmp/to_scwrl_945539374.seq -o /var/tmp/from_scwrl_945539374.pdb > /var/tmp/scwrl_945539374.log sh: /var/tmp/scwrl_945539374.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_945539374.pdb or /var/tmp/from_scwrl_945539374.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945539374_b.pdb or decoys//var/tmp/from_scwrl_945539374_b.pdb.gz for input Trying /var/tmp/from_scwrl_945539374_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_945539374_b.pdb or /var/tmp/from_scwrl_945539374_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945539374_a.pdb or decoys//var/tmp/from_scwrl_945539374_a.pdb.gz for input Trying /var/tmp/from_scwrl_945539374_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_945539374_a.pdb or /var/tmp/from_scwrl_945539374_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_945539374.pdb or /var/tmp/from_scwrl_945539374_b.pdb or /var/tmp/from_scwrl_945539374_a.pdb Error: no new SCWRL conformation added # 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 85 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1518819056.pdb -s /var/tmp/to_scwrl_1518819056.seq -o /var/tmp/from_scwrl_1518819056.pdb > /var/tmp/scwrl_1518819056.log sh: /var/tmp/scwrl_1518819056.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1518819056.pdb or /var/tmp/from_scwrl_1518819056.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1518819056_b.pdb or decoys//var/tmp/from_scwrl_1518819056_b.pdb.gz for input Trying /var/tmp/from_scwrl_1518819056_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1518819056_b.pdb or /var/tmp/from_scwrl_1518819056_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1518819056_a.pdb or decoys//var/tmp/from_scwrl_1518819056_a.pdb.gz for input Trying /var/tmp/from_scwrl_1518819056_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1518819056_a.pdb or /var/tmp/from_scwrl_1518819056_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1518819056.pdb or /var/tmp/from_scwrl_1518819056_b.pdb or /var/tmp/from_scwrl_1518819056_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_324892886.pdb -s /var/tmp/to_scwrl_324892886.seq -o /var/tmp/from_scwrl_324892886.pdb > /var/tmp/scwrl_324892886.log sh: /var/tmp/scwrl_324892886.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_324892886.pdb or /var/tmp/from_scwrl_324892886.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_324892886_b.pdb or decoys//var/tmp/from_scwrl_324892886_b.pdb.gz for input Trying /var/tmp/from_scwrl_324892886_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_324892886_b.pdb or /var/tmp/from_scwrl_324892886_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_324892886_a.pdb or decoys//var/tmp/from_scwrl_324892886_a.pdb.gz for input Trying /var/tmp/from_scwrl_324892886_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_324892886_a.pdb or /var/tmp/from_scwrl_324892886_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_324892886.pdb or /var/tmp/from_scwrl_324892886_b.pdb or /var/tmp/from_scwrl_324892886_a.pdb Error: no new SCWRL conformation added # 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 85 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1098464288.pdb -s /var/tmp/to_scwrl_1098464288.seq -o /var/tmp/from_scwrl_1098464288.pdb > /var/tmp/scwrl_1098464288.log sh: /var/tmp/scwrl_1098464288.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1098464288.pdb or /var/tmp/from_scwrl_1098464288.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1098464288_b.pdb or decoys//var/tmp/from_scwrl_1098464288_b.pdb.gz for input Trying /var/tmp/from_scwrl_1098464288_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1098464288_b.pdb or /var/tmp/from_scwrl_1098464288_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1098464288_a.pdb or decoys//var/tmp/from_scwrl_1098464288_a.pdb.gz for input Trying /var/tmp/from_scwrl_1098464288_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1098464288_a.pdb or /var/tmp/from_scwrl_1098464288_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1098464288.pdb or /var/tmp/from_scwrl_1098464288_b.pdb or /var/tmp/from_scwrl_1098464288_a.pdb Error: no new SCWRL conformation added # 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 85 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1898986672.pdb -s /var/tmp/to_scwrl_1898986672.seq -o /var/tmp/from_scwrl_1898986672.pdb > /var/tmp/scwrl_1898986672.log sh: /var/tmp/scwrl_1898986672.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1898986672.pdb or /var/tmp/from_scwrl_1898986672.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1898986672_b.pdb or decoys//var/tmp/from_scwrl_1898986672_b.pdb.gz for input Trying /var/tmp/from_scwrl_1898986672_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1898986672_b.pdb or /var/tmp/from_scwrl_1898986672_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1898986672_a.pdb or decoys//var/tmp/from_scwrl_1898986672_a.pdb.gz for input Trying /var/tmp/from_scwrl_1898986672_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1898986672_a.pdb or /var/tmp/from_scwrl_1898986672_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1898986672.pdb or /var/tmp/from_scwrl_1898986672_b.pdb or /var/tmp/from_scwrl_1898986672_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1221198987.pdb -s /var/tmp/to_scwrl_1221198987.seq -o /var/tmp/from_scwrl_1221198987.pdb > /var/tmp/scwrl_1221198987.log sh: /var/tmp/scwrl_1221198987.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1221198987.pdb or /var/tmp/from_scwrl_1221198987.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1221198987_b.pdb or decoys//var/tmp/from_scwrl_1221198987_b.pdb.gz for input Trying /var/tmp/from_scwrl_1221198987_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1221198987_b.pdb or /var/tmp/from_scwrl_1221198987_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1221198987_a.pdb or decoys//var/tmp/from_scwrl_1221198987_a.pdb.gz for input Trying /var/tmp/from_scwrl_1221198987_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1221198987_a.pdb or /var/tmp/from_scwrl_1221198987_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1221198987.pdb or /var/tmp/from_scwrl_1221198987_b.pdb or /var/tmp/from_scwrl_1221198987_a.pdb Error: no new SCWRL conformation added # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_484928326.pdb -s /var/tmp/to_scwrl_484928326.seq -o /var/tmp/from_scwrl_484928326.pdb > /var/tmp/scwrl_484928326.log sh: /var/tmp/scwrl_484928326.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_484928326.pdb or /var/tmp/from_scwrl_484928326.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_484928326_b.pdb or decoys//var/tmp/from_scwrl_484928326_b.pdb.gz for input Trying /var/tmp/from_scwrl_484928326_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_484928326_b.pdb or /var/tmp/from_scwrl_484928326_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_484928326_a.pdb or decoys//var/tmp/from_scwrl_484928326_a.pdb.gz for input Trying /var/tmp/from_scwrl_484928326_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_484928326_a.pdb or /var/tmp/from_scwrl_484928326_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_484928326.pdb or /var/tmp/from_scwrl_484928326_b.pdb or /var/tmp/from_scwrl_484928326_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_164881909.pdb -s /var/tmp/to_scwrl_164881909.seq -o /var/tmp/from_scwrl_164881909.pdb > /var/tmp/scwrl_164881909.log sh: /var/tmp/scwrl_164881909.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_164881909.pdb or /var/tmp/from_scwrl_164881909.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_164881909_b.pdb or decoys//var/tmp/from_scwrl_164881909_b.pdb.gz for input Trying /var/tmp/from_scwrl_164881909_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_164881909_b.pdb or /var/tmp/from_scwrl_164881909_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_164881909_a.pdb or decoys//var/tmp/from_scwrl_164881909_a.pdb.gz for input Trying /var/tmp/from_scwrl_164881909_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_164881909_a.pdb or /var/tmp/from_scwrl_164881909_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_164881909.pdb or /var/tmp/from_scwrl_164881909_b.pdb or /var/tmp/from_scwrl_164881909_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2075185317.pdb -s /var/tmp/to_scwrl_2075185317.seq -o /var/tmp/from_scwrl_2075185317.pdb > /var/tmp/scwrl_2075185317.log sh: /var/tmp/scwrl_2075185317.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2075185317.pdb or /var/tmp/from_scwrl_2075185317.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2075185317_b.pdb or decoys//var/tmp/from_scwrl_2075185317_b.pdb.gz for input Trying /var/tmp/from_scwrl_2075185317_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2075185317_b.pdb or /var/tmp/from_scwrl_2075185317_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2075185317_a.pdb or decoys//var/tmp/from_scwrl_2075185317_a.pdb.gz for input Trying /var/tmp/from_scwrl_2075185317_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2075185317_a.pdb or /var/tmp/from_scwrl_2075185317_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2075185317.pdb or /var/tmp/from_scwrl_2075185317_b.pdb or /var/tmp/from_scwrl_2075185317_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1335228064.pdb -s /var/tmp/to_scwrl_1335228064.seq -o /var/tmp/from_scwrl_1335228064.pdb > /var/tmp/scwrl_1335228064.log sh: /var/tmp/scwrl_1335228064.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1335228064.pdb or /var/tmp/from_scwrl_1335228064.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1335228064_b.pdb or decoys//var/tmp/from_scwrl_1335228064_b.pdb.gz for input Trying /var/tmp/from_scwrl_1335228064_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1335228064_b.pdb or /var/tmp/from_scwrl_1335228064_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1335228064_a.pdb or decoys//var/tmp/from_scwrl_1335228064_a.pdb.gz for input Trying /var/tmp/from_scwrl_1335228064_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1335228064_a.pdb or /var/tmp/from_scwrl_1335228064_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1335228064.pdb or /var/tmp/from_scwrl_1335228064_b.pdb or /var/tmp/from_scwrl_1335228064_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1281120856.pdb -s /var/tmp/to_scwrl_1281120856.seq -o /var/tmp/from_scwrl_1281120856.pdb > /var/tmp/scwrl_1281120856.log sh: /var/tmp/scwrl_1281120856.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1281120856.pdb or /var/tmp/from_scwrl_1281120856.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1281120856_b.pdb or decoys//var/tmp/from_scwrl_1281120856_b.pdb.gz for input Trying /var/tmp/from_scwrl_1281120856_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1281120856_b.pdb or /var/tmp/from_scwrl_1281120856_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1281120856_a.pdb or decoys//var/tmp/from_scwrl_1281120856_a.pdb.gz for input Trying /var/tmp/from_scwrl_1281120856_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1281120856_a.pdb or /var/tmp/from_scwrl_1281120856_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1281120856.pdb or /var/tmp/from_scwrl_1281120856_b.pdb or /var/tmp/from_scwrl_1281120856_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1096970456.pdb -s /var/tmp/to_scwrl_1096970456.seq -o /var/tmp/from_scwrl_1096970456.pdb > /var/tmp/scwrl_1096970456.log sh: /var/tmp/scwrl_1096970456.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1096970456.pdb or /var/tmp/from_scwrl_1096970456.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1096970456_b.pdb or decoys//var/tmp/from_scwrl_1096970456_b.pdb.gz for input Trying /var/tmp/from_scwrl_1096970456_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1096970456_b.pdb or /var/tmp/from_scwrl_1096970456_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1096970456_a.pdb or decoys//var/tmp/from_scwrl_1096970456_a.pdb.gz for input Trying /var/tmp/from_scwrl_1096970456_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1096970456_a.pdb or /var/tmp/from_scwrl_1096970456_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1096970456.pdb or /var/tmp/from_scwrl_1096970456_b.pdb or /var/tmp/from_scwrl_1096970456_a.pdb Error: no new SCWRL conformation added # 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 100 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1757141358.pdb -s /var/tmp/to_scwrl_1757141358.seq -o /var/tmp/from_scwrl_1757141358.pdb > /var/tmp/scwrl_1757141358.log sh: /var/tmp/scwrl_1757141358.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1757141358.pdb or /var/tmp/from_scwrl_1757141358.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1757141358_b.pdb or decoys//var/tmp/from_scwrl_1757141358_b.pdb.gz for input Trying /var/tmp/from_scwrl_1757141358_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1757141358_b.pdb or /var/tmp/from_scwrl_1757141358_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1757141358_a.pdb or decoys//var/tmp/from_scwrl_1757141358_a.pdb.gz for input Trying /var/tmp/from_scwrl_1757141358_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1757141358_a.pdb or /var/tmp/from_scwrl_1757141358_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1757141358.pdb or /var/tmp/from_scwrl_1757141358_b.pdb or /var/tmp/from_scwrl_1757141358_a.pdb Error: no new SCWRL conformation added # 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 85 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1829248147.pdb -s /var/tmp/to_scwrl_1829248147.seq -o /var/tmp/from_scwrl_1829248147.pdb > /var/tmp/scwrl_1829248147.log sh: /var/tmp/scwrl_1829248147.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1829248147.pdb or /var/tmp/from_scwrl_1829248147.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1829248147_b.pdb or decoys//var/tmp/from_scwrl_1829248147_b.pdb.gz for input Trying /var/tmp/from_scwrl_1829248147_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1829248147_b.pdb or /var/tmp/from_scwrl_1829248147_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1829248147_a.pdb or decoys//var/tmp/from_scwrl_1829248147_a.pdb.gz for input Trying /var/tmp/from_scwrl_1829248147_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1829248147_a.pdb or /var/tmp/from_scwrl_1829248147_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1829248147.pdb or /var/tmp/from_scwrl_1829248147_b.pdb or /var/tmp/from_scwrl_1829248147_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_244426121.pdb -s /var/tmp/to_scwrl_244426121.seq -o /var/tmp/from_scwrl_244426121.pdb > /var/tmp/scwrl_244426121.log sh: /var/tmp/scwrl_244426121.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_244426121.pdb or /var/tmp/from_scwrl_244426121.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_244426121_b.pdb or decoys//var/tmp/from_scwrl_244426121_b.pdb.gz for input Trying /var/tmp/from_scwrl_244426121_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_244426121_b.pdb or /var/tmp/from_scwrl_244426121_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_244426121_a.pdb or decoys//var/tmp/from_scwrl_244426121_a.pdb.gz for input Trying /var/tmp/from_scwrl_244426121_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_244426121_a.pdb or /var/tmp/from_scwrl_244426121_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_244426121.pdb or /var/tmp/from_scwrl_244426121_b.pdb or /var/tmp/from_scwrl_244426121_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1550064043.pdb -s /var/tmp/to_scwrl_1550064043.seq -o /var/tmp/from_scwrl_1550064043.pdb > /var/tmp/scwrl_1550064043.log sh: /var/tmp/scwrl_1550064043.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1550064043.pdb or /var/tmp/from_scwrl_1550064043.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1550064043_b.pdb or decoys//var/tmp/from_scwrl_1550064043_b.pdb.gz for input Trying /var/tmp/from_scwrl_1550064043_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1550064043_b.pdb or /var/tmp/from_scwrl_1550064043_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1550064043_a.pdb or decoys//var/tmp/from_scwrl_1550064043_a.pdb.gz for input Trying /var/tmp/from_scwrl_1550064043_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1550064043_a.pdb or /var/tmp/from_scwrl_1550064043_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1550064043.pdb or /var/tmp/from_scwrl_1550064043_b.pdb or /var/tmp/from_scwrl_1550064043_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1033874924.pdb -s /var/tmp/to_scwrl_1033874924.seq -o /var/tmp/from_scwrl_1033874924.pdb > /var/tmp/scwrl_1033874924.log sh: /var/tmp/scwrl_1033874924.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1033874924.pdb or /var/tmp/from_scwrl_1033874924.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1033874924_b.pdb or decoys//var/tmp/from_scwrl_1033874924_b.pdb.gz for input Trying /var/tmp/from_scwrl_1033874924_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1033874924_b.pdb or /var/tmp/from_scwrl_1033874924_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1033874924_a.pdb or decoys//var/tmp/from_scwrl_1033874924_a.pdb.gz for input Trying /var/tmp/from_scwrl_1033874924_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1033874924_a.pdb or /var/tmp/from_scwrl_1033874924_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1033874924.pdb or /var/tmp/from_scwrl_1033874924_b.pdb or /var/tmp/from_scwrl_1033874924_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2959114.pdb -s /var/tmp/to_scwrl_2959114.seq -o /var/tmp/from_scwrl_2959114.pdb > /var/tmp/scwrl_2959114.log sh: /var/tmp/scwrl_2959114.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2959114.pdb or /var/tmp/from_scwrl_2959114.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2959114_b.pdb or decoys//var/tmp/from_scwrl_2959114_b.pdb.gz for input Trying /var/tmp/from_scwrl_2959114_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2959114_b.pdb or /var/tmp/from_scwrl_2959114_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2959114_a.pdb or decoys//var/tmp/from_scwrl_2959114_a.pdb.gz for input Trying /var/tmp/from_scwrl_2959114_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2959114_a.pdb or /var/tmp/from_scwrl_2959114_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2959114.pdb or /var/tmp/from_scwrl_2959114_b.pdb or /var/tmp/from_scwrl_2959114_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1989326396.pdb -s /var/tmp/to_scwrl_1989326396.seq -o /var/tmp/from_scwrl_1989326396.pdb > /var/tmp/scwrl_1989326396.log sh: /var/tmp/scwrl_1989326396.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1989326396.pdb or /var/tmp/from_scwrl_1989326396.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989326396_b.pdb or decoys//var/tmp/from_scwrl_1989326396_b.pdb.gz for input Trying /var/tmp/from_scwrl_1989326396_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989326396_b.pdb or /var/tmp/from_scwrl_1989326396_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989326396_a.pdb or decoys//var/tmp/from_scwrl_1989326396_a.pdb.gz for input Trying /var/tmp/from_scwrl_1989326396_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989326396_a.pdb or /var/tmp/from_scwrl_1989326396_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1989326396.pdb or /var/tmp/from_scwrl_1989326396_b.pdb or /var/tmp/from_scwrl_1989326396_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1917498398.pdb -s /var/tmp/to_scwrl_1917498398.seq -o /var/tmp/from_scwrl_1917498398.pdb > /var/tmp/scwrl_1917498398.log sh: /var/tmp/scwrl_1917498398.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1917498398.pdb or /var/tmp/from_scwrl_1917498398.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1917498398_b.pdb or decoys//var/tmp/from_scwrl_1917498398_b.pdb.gz for input Trying /var/tmp/from_scwrl_1917498398_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1917498398_b.pdb or /var/tmp/from_scwrl_1917498398_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1917498398_a.pdb or decoys//var/tmp/from_scwrl_1917498398_a.pdb.gz for input Trying /var/tmp/from_scwrl_1917498398_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1917498398_a.pdb or /var/tmp/from_scwrl_1917498398_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1917498398.pdb or /var/tmp/from_scwrl_1917498398_b.pdb or /var/tmp/from_scwrl_1917498398_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_745153996.pdb -s /var/tmp/to_scwrl_745153996.seq -o /var/tmp/from_scwrl_745153996.pdb > /var/tmp/scwrl_745153996.log sh: /var/tmp/scwrl_745153996.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_745153996.pdb or /var/tmp/from_scwrl_745153996.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_745153996_b.pdb or decoys//var/tmp/from_scwrl_745153996_b.pdb.gz for input Trying /var/tmp/from_scwrl_745153996_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_745153996_b.pdb or /var/tmp/from_scwrl_745153996_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_745153996_a.pdb or decoys//var/tmp/from_scwrl_745153996_a.pdb.gz for input Trying /var/tmp/from_scwrl_745153996_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_745153996_a.pdb or /var/tmp/from_scwrl_745153996_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_745153996.pdb or /var/tmp/from_scwrl_745153996_b.pdb or /var/tmp/from_scwrl_745153996_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_414048600.pdb -s /var/tmp/to_scwrl_414048600.seq -o /var/tmp/from_scwrl_414048600.pdb > /var/tmp/scwrl_414048600.log sh: /var/tmp/scwrl_414048600.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_414048600.pdb or /var/tmp/from_scwrl_414048600.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_414048600_b.pdb or decoys//var/tmp/from_scwrl_414048600_b.pdb.gz for input Trying /var/tmp/from_scwrl_414048600_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_414048600_b.pdb or /var/tmp/from_scwrl_414048600_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_414048600_a.pdb or decoys//var/tmp/from_scwrl_414048600_a.pdb.gz for input Trying /var/tmp/from_scwrl_414048600_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_414048600_a.pdb or /var/tmp/from_scwrl_414048600_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_414048600.pdb or /var/tmp/from_scwrl_414048600_b.pdb or /var/tmp/from_scwrl_414048600_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 T0314 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1687551061.pdb -s /var/tmp/to_scwrl_1687551061.seq -o /var/tmp/from_scwrl_1687551061.pdb > /var/tmp/scwrl_1687551061.log sh: /var/tmp/scwrl_1687551061.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1687551061.pdb or /var/tmp/from_scwrl_1687551061.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1687551061_b.pdb or decoys//var/tmp/from_scwrl_1687551061_b.pdb.gz for input Trying /var/tmp/from_scwrl_1687551061_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1687551061_b.pdb or /var/tmp/from_scwrl_1687551061_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1687551061_a.pdb or decoys//var/tmp/from_scwrl_1687551061_a.pdb.gz for input Trying /var/tmp/from_scwrl_1687551061_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1687551061_a.pdb or /var/tmp/from_scwrl_1687551061_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1687551061.pdb or /var/tmp/from_scwrl_1687551061_b.pdb or /var/tmp/from_scwrl_1687551061_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 T0314 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_185486635.pdb -s /var/tmp/to_scwrl_185486635.seq -o /var/tmp/from_scwrl_185486635.pdb > /var/tmp/scwrl_185486635.log sh: /var/tmp/scwrl_185486635.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_185486635.pdb or /var/tmp/from_scwrl_185486635.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_185486635_b.pdb or decoys//var/tmp/from_scwrl_185486635_b.pdb.gz for input Trying /var/tmp/from_scwrl_185486635_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_185486635_b.pdb or /var/tmp/from_scwrl_185486635_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_185486635_a.pdb or decoys//var/tmp/from_scwrl_185486635_a.pdb.gz for input Trying /var/tmp/from_scwrl_185486635_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_185486635_a.pdb or /var/tmp/from_scwrl_185486635_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_185486635.pdb or /var/tmp/from_scwrl_185486635_b.pdb or /var/tmp/from_scwrl_185486635_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 T0314 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_17330802.pdb -s /var/tmp/to_scwrl_17330802.seq -o /var/tmp/from_scwrl_17330802.pdb > /var/tmp/scwrl_17330802.log sh: /var/tmp/scwrl_17330802.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_17330802.pdb or /var/tmp/from_scwrl_17330802.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_17330802_b.pdb or decoys//var/tmp/from_scwrl_17330802_b.pdb.gz for input Trying /var/tmp/from_scwrl_17330802_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_17330802_b.pdb or /var/tmp/from_scwrl_17330802_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_17330802_a.pdb or decoys//var/tmp/from_scwrl_17330802_a.pdb.gz for input Trying /var/tmp/from_scwrl_17330802_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_17330802_a.pdb or /var/tmp/from_scwrl_17330802_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_17330802.pdb or /var/tmp/from_scwrl_17330802_b.pdb or /var/tmp/from_scwrl_17330802_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 T0314 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_860358834.pdb -s /var/tmp/to_scwrl_860358834.seq -o /var/tmp/from_scwrl_860358834.pdb > /var/tmp/scwrl_860358834.log sh: /var/tmp/scwrl_860358834.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_860358834.pdb or /var/tmp/from_scwrl_860358834.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_860358834_b.pdb or decoys//var/tmp/from_scwrl_860358834_b.pdb.gz for input Trying /var/tmp/from_scwrl_860358834_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_860358834_b.pdb or /var/tmp/from_scwrl_860358834_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_860358834_a.pdb or decoys//var/tmp/from_scwrl_860358834_a.pdb.gz for input Trying /var/tmp/from_scwrl_860358834_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_860358834_a.pdb or /var/tmp/from_scwrl_860358834_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_860358834.pdb or /var/tmp/from_scwrl_860358834_b.pdb or /var/tmp/from_scwrl_860358834_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 95 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1465867833.pdb -s /var/tmp/to_scwrl_1465867833.seq -o /var/tmp/from_scwrl_1465867833.pdb > /var/tmp/scwrl_1465867833.log sh: /var/tmp/scwrl_1465867833.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1465867833.pdb or /var/tmp/from_scwrl_1465867833.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1465867833_b.pdb or decoys//var/tmp/from_scwrl_1465867833_b.pdb.gz for input Trying /var/tmp/from_scwrl_1465867833_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1465867833_b.pdb or /var/tmp/from_scwrl_1465867833_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1465867833_a.pdb or decoys//var/tmp/from_scwrl_1465867833_a.pdb.gz for input Trying /var/tmp/from_scwrl_1465867833_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1465867833_a.pdb or /var/tmp/from_scwrl_1465867833_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1465867833.pdb or /var/tmp/from_scwrl_1465867833_b.pdb or /var/tmp/from_scwrl_1465867833_a.pdb Error: no new SCWRL conformation added # 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 98 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2002323262.pdb -s /var/tmp/to_scwrl_2002323262.seq -o /var/tmp/from_scwrl_2002323262.pdb > /var/tmp/scwrl_2002323262.log sh: /var/tmp/scwrl_2002323262.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2002323262.pdb or /var/tmp/from_scwrl_2002323262.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2002323262_b.pdb or decoys//var/tmp/from_scwrl_2002323262_b.pdb.gz for input Trying /var/tmp/from_scwrl_2002323262_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2002323262_b.pdb or /var/tmp/from_scwrl_2002323262_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2002323262_a.pdb or decoys//var/tmp/from_scwrl_2002323262_a.pdb.gz for input Trying /var/tmp/from_scwrl_2002323262_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2002323262_a.pdb or /var/tmp/from_scwrl_2002323262_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2002323262.pdb or /var/tmp/from_scwrl_2002323262_b.pdb or /var/tmp/from_scwrl_2002323262_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1161367485.pdb -s /var/tmp/to_scwrl_1161367485.seq -o /var/tmp/from_scwrl_1161367485.pdb > /var/tmp/scwrl_1161367485.log sh: /var/tmp/scwrl_1161367485.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1161367485.pdb or /var/tmp/from_scwrl_1161367485.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1161367485_b.pdb or decoys//var/tmp/from_scwrl_1161367485_b.pdb.gz for input Trying /var/tmp/from_scwrl_1161367485_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1161367485_b.pdb or /var/tmp/from_scwrl_1161367485_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1161367485_a.pdb or decoys//var/tmp/from_scwrl_1161367485_a.pdb.gz for input Trying /var/tmp/from_scwrl_1161367485_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1161367485_a.pdb or /var/tmp/from_scwrl_1161367485_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1161367485.pdb or /var/tmp/from_scwrl_1161367485_b.pdb or /var/tmp/from_scwrl_1161367485_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1439889819.pdb -s /var/tmp/to_scwrl_1439889819.seq -o /var/tmp/from_scwrl_1439889819.pdb > /var/tmp/scwrl_1439889819.log sh: /var/tmp/scwrl_1439889819.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1439889819.pdb or /var/tmp/from_scwrl_1439889819.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1439889819_b.pdb or decoys//var/tmp/from_scwrl_1439889819_b.pdb.gz for input Trying /var/tmp/from_scwrl_1439889819_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1439889819_b.pdb or /var/tmp/from_scwrl_1439889819_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1439889819_a.pdb or decoys//var/tmp/from_scwrl_1439889819_a.pdb.gz for input Trying /var/tmp/from_scwrl_1439889819_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1439889819_a.pdb or /var/tmp/from_scwrl_1439889819_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1439889819.pdb or /var/tmp/from_scwrl_1439889819_b.pdb or /var/tmp/from_scwrl_1439889819_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_927118634.pdb -s /var/tmp/to_scwrl_927118634.seq -o /var/tmp/from_scwrl_927118634.pdb > /var/tmp/scwrl_927118634.log sh: /var/tmp/scwrl_927118634.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_927118634.pdb or /var/tmp/from_scwrl_927118634.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_927118634_b.pdb or decoys//var/tmp/from_scwrl_927118634_b.pdb.gz for input Trying /var/tmp/from_scwrl_927118634_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_927118634_b.pdb or /var/tmp/from_scwrl_927118634_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_927118634_a.pdb or decoys//var/tmp/from_scwrl_927118634_a.pdb.gz for input Trying /var/tmp/from_scwrl_927118634_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_927118634_a.pdb or /var/tmp/from_scwrl_927118634_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_927118634.pdb or /var/tmp/from_scwrl_927118634_b.pdb or /var/tmp/from_scwrl_927118634_a.pdb Error: no new SCWRL conformation added # 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 101 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2106906860.pdb -s /var/tmp/to_scwrl_2106906860.seq -o /var/tmp/from_scwrl_2106906860.pdb > /var/tmp/scwrl_2106906860.log sh: /var/tmp/scwrl_2106906860.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2106906860.pdb or /var/tmp/from_scwrl_2106906860.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106906860_b.pdb or decoys//var/tmp/from_scwrl_2106906860_b.pdb.gz for input Trying /var/tmp/from_scwrl_2106906860_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106906860_b.pdb or /var/tmp/from_scwrl_2106906860_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106906860_a.pdb or decoys//var/tmp/from_scwrl_2106906860_a.pdb.gz for input Trying /var/tmp/from_scwrl_2106906860_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106906860_a.pdb or /var/tmp/from_scwrl_2106906860_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2106906860.pdb or /var/tmp/from_scwrl_2106906860_b.pdb or /var/tmp/from_scwrl_2106906860_a.pdb Error: no new SCWRL conformation added # 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 94 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_811225230.pdb -s /var/tmp/to_scwrl_811225230.seq -o /var/tmp/from_scwrl_811225230.pdb > /var/tmp/scwrl_811225230.log sh: /var/tmp/scwrl_811225230.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_811225230.pdb or /var/tmp/from_scwrl_811225230.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_811225230_b.pdb or decoys//var/tmp/from_scwrl_811225230_b.pdb.gz for input Trying /var/tmp/from_scwrl_811225230_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_811225230_b.pdb or /var/tmp/from_scwrl_811225230_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_811225230_a.pdb or decoys//var/tmp/from_scwrl_811225230_a.pdb.gz for input Trying /var/tmp/from_scwrl_811225230_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_811225230_a.pdb or /var/tmp/from_scwrl_811225230_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_811225230.pdb or /var/tmp/from_scwrl_811225230_b.pdb or /var/tmp/from_scwrl_811225230_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1252011519.pdb -s /var/tmp/to_scwrl_1252011519.seq -o /var/tmp/from_scwrl_1252011519.pdb > /var/tmp/scwrl_1252011519.log sh: /var/tmp/scwrl_1252011519.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1252011519.pdb or /var/tmp/from_scwrl_1252011519.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1252011519_b.pdb or decoys//var/tmp/from_scwrl_1252011519_b.pdb.gz for input Trying /var/tmp/from_scwrl_1252011519_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1252011519_b.pdb or /var/tmp/from_scwrl_1252011519_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1252011519_a.pdb or decoys//var/tmp/from_scwrl_1252011519_a.pdb.gz for input Trying /var/tmp/from_scwrl_1252011519_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1252011519_a.pdb or /var/tmp/from_scwrl_1252011519_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1252011519.pdb or /var/tmp/from_scwrl_1252011519_b.pdb or /var/tmp/from_scwrl_1252011519_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1057887502.pdb -s /var/tmp/to_scwrl_1057887502.seq -o /var/tmp/from_scwrl_1057887502.pdb > /var/tmp/scwrl_1057887502.log sh: /var/tmp/scwrl_1057887502.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1057887502.pdb or /var/tmp/from_scwrl_1057887502.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057887502_b.pdb or decoys//var/tmp/from_scwrl_1057887502_b.pdb.gz for input Trying /var/tmp/from_scwrl_1057887502_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057887502_b.pdb or /var/tmp/from_scwrl_1057887502_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057887502_a.pdb or decoys//var/tmp/from_scwrl_1057887502_a.pdb.gz for input Trying /var/tmp/from_scwrl_1057887502_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057887502_a.pdb or /var/tmp/from_scwrl_1057887502_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1057887502.pdb or /var/tmp/from_scwrl_1057887502_b.pdb or /var/tmp/from_scwrl_1057887502_a.pdb Error: no new SCWRL conformation added # 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 98 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_562728255.pdb -s /var/tmp/to_scwrl_562728255.seq -o /var/tmp/from_scwrl_562728255.pdb > /var/tmp/scwrl_562728255.log sh: /var/tmp/scwrl_562728255.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_562728255.pdb or /var/tmp/from_scwrl_562728255.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_562728255_b.pdb or decoys//var/tmp/from_scwrl_562728255_b.pdb.gz for input Trying /var/tmp/from_scwrl_562728255_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_562728255_b.pdb or /var/tmp/from_scwrl_562728255_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_562728255_a.pdb or decoys//var/tmp/from_scwrl_562728255_a.pdb.gz for input Trying /var/tmp/from_scwrl_562728255_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_562728255_a.pdb or /var/tmp/from_scwrl_562728255_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_562728255.pdb or /var/tmp/from_scwrl_562728255_b.pdb or /var/tmp/from_scwrl_562728255_a.pdb Error: no new SCWRL conformation added # 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 31 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_325726860.pdb -s /var/tmp/to_scwrl_325726860.seq -o /var/tmp/from_scwrl_325726860.pdb > /var/tmp/scwrl_325726860.log sh: /var/tmp/scwrl_325726860.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_325726860.pdb or /var/tmp/from_scwrl_325726860.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_325726860_b.pdb or decoys//var/tmp/from_scwrl_325726860_b.pdb.gz for input Trying /var/tmp/from_scwrl_325726860_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_325726860_b.pdb or /var/tmp/from_scwrl_325726860_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_325726860_a.pdb or decoys//var/tmp/from_scwrl_325726860_a.pdb.gz for input Trying /var/tmp/from_scwrl_325726860_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_325726860_a.pdb or /var/tmp/from_scwrl_325726860_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_325726860.pdb or /var/tmp/from_scwrl_325726860_b.pdb or /var/tmp/from_scwrl_325726860_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1542815827.pdb -s /var/tmp/to_scwrl_1542815827.seq -o /var/tmp/from_scwrl_1542815827.pdb > /var/tmp/scwrl_1542815827.log sh: /var/tmp/scwrl_1542815827.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1542815827.pdb or /var/tmp/from_scwrl_1542815827.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1542815827_b.pdb or decoys//var/tmp/from_scwrl_1542815827_b.pdb.gz for input Trying /var/tmp/from_scwrl_1542815827_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1542815827_b.pdb or /var/tmp/from_scwrl_1542815827_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1542815827_a.pdb or decoys//var/tmp/from_scwrl_1542815827_a.pdb.gz for input Trying /var/tmp/from_scwrl_1542815827_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1542815827_a.pdb or /var/tmp/from_scwrl_1542815827_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1542815827.pdb or /var/tmp/from_scwrl_1542815827_b.pdb or /var/tmp/from_scwrl_1542815827_a.pdb Error: no new SCWRL conformation added # 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 47 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_727610165.pdb -s /var/tmp/to_scwrl_727610165.seq -o /var/tmp/from_scwrl_727610165.pdb > /var/tmp/scwrl_727610165.log sh: /var/tmp/scwrl_727610165.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_727610165.pdb or /var/tmp/from_scwrl_727610165.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_727610165_b.pdb or decoys//var/tmp/from_scwrl_727610165_b.pdb.gz for input Trying /var/tmp/from_scwrl_727610165_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_727610165_b.pdb or /var/tmp/from_scwrl_727610165_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_727610165_a.pdb or decoys//var/tmp/from_scwrl_727610165_a.pdb.gz for input Trying /var/tmp/from_scwrl_727610165_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_727610165_a.pdb or /var/tmp/from_scwrl_727610165_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_727610165.pdb or /var/tmp/from_scwrl_727610165_b.pdb or /var/tmp/from_scwrl_727610165_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_253428531.pdb -s /var/tmp/to_scwrl_253428531.seq -o /var/tmp/from_scwrl_253428531.pdb > /var/tmp/scwrl_253428531.log sh: /var/tmp/scwrl_253428531.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_253428531.pdb or /var/tmp/from_scwrl_253428531.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_253428531_b.pdb or decoys//var/tmp/from_scwrl_253428531_b.pdb.gz for input Trying /var/tmp/from_scwrl_253428531_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_253428531_b.pdb or /var/tmp/from_scwrl_253428531_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_253428531_a.pdb or decoys//var/tmp/from_scwrl_253428531_a.pdb.gz for input Trying /var/tmp/from_scwrl_253428531_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_253428531_a.pdb or /var/tmp/from_scwrl_253428531_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_253428531.pdb or /var/tmp/from_scwrl_253428531_b.pdb or /var/tmp/from_scwrl_253428531_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_730560246.pdb -s /var/tmp/to_scwrl_730560246.seq -o /var/tmp/from_scwrl_730560246.pdb > /var/tmp/scwrl_730560246.log sh: /var/tmp/scwrl_730560246.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_730560246.pdb or /var/tmp/from_scwrl_730560246.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_730560246_b.pdb or decoys//var/tmp/from_scwrl_730560246_b.pdb.gz for input Trying /var/tmp/from_scwrl_730560246_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_730560246_b.pdb or /var/tmp/from_scwrl_730560246_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_730560246_a.pdb or decoys//var/tmp/from_scwrl_730560246_a.pdb.gz for input Trying /var/tmp/from_scwrl_730560246_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_730560246_a.pdb or /var/tmp/from_scwrl_730560246_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_730560246.pdb or /var/tmp/from_scwrl_730560246_b.pdb or /var/tmp/from_scwrl_730560246_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2008731021.pdb -s /var/tmp/to_scwrl_2008731021.seq -o /var/tmp/from_scwrl_2008731021.pdb > /var/tmp/scwrl_2008731021.log sh: /var/tmp/scwrl_2008731021.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2008731021.pdb or /var/tmp/from_scwrl_2008731021.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2008731021_b.pdb or decoys//var/tmp/from_scwrl_2008731021_b.pdb.gz for input Trying /var/tmp/from_scwrl_2008731021_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2008731021_b.pdb or /var/tmp/from_scwrl_2008731021_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2008731021_a.pdb or decoys//var/tmp/from_scwrl_2008731021_a.pdb.gz for input Trying /var/tmp/from_scwrl_2008731021_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2008731021_a.pdb or /var/tmp/from_scwrl_2008731021_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2008731021.pdb or /var/tmp/from_scwrl_2008731021_b.pdb or /var/tmp/from_scwrl_2008731021_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1350398987.pdb -s /var/tmp/to_scwrl_1350398987.seq -o /var/tmp/from_scwrl_1350398987.pdb > /var/tmp/scwrl_1350398987.log sh: /var/tmp/scwrl_1350398987.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1350398987.pdb or /var/tmp/from_scwrl_1350398987.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350398987_b.pdb or decoys//var/tmp/from_scwrl_1350398987_b.pdb.gz for input Trying /var/tmp/from_scwrl_1350398987_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350398987_b.pdb or /var/tmp/from_scwrl_1350398987_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350398987_a.pdb or decoys//var/tmp/from_scwrl_1350398987_a.pdb.gz for input Trying /var/tmp/from_scwrl_1350398987_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350398987_a.pdb or /var/tmp/from_scwrl_1350398987_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1350398987.pdb or /var/tmp/from_scwrl_1350398987_b.pdb or /var/tmp/from_scwrl_1350398987_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_340217957.pdb -s /var/tmp/to_scwrl_340217957.seq -o /var/tmp/from_scwrl_340217957.pdb > /var/tmp/scwrl_340217957.log sh: /var/tmp/scwrl_340217957.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_340217957.pdb or /var/tmp/from_scwrl_340217957.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_340217957_b.pdb or decoys//var/tmp/from_scwrl_340217957_b.pdb.gz for input Trying /var/tmp/from_scwrl_340217957_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_340217957_b.pdb or /var/tmp/from_scwrl_340217957_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_340217957_a.pdb or decoys//var/tmp/from_scwrl_340217957_a.pdb.gz for input Trying /var/tmp/from_scwrl_340217957_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_340217957_a.pdb or /var/tmp/from_scwrl_340217957_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_340217957.pdb or /var/tmp/from_scwrl_340217957_b.pdb or /var/tmp/from_scwrl_340217957_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1690495522.pdb -s /var/tmp/to_scwrl_1690495522.seq -o /var/tmp/from_scwrl_1690495522.pdb > /var/tmp/scwrl_1690495522.log sh: /var/tmp/scwrl_1690495522.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1690495522.pdb or /var/tmp/from_scwrl_1690495522.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1690495522_b.pdb or decoys//var/tmp/from_scwrl_1690495522_b.pdb.gz for input Trying /var/tmp/from_scwrl_1690495522_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1690495522_b.pdb or /var/tmp/from_scwrl_1690495522_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1690495522_a.pdb or decoys//var/tmp/from_scwrl_1690495522_a.pdb.gz for input Trying /var/tmp/from_scwrl_1690495522_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1690495522_a.pdb or /var/tmp/from_scwrl_1690495522_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1690495522.pdb or /var/tmp/from_scwrl_1690495522_b.pdb or /var/tmp/from_scwrl_1690495522_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 138, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 342, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 344, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1594825108.pdb -s /var/tmp/to_scwrl_1594825108.seq -o /var/tmp/from_scwrl_1594825108.pdb > /var/tmp/scwrl_1594825108.log sh: /var/tmp/scwrl_1594825108.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1594825108.pdb or /var/tmp/from_scwrl_1594825108.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1594825108_b.pdb or decoys//var/tmp/from_scwrl_1594825108_b.pdb.gz for input Trying /var/tmp/from_scwrl_1594825108_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1594825108_b.pdb or /var/tmp/from_scwrl_1594825108_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1594825108_a.pdb or decoys//var/tmp/from_scwrl_1594825108_a.pdb.gz for input Trying /var/tmp/from_scwrl_1594825108_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1594825108_a.pdb or /var/tmp/from_scwrl_1594825108_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1594825108.pdb or /var/tmp/from_scwrl_1594825108_b.pdb or /var/tmp/from_scwrl_1594825108_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1890282000.pdb -s /var/tmp/to_scwrl_1890282000.seq -o /var/tmp/from_scwrl_1890282000.pdb > /var/tmp/scwrl_1890282000.log sh: /var/tmp/scwrl_1890282000.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1890282000.pdb or /var/tmp/from_scwrl_1890282000.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1890282000_b.pdb or decoys//var/tmp/from_scwrl_1890282000_b.pdb.gz for input Trying /var/tmp/from_scwrl_1890282000_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1890282000_b.pdb or /var/tmp/from_scwrl_1890282000_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1890282000_a.pdb or decoys//var/tmp/from_scwrl_1890282000_a.pdb.gz for input Trying /var/tmp/from_scwrl_1890282000_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1890282000_a.pdb or /var/tmp/from_scwrl_1890282000_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1890282000.pdb or /var/tmp/from_scwrl_1890282000_b.pdb or /var/tmp/from_scwrl_1890282000_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_576886799.pdb -s /var/tmp/to_scwrl_576886799.seq -o /var/tmp/from_scwrl_576886799.pdb > /var/tmp/scwrl_576886799.log sh: /var/tmp/scwrl_576886799.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_576886799.pdb or /var/tmp/from_scwrl_576886799.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_576886799_b.pdb or decoys//var/tmp/from_scwrl_576886799_b.pdb.gz for input Trying /var/tmp/from_scwrl_576886799_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_576886799_b.pdb or /var/tmp/from_scwrl_576886799_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_576886799_a.pdb or decoys//var/tmp/from_scwrl_576886799_a.pdb.gz for input Trying /var/tmp/from_scwrl_576886799_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_576886799_a.pdb or /var/tmp/from_scwrl_576886799_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_576886799.pdb or /var/tmp/from_scwrl_576886799_b.pdb or /var/tmp/from_scwrl_576886799_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1597784222.pdb -s /var/tmp/to_scwrl_1597784222.seq -o /var/tmp/from_scwrl_1597784222.pdb > /var/tmp/scwrl_1597784222.log sh: /var/tmp/scwrl_1597784222.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1597784222.pdb or /var/tmp/from_scwrl_1597784222.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1597784222_b.pdb or decoys//var/tmp/from_scwrl_1597784222_b.pdb.gz for input Trying /var/tmp/from_scwrl_1597784222_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1597784222_b.pdb or /var/tmp/from_scwrl_1597784222_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1597784222_a.pdb or decoys//var/tmp/from_scwrl_1597784222_a.pdb.gz for input Trying /var/tmp/from_scwrl_1597784222_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1597784222_a.pdb or /var/tmp/from_scwrl_1597784222_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1597784222.pdb or /var/tmp/from_scwrl_1597784222_b.pdb or /var/tmp/from_scwrl_1597784222_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 342, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 344, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1732124749.pdb -s /var/tmp/to_scwrl_1732124749.seq -o /var/tmp/from_scwrl_1732124749.pdb > /var/tmp/scwrl_1732124749.log sh: /var/tmp/scwrl_1732124749.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1732124749.pdb or /var/tmp/from_scwrl_1732124749.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1732124749_b.pdb or decoys//var/tmp/from_scwrl_1732124749_b.pdb.gz for input Trying /var/tmp/from_scwrl_1732124749_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1732124749_b.pdb or /var/tmp/from_scwrl_1732124749_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1732124749_a.pdb or decoys//var/tmp/from_scwrl_1732124749_a.pdb.gz for input Trying /var/tmp/from_scwrl_1732124749_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1732124749_a.pdb or /var/tmp/from_scwrl_1732124749_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1732124749.pdb or /var/tmp/from_scwrl_1732124749_b.pdb or /var/tmp/from_scwrl_1732124749_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_346901550.pdb -s /var/tmp/to_scwrl_346901550.seq -o /var/tmp/from_scwrl_346901550.pdb > /var/tmp/scwrl_346901550.log sh: /var/tmp/scwrl_346901550.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_346901550.pdb or /var/tmp/from_scwrl_346901550.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_346901550_b.pdb or decoys//var/tmp/from_scwrl_346901550_b.pdb.gz for input Trying /var/tmp/from_scwrl_346901550_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_346901550_b.pdb or /var/tmp/from_scwrl_346901550_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_346901550_a.pdb or decoys//var/tmp/from_scwrl_346901550_a.pdb.gz for input Trying /var/tmp/from_scwrl_346901550_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_346901550_a.pdb or /var/tmp/from_scwrl_346901550_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_346901550.pdb or /var/tmp/from_scwrl_346901550_b.pdb or /var/tmp/from_scwrl_346901550_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_195454572.pdb -s /var/tmp/to_scwrl_195454572.seq -o /var/tmp/from_scwrl_195454572.pdb > /var/tmp/scwrl_195454572.log sh: /var/tmp/scwrl_195454572.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_195454572.pdb or /var/tmp/from_scwrl_195454572.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_195454572_b.pdb or decoys//var/tmp/from_scwrl_195454572_b.pdb.gz for input Trying /var/tmp/from_scwrl_195454572_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_195454572_b.pdb or /var/tmp/from_scwrl_195454572_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_195454572_a.pdb or decoys//var/tmp/from_scwrl_195454572_a.pdb.gz for input Trying /var/tmp/from_scwrl_195454572_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_195454572_a.pdb or /var/tmp/from_scwrl_195454572_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_195454572.pdb or /var/tmp/from_scwrl_195454572_b.pdb or /var/tmp/from_scwrl_195454572_a.pdb Error: no new SCWRL conformation added # 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 105 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2146173349.pdb -s /var/tmp/to_scwrl_2146173349.seq -o /var/tmp/from_scwrl_2146173349.pdb > /var/tmp/scwrl_2146173349.log sh: /var/tmp/scwrl_2146173349.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2146173349.pdb or /var/tmp/from_scwrl_2146173349.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2146173349_b.pdb or decoys//var/tmp/from_scwrl_2146173349_b.pdb.gz for input Trying /var/tmp/from_scwrl_2146173349_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2146173349_b.pdb or /var/tmp/from_scwrl_2146173349_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2146173349_a.pdb or decoys//var/tmp/from_scwrl_2146173349_a.pdb.gz for input Trying /var/tmp/from_scwrl_2146173349_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2146173349_a.pdb or /var/tmp/from_scwrl_2146173349_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2146173349.pdb or /var/tmp/from_scwrl_2146173349_b.pdb or /var/tmp/from_scwrl_2146173349_a.pdb Error: no new SCWRL conformation added # 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 47 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2034452611.pdb -s /var/tmp/to_scwrl_2034452611.seq -o /var/tmp/from_scwrl_2034452611.pdb > /var/tmp/scwrl_2034452611.log sh: /var/tmp/scwrl_2034452611.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2034452611.pdb or /var/tmp/from_scwrl_2034452611.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2034452611_b.pdb or decoys//var/tmp/from_scwrl_2034452611_b.pdb.gz for input Trying /var/tmp/from_scwrl_2034452611_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2034452611_b.pdb or /var/tmp/from_scwrl_2034452611_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2034452611_a.pdb or decoys//var/tmp/from_scwrl_2034452611_a.pdb.gz for input Trying /var/tmp/from_scwrl_2034452611_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2034452611_a.pdb or /var/tmp/from_scwrl_2034452611_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2034452611.pdb or /var/tmp/from_scwrl_2034452611_b.pdb or /var/tmp/from_scwrl_2034452611_a.pdb Error: no new SCWRL conformation added # 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 90 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_380941207.pdb -s /var/tmp/to_scwrl_380941207.seq -o /var/tmp/from_scwrl_380941207.pdb > /var/tmp/scwrl_380941207.log sh: /var/tmp/scwrl_380941207.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_380941207.pdb or /var/tmp/from_scwrl_380941207.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_380941207_b.pdb or decoys//var/tmp/from_scwrl_380941207_b.pdb.gz for input Trying /var/tmp/from_scwrl_380941207_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_380941207_b.pdb or /var/tmp/from_scwrl_380941207_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_380941207_a.pdb or decoys//var/tmp/from_scwrl_380941207_a.pdb.gz for input Trying /var/tmp/from_scwrl_380941207_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_380941207_a.pdb or /var/tmp/from_scwrl_380941207_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_380941207.pdb or /var/tmp/from_scwrl_380941207_b.pdb or /var/tmp/from_scwrl_380941207_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_16020505.pdb -s /var/tmp/to_scwrl_16020505.seq -o /var/tmp/from_scwrl_16020505.pdb > /var/tmp/scwrl_16020505.log sh: /var/tmp/scwrl_16020505.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_16020505.pdb or /var/tmp/from_scwrl_16020505.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_16020505_b.pdb or decoys//var/tmp/from_scwrl_16020505_b.pdb.gz for input Trying /var/tmp/from_scwrl_16020505_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_16020505_b.pdb or /var/tmp/from_scwrl_16020505_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_16020505_a.pdb or decoys//var/tmp/from_scwrl_16020505_a.pdb.gz for input Trying /var/tmp/from_scwrl_16020505_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_16020505_a.pdb or /var/tmp/from_scwrl_16020505_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_16020505.pdb or /var/tmp/from_scwrl_16020505_b.pdb or /var/tmp/from_scwrl_16020505_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_747327798.pdb -s /var/tmp/to_scwrl_747327798.seq -o /var/tmp/from_scwrl_747327798.pdb > /var/tmp/scwrl_747327798.log sh: /var/tmp/scwrl_747327798.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_747327798.pdb or /var/tmp/from_scwrl_747327798.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_747327798_b.pdb or decoys//var/tmp/from_scwrl_747327798_b.pdb.gz for input Trying /var/tmp/from_scwrl_747327798_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_747327798_b.pdb or /var/tmp/from_scwrl_747327798_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_747327798_a.pdb or decoys//var/tmp/from_scwrl_747327798_a.pdb.gz for input Trying /var/tmp/from_scwrl_747327798_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_747327798_a.pdb or /var/tmp/from_scwrl_747327798_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_747327798.pdb or /var/tmp/from_scwrl_747327798_b.pdb or /var/tmp/from_scwrl_747327798_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1846809040.pdb -s /var/tmp/to_scwrl_1846809040.seq -o /var/tmp/from_scwrl_1846809040.pdb > /var/tmp/scwrl_1846809040.log sh: /var/tmp/scwrl_1846809040.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1846809040.pdb or /var/tmp/from_scwrl_1846809040.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1846809040_b.pdb or decoys//var/tmp/from_scwrl_1846809040_b.pdb.gz for input Trying /var/tmp/from_scwrl_1846809040_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1846809040_b.pdb or /var/tmp/from_scwrl_1846809040_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1846809040_a.pdb or decoys//var/tmp/from_scwrl_1846809040_a.pdb.gz for input Trying /var/tmp/from_scwrl_1846809040_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1846809040_a.pdb or /var/tmp/from_scwrl_1846809040_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1846809040.pdb or /var/tmp/from_scwrl_1846809040_b.pdb or /var/tmp/from_scwrl_1846809040_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2018343767.pdb -s /var/tmp/to_scwrl_2018343767.seq -o /var/tmp/from_scwrl_2018343767.pdb > /var/tmp/scwrl_2018343767.log sh: /var/tmp/scwrl_2018343767.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2018343767.pdb or /var/tmp/from_scwrl_2018343767.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2018343767_b.pdb or decoys//var/tmp/from_scwrl_2018343767_b.pdb.gz for input Trying /var/tmp/from_scwrl_2018343767_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2018343767_b.pdb or /var/tmp/from_scwrl_2018343767_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2018343767_a.pdb or decoys//var/tmp/from_scwrl_2018343767_a.pdb.gz for input Trying /var/tmp/from_scwrl_2018343767_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2018343767_a.pdb or /var/tmp/from_scwrl_2018343767_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2018343767.pdb or /var/tmp/from_scwrl_2018343767_b.pdb or /var/tmp/from_scwrl_2018343767_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1908695283.pdb -s /var/tmp/to_scwrl_1908695283.seq -o /var/tmp/from_scwrl_1908695283.pdb > /var/tmp/scwrl_1908695283.log sh: /var/tmp/scwrl_1908695283.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1908695283.pdb or /var/tmp/from_scwrl_1908695283.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1908695283_b.pdb or decoys//var/tmp/from_scwrl_1908695283_b.pdb.gz for input Trying /var/tmp/from_scwrl_1908695283_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1908695283_b.pdb or /var/tmp/from_scwrl_1908695283_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1908695283_a.pdb or decoys//var/tmp/from_scwrl_1908695283_a.pdb.gz for input Trying /var/tmp/from_scwrl_1908695283_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1908695283_a.pdb or /var/tmp/from_scwrl_1908695283_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1908695283.pdb or /var/tmp/from_scwrl_1908695283_b.pdb or /var/tmp/from_scwrl_1908695283_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1139215213.pdb -s /var/tmp/to_scwrl_1139215213.seq -o /var/tmp/from_scwrl_1139215213.pdb > /var/tmp/scwrl_1139215213.log sh: /var/tmp/scwrl_1139215213.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1139215213.pdb or /var/tmp/from_scwrl_1139215213.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1139215213_b.pdb or decoys//var/tmp/from_scwrl_1139215213_b.pdb.gz for input Trying /var/tmp/from_scwrl_1139215213_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1139215213_b.pdb or /var/tmp/from_scwrl_1139215213_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1139215213_a.pdb or decoys//var/tmp/from_scwrl_1139215213_a.pdb.gz for input Trying /var/tmp/from_scwrl_1139215213_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1139215213_a.pdb or /var/tmp/from_scwrl_1139215213_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1139215213.pdb or /var/tmp/from_scwrl_1139215213_b.pdb or /var/tmp/from_scwrl_1139215213_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_797978754.pdb -s /var/tmp/to_scwrl_797978754.seq -o /var/tmp/from_scwrl_797978754.pdb > /var/tmp/scwrl_797978754.log sh: /var/tmp/scwrl_797978754.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_797978754.pdb or /var/tmp/from_scwrl_797978754.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_797978754_b.pdb or decoys//var/tmp/from_scwrl_797978754_b.pdb.gz for input Trying /var/tmp/from_scwrl_797978754_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_797978754_b.pdb or /var/tmp/from_scwrl_797978754_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_797978754_a.pdb or decoys//var/tmp/from_scwrl_797978754_a.pdb.gz for input Trying /var/tmp/from_scwrl_797978754_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_797978754_a.pdb or /var/tmp/from_scwrl_797978754_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_797978754.pdb or /var/tmp/from_scwrl_797978754_b.pdb or /var/tmp/from_scwrl_797978754_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1868118496.pdb -s /var/tmp/to_scwrl_1868118496.seq -o /var/tmp/from_scwrl_1868118496.pdb > /var/tmp/scwrl_1868118496.log sh: /var/tmp/scwrl_1868118496.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1868118496.pdb or /var/tmp/from_scwrl_1868118496.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1868118496_b.pdb or decoys//var/tmp/from_scwrl_1868118496_b.pdb.gz for input Trying /var/tmp/from_scwrl_1868118496_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1868118496_b.pdb or /var/tmp/from_scwrl_1868118496_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1868118496_a.pdb or decoys//var/tmp/from_scwrl_1868118496_a.pdb.gz for input Trying /var/tmp/from_scwrl_1868118496_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1868118496_a.pdb or /var/tmp/from_scwrl_1868118496_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1868118496.pdb or /var/tmp/from_scwrl_1868118496_b.pdb or /var/tmp/from_scwrl_1868118496_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1950440443.pdb -s /var/tmp/to_scwrl_1950440443.seq -o /var/tmp/from_scwrl_1950440443.pdb > /var/tmp/scwrl_1950440443.log sh: /var/tmp/scwrl_1950440443.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1950440443.pdb or /var/tmp/from_scwrl_1950440443.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1950440443_b.pdb or decoys//var/tmp/from_scwrl_1950440443_b.pdb.gz for input Trying /var/tmp/from_scwrl_1950440443_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1950440443_b.pdb or /var/tmp/from_scwrl_1950440443_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1950440443_a.pdb or decoys//var/tmp/from_scwrl_1950440443_a.pdb.gz for input Trying /var/tmp/from_scwrl_1950440443_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1950440443_a.pdb or /var/tmp/from_scwrl_1950440443_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1950440443.pdb or /var/tmp/from_scwrl_1950440443_b.pdb or /var/tmp/from_scwrl_1950440443_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2049990274.pdb -s /var/tmp/to_scwrl_2049990274.seq -o /var/tmp/from_scwrl_2049990274.pdb > /var/tmp/scwrl_2049990274.log sh: /var/tmp/scwrl_2049990274.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2049990274.pdb or /var/tmp/from_scwrl_2049990274.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2049990274_b.pdb or decoys//var/tmp/from_scwrl_2049990274_b.pdb.gz for input Trying /var/tmp/from_scwrl_2049990274_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2049990274_b.pdb or /var/tmp/from_scwrl_2049990274_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2049990274_a.pdb or decoys//var/tmp/from_scwrl_2049990274_a.pdb.gz for input Trying /var/tmp/from_scwrl_2049990274_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2049990274_a.pdb or /var/tmp/from_scwrl_2049990274_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2049990274.pdb or /var/tmp/from_scwrl_2049990274_b.pdb or /var/tmp/from_scwrl_2049990274_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_778522351.pdb -s /var/tmp/to_scwrl_778522351.seq -o /var/tmp/from_scwrl_778522351.pdb > /var/tmp/scwrl_778522351.log sh: /var/tmp/scwrl_778522351.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_778522351.pdb or /var/tmp/from_scwrl_778522351.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_778522351_b.pdb or decoys//var/tmp/from_scwrl_778522351_b.pdb.gz for input Trying /var/tmp/from_scwrl_778522351_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_778522351_b.pdb or /var/tmp/from_scwrl_778522351_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_778522351_a.pdb or decoys//var/tmp/from_scwrl_778522351_a.pdb.gz for input Trying /var/tmp/from_scwrl_778522351_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_778522351_a.pdb or /var/tmp/from_scwrl_778522351_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_778522351.pdb or /var/tmp/from_scwrl_778522351_b.pdb or /var/tmp/from_scwrl_778522351_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_365685051.pdb -s /var/tmp/to_scwrl_365685051.seq -o /var/tmp/from_scwrl_365685051.pdb > /var/tmp/scwrl_365685051.log sh: /var/tmp/scwrl_365685051.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_365685051.pdb or /var/tmp/from_scwrl_365685051.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_365685051_b.pdb or decoys//var/tmp/from_scwrl_365685051_b.pdb.gz for input Trying /var/tmp/from_scwrl_365685051_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_365685051_b.pdb or /var/tmp/from_scwrl_365685051_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_365685051_a.pdb or decoys//var/tmp/from_scwrl_365685051_a.pdb.gz for input Trying /var/tmp/from_scwrl_365685051_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_365685051_a.pdb or /var/tmp/from_scwrl_365685051_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_365685051.pdb or /var/tmp/from_scwrl_365685051_b.pdb or /var/tmp/from_scwrl_365685051_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_228233487.pdb -s /var/tmp/to_scwrl_228233487.seq -o /var/tmp/from_scwrl_228233487.pdb > /var/tmp/scwrl_228233487.log sh: /var/tmp/scwrl_228233487.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_228233487.pdb or /var/tmp/from_scwrl_228233487.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_228233487_b.pdb or decoys//var/tmp/from_scwrl_228233487_b.pdb.gz for input Trying /var/tmp/from_scwrl_228233487_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_228233487_b.pdb or /var/tmp/from_scwrl_228233487_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_228233487_a.pdb or decoys//var/tmp/from_scwrl_228233487_a.pdb.gz for input Trying /var/tmp/from_scwrl_228233487_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_228233487_a.pdb or /var/tmp/from_scwrl_228233487_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_228233487.pdb or /var/tmp/from_scwrl_228233487_b.pdb or /var/tmp/from_scwrl_228233487_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_173854532.pdb -s /var/tmp/to_scwrl_173854532.seq -o /var/tmp/from_scwrl_173854532.pdb > /var/tmp/scwrl_173854532.log sh: /var/tmp/scwrl_173854532.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_173854532.pdb or /var/tmp/from_scwrl_173854532.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_173854532_b.pdb or decoys//var/tmp/from_scwrl_173854532_b.pdb.gz for input Trying /var/tmp/from_scwrl_173854532_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_173854532_b.pdb or /var/tmp/from_scwrl_173854532_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_173854532_a.pdb or decoys//var/tmp/from_scwrl_173854532_a.pdb.gz for input Trying /var/tmp/from_scwrl_173854532_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_173854532_a.pdb or /var/tmp/from_scwrl_173854532_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_173854532.pdb or /var/tmp/from_scwrl_173854532_b.pdb or /var/tmp/from_scwrl_173854532_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1093295215.pdb -s /var/tmp/to_scwrl_1093295215.seq -o /var/tmp/from_scwrl_1093295215.pdb > /var/tmp/scwrl_1093295215.log sh: /var/tmp/scwrl_1093295215.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1093295215.pdb or /var/tmp/from_scwrl_1093295215.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1093295215_b.pdb or decoys//var/tmp/from_scwrl_1093295215_b.pdb.gz for input Trying /var/tmp/from_scwrl_1093295215_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1093295215_b.pdb or /var/tmp/from_scwrl_1093295215_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1093295215_a.pdb or decoys//var/tmp/from_scwrl_1093295215_a.pdb.gz for input Trying /var/tmp/from_scwrl_1093295215_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1093295215_a.pdb or /var/tmp/from_scwrl_1093295215_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1093295215.pdb or /var/tmp/from_scwrl_1093295215_b.pdb or /var/tmp/from_scwrl_1093295215_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_481662018.pdb -s /var/tmp/to_scwrl_481662018.seq -o /var/tmp/from_scwrl_481662018.pdb > /var/tmp/scwrl_481662018.log sh: /var/tmp/scwrl_481662018.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_481662018.pdb or /var/tmp/from_scwrl_481662018.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_481662018_b.pdb or decoys//var/tmp/from_scwrl_481662018_b.pdb.gz for input Trying /var/tmp/from_scwrl_481662018_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_481662018_b.pdb or /var/tmp/from_scwrl_481662018_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_481662018_a.pdb or decoys//var/tmp/from_scwrl_481662018_a.pdb.gz for input Trying /var/tmp/from_scwrl_481662018_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_481662018_a.pdb or /var/tmp/from_scwrl_481662018_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_481662018.pdb or /var/tmp/from_scwrl_481662018_b.pdb or /var/tmp/from_scwrl_481662018_a.pdb Error: no new SCWRL conformation added # 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 16 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_904414778.pdb -s /var/tmp/to_scwrl_904414778.seq -o /var/tmp/from_scwrl_904414778.pdb > /var/tmp/scwrl_904414778.log sh: /var/tmp/scwrl_904414778.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_904414778.pdb or /var/tmp/from_scwrl_904414778.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_904414778_b.pdb or decoys//var/tmp/from_scwrl_904414778_b.pdb.gz for input Trying /var/tmp/from_scwrl_904414778_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_904414778_b.pdb or /var/tmp/from_scwrl_904414778_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_904414778_a.pdb or decoys//var/tmp/from_scwrl_904414778_a.pdb.gz for input Trying /var/tmp/from_scwrl_904414778_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_904414778_a.pdb or /var/tmp/from_scwrl_904414778_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_904414778.pdb or /var/tmp/from_scwrl_904414778_b.pdb or /var/tmp/from_scwrl_904414778_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_954542591.pdb -s /var/tmp/to_scwrl_954542591.seq -o /var/tmp/from_scwrl_954542591.pdb > /var/tmp/scwrl_954542591.log sh: /var/tmp/scwrl_954542591.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_954542591.pdb or /var/tmp/from_scwrl_954542591.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_954542591_b.pdb or decoys//var/tmp/from_scwrl_954542591_b.pdb.gz for input Trying /var/tmp/from_scwrl_954542591_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_954542591_b.pdb or /var/tmp/from_scwrl_954542591_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_954542591_a.pdb or decoys//var/tmp/from_scwrl_954542591_a.pdb.gz for input Trying /var/tmp/from_scwrl_954542591_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_954542591_a.pdb or /var/tmp/from_scwrl_954542591_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_954542591.pdb or /var/tmp/from_scwrl_954542591_b.pdb or /var/tmp/from_scwrl_954542591_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1832061006.pdb -s /var/tmp/to_scwrl_1832061006.seq -o /var/tmp/from_scwrl_1832061006.pdb > /var/tmp/scwrl_1832061006.log sh: /var/tmp/scwrl_1832061006.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1832061006.pdb or /var/tmp/from_scwrl_1832061006.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1832061006_b.pdb or decoys//var/tmp/from_scwrl_1832061006_b.pdb.gz for input Trying /var/tmp/from_scwrl_1832061006_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1832061006_b.pdb or /var/tmp/from_scwrl_1832061006_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1832061006_a.pdb or decoys//var/tmp/from_scwrl_1832061006_a.pdb.gz for input Trying /var/tmp/from_scwrl_1832061006_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1832061006_a.pdb or /var/tmp/from_scwrl_1832061006_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1832061006.pdb or /var/tmp/from_scwrl_1832061006_b.pdb or /var/tmp/from_scwrl_1832061006_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1244632734.pdb -s /var/tmp/to_scwrl_1244632734.seq -o /var/tmp/from_scwrl_1244632734.pdb > /var/tmp/scwrl_1244632734.log sh: /var/tmp/scwrl_1244632734.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1244632734.pdb or /var/tmp/from_scwrl_1244632734.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1244632734_b.pdb or decoys//var/tmp/from_scwrl_1244632734_b.pdb.gz for input Trying /var/tmp/from_scwrl_1244632734_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1244632734_b.pdb or /var/tmp/from_scwrl_1244632734_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1244632734_a.pdb or decoys//var/tmp/from_scwrl_1244632734_a.pdb.gz for input Trying /var/tmp/from_scwrl_1244632734_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1244632734_a.pdb or /var/tmp/from_scwrl_1244632734_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1244632734.pdb or /var/tmp/from_scwrl_1244632734_b.pdb or /var/tmp/from_scwrl_1244632734_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_497554466.pdb -s /var/tmp/to_scwrl_497554466.seq -o /var/tmp/from_scwrl_497554466.pdb > /var/tmp/scwrl_497554466.log sh: /var/tmp/scwrl_497554466.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_497554466.pdb or /var/tmp/from_scwrl_497554466.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_497554466_b.pdb or decoys//var/tmp/from_scwrl_497554466_b.pdb.gz for input Trying /var/tmp/from_scwrl_497554466_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_497554466_b.pdb or /var/tmp/from_scwrl_497554466_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_497554466_a.pdb or decoys//var/tmp/from_scwrl_497554466_a.pdb.gz for input Trying /var/tmp/from_scwrl_497554466_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_497554466_a.pdb or /var/tmp/from_scwrl_497554466_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_497554466.pdb or /var/tmp/from_scwrl_497554466_b.pdb or /var/tmp/from_scwrl_497554466_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1279402467.pdb -s /var/tmp/to_scwrl_1279402467.seq -o /var/tmp/from_scwrl_1279402467.pdb > /var/tmp/scwrl_1279402467.log sh: /var/tmp/scwrl_1279402467.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1279402467.pdb or /var/tmp/from_scwrl_1279402467.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1279402467_b.pdb or decoys//var/tmp/from_scwrl_1279402467_b.pdb.gz for input Trying /var/tmp/from_scwrl_1279402467_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1279402467_b.pdb or /var/tmp/from_scwrl_1279402467_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1279402467_a.pdb or decoys//var/tmp/from_scwrl_1279402467_a.pdb.gz for input Trying /var/tmp/from_scwrl_1279402467_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1279402467_a.pdb or /var/tmp/from_scwrl_1279402467_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1279402467.pdb or /var/tmp/from_scwrl_1279402467_b.pdb or /var/tmp/from_scwrl_1279402467_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_987431088.pdb -s /var/tmp/to_scwrl_987431088.seq -o /var/tmp/from_scwrl_987431088.pdb > /var/tmp/scwrl_987431088.log sh: /var/tmp/scwrl_987431088.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_987431088.pdb or /var/tmp/from_scwrl_987431088.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_987431088_b.pdb or decoys//var/tmp/from_scwrl_987431088_b.pdb.gz for input Trying /var/tmp/from_scwrl_987431088_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_987431088_b.pdb or /var/tmp/from_scwrl_987431088_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_987431088_a.pdb or decoys//var/tmp/from_scwrl_987431088_a.pdb.gz for input Trying /var/tmp/from_scwrl_987431088_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_987431088_a.pdb or /var/tmp/from_scwrl_987431088_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_987431088.pdb or /var/tmp/from_scwrl_987431088_b.pdb or /var/tmp/from_scwrl_987431088_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1074441264.pdb -s /var/tmp/to_scwrl_1074441264.seq -o /var/tmp/from_scwrl_1074441264.pdb > /var/tmp/scwrl_1074441264.log sh: /var/tmp/scwrl_1074441264.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1074441264.pdb or /var/tmp/from_scwrl_1074441264.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1074441264_b.pdb or decoys//var/tmp/from_scwrl_1074441264_b.pdb.gz for input Trying /var/tmp/from_scwrl_1074441264_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1074441264_b.pdb or /var/tmp/from_scwrl_1074441264_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1074441264_a.pdb or decoys//var/tmp/from_scwrl_1074441264_a.pdb.gz for input Trying /var/tmp/from_scwrl_1074441264_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1074441264_a.pdb or /var/tmp/from_scwrl_1074441264_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1074441264.pdb or /var/tmp/from_scwrl_1074441264_b.pdb or /var/tmp/from_scwrl_1074441264_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_729703044.pdb -s /var/tmp/to_scwrl_729703044.seq -o /var/tmp/from_scwrl_729703044.pdb > /var/tmp/scwrl_729703044.log sh: /var/tmp/scwrl_729703044.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_729703044.pdb or /var/tmp/from_scwrl_729703044.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_729703044_b.pdb or decoys//var/tmp/from_scwrl_729703044_b.pdb.gz for input Trying /var/tmp/from_scwrl_729703044_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_729703044_b.pdb or /var/tmp/from_scwrl_729703044_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_729703044_a.pdb or decoys//var/tmp/from_scwrl_729703044_a.pdb.gz for input Trying /var/tmp/from_scwrl_729703044_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_729703044_a.pdb or /var/tmp/from_scwrl_729703044_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_729703044.pdb or /var/tmp/from_scwrl_729703044_b.pdb or /var/tmp/from_scwrl_729703044_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_572072191.pdb -s /var/tmp/to_scwrl_572072191.seq -o /var/tmp/from_scwrl_572072191.pdb > /var/tmp/scwrl_572072191.log sh: /var/tmp/scwrl_572072191.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_572072191.pdb or /var/tmp/from_scwrl_572072191.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_572072191_b.pdb or decoys//var/tmp/from_scwrl_572072191_b.pdb.gz for input Trying /var/tmp/from_scwrl_572072191_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_572072191_b.pdb or /var/tmp/from_scwrl_572072191_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_572072191_a.pdb or decoys//var/tmp/from_scwrl_572072191_a.pdb.gz for input Trying /var/tmp/from_scwrl_572072191_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_572072191_a.pdb or /var/tmp/from_scwrl_572072191_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_572072191.pdb or /var/tmp/from_scwrl_572072191_b.pdb or /var/tmp/from_scwrl_572072191_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1421342814.pdb -s /var/tmp/to_scwrl_1421342814.seq -o /var/tmp/from_scwrl_1421342814.pdb > /var/tmp/scwrl_1421342814.log sh: /var/tmp/scwrl_1421342814.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1421342814.pdb or /var/tmp/from_scwrl_1421342814.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1421342814_b.pdb or decoys//var/tmp/from_scwrl_1421342814_b.pdb.gz for input Trying /var/tmp/from_scwrl_1421342814_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1421342814_b.pdb or /var/tmp/from_scwrl_1421342814_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1421342814_a.pdb or decoys//var/tmp/from_scwrl_1421342814_a.pdb.gz for input Trying /var/tmp/from_scwrl_1421342814_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1421342814_a.pdb or /var/tmp/from_scwrl_1421342814_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1421342814.pdb or /var/tmp/from_scwrl_1421342814_b.pdb or /var/tmp/from_scwrl_1421342814_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_925157616.pdb -s /var/tmp/to_scwrl_925157616.seq -o /var/tmp/from_scwrl_925157616.pdb > /var/tmp/scwrl_925157616.log sh: /var/tmp/scwrl_925157616.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_925157616.pdb or /var/tmp/from_scwrl_925157616.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925157616_b.pdb or decoys//var/tmp/from_scwrl_925157616_b.pdb.gz for input Trying /var/tmp/from_scwrl_925157616_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_925157616_b.pdb or /var/tmp/from_scwrl_925157616_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925157616_a.pdb or decoys//var/tmp/from_scwrl_925157616_a.pdb.gz for input Trying /var/tmp/from_scwrl_925157616_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_925157616_a.pdb or /var/tmp/from_scwrl_925157616_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_925157616.pdb or /var/tmp/from_scwrl_925157616_b.pdb or /var/tmp/from_scwrl_925157616_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_570761893.pdb -s /var/tmp/to_scwrl_570761893.seq -o /var/tmp/from_scwrl_570761893.pdb > /var/tmp/scwrl_570761893.log sh: /var/tmp/scwrl_570761893.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_570761893.pdb or /var/tmp/from_scwrl_570761893.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_570761893_b.pdb or decoys//var/tmp/from_scwrl_570761893_b.pdb.gz for input Trying /var/tmp/from_scwrl_570761893_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_570761893_b.pdb or /var/tmp/from_scwrl_570761893_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_570761893_a.pdb or decoys//var/tmp/from_scwrl_570761893_a.pdb.gz for input Trying /var/tmp/from_scwrl_570761893_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_570761893_a.pdb or /var/tmp/from_scwrl_570761893_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_570761893.pdb or /var/tmp/from_scwrl_570761893_b.pdb or /var/tmp/from_scwrl_570761893_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1308311778.pdb -s /var/tmp/to_scwrl_1308311778.seq -o /var/tmp/from_scwrl_1308311778.pdb > /var/tmp/scwrl_1308311778.log sh: /var/tmp/scwrl_1308311778.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1308311778.pdb or /var/tmp/from_scwrl_1308311778.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1308311778_b.pdb or decoys//var/tmp/from_scwrl_1308311778_b.pdb.gz for input Trying /var/tmp/from_scwrl_1308311778_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1308311778_b.pdb or /var/tmp/from_scwrl_1308311778_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1308311778_a.pdb or decoys//var/tmp/from_scwrl_1308311778_a.pdb.gz for input Trying /var/tmp/from_scwrl_1308311778_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1308311778_a.pdb or /var/tmp/from_scwrl_1308311778_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1308311778.pdb or /var/tmp/from_scwrl_1308311778_b.pdb or /var/tmp/from_scwrl_1308311778_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1306098822.pdb -s /var/tmp/to_scwrl_1306098822.seq -o /var/tmp/from_scwrl_1306098822.pdb > /var/tmp/scwrl_1306098822.log sh: /var/tmp/scwrl_1306098822.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1306098822.pdb or /var/tmp/from_scwrl_1306098822.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1306098822_b.pdb or decoys//var/tmp/from_scwrl_1306098822_b.pdb.gz for input Trying /var/tmp/from_scwrl_1306098822_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1306098822_b.pdb or /var/tmp/from_scwrl_1306098822_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1306098822_a.pdb or decoys//var/tmp/from_scwrl_1306098822_a.pdb.gz for input Trying /var/tmp/from_scwrl_1306098822_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1306098822_a.pdb or /var/tmp/from_scwrl_1306098822_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1306098822.pdb or /var/tmp/from_scwrl_1306098822_b.pdb or /var/tmp/from_scwrl_1306098822_a.pdb Error: no new SCWRL conformation added # 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 95 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_586782398.pdb -s /var/tmp/to_scwrl_586782398.seq -o /var/tmp/from_scwrl_586782398.pdb > /var/tmp/scwrl_586782398.log sh: /var/tmp/scwrl_586782398.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_586782398.pdb or /var/tmp/from_scwrl_586782398.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_586782398_b.pdb or decoys//var/tmp/from_scwrl_586782398_b.pdb.gz for input Trying /var/tmp/from_scwrl_586782398_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_586782398_b.pdb or /var/tmp/from_scwrl_586782398_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_586782398_a.pdb or decoys//var/tmp/from_scwrl_586782398_a.pdb.gz for input Trying /var/tmp/from_scwrl_586782398_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_586782398_a.pdb or /var/tmp/from_scwrl_586782398_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_586782398.pdb or /var/tmp/from_scwrl_586782398_b.pdb or /var/tmp/from_scwrl_586782398_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2055639576.pdb -s /var/tmp/to_scwrl_2055639576.seq -o /var/tmp/from_scwrl_2055639576.pdb > /var/tmp/scwrl_2055639576.log sh: /var/tmp/scwrl_2055639576.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2055639576.pdb or /var/tmp/from_scwrl_2055639576.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2055639576_b.pdb or decoys//var/tmp/from_scwrl_2055639576_b.pdb.gz for input Trying /var/tmp/from_scwrl_2055639576_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2055639576_b.pdb or /var/tmp/from_scwrl_2055639576_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2055639576_a.pdb or decoys//var/tmp/from_scwrl_2055639576_a.pdb.gz for input Trying /var/tmp/from_scwrl_2055639576_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2055639576_a.pdb or /var/tmp/from_scwrl_2055639576_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2055639576.pdb or /var/tmp/from_scwrl_2055639576_b.pdb or /var/tmp/from_scwrl_2055639576_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1005424216.pdb -s /var/tmp/to_scwrl_1005424216.seq -o /var/tmp/from_scwrl_1005424216.pdb > /var/tmp/scwrl_1005424216.log sh: /var/tmp/scwrl_1005424216.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1005424216.pdb or /var/tmp/from_scwrl_1005424216.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1005424216_b.pdb or decoys//var/tmp/from_scwrl_1005424216_b.pdb.gz for input Trying /var/tmp/from_scwrl_1005424216_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1005424216_b.pdb or /var/tmp/from_scwrl_1005424216_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1005424216_a.pdb or decoys//var/tmp/from_scwrl_1005424216_a.pdb.gz for input Trying /var/tmp/from_scwrl_1005424216_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1005424216_a.pdb or /var/tmp/from_scwrl_1005424216_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1005424216.pdb or /var/tmp/from_scwrl_1005424216_b.pdb or /var/tmp/from_scwrl_1005424216_a.pdb Error: no new SCWRL conformation added # 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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_457642518.pdb -s /var/tmp/to_scwrl_457642518.seq -o /var/tmp/from_scwrl_457642518.pdb > /var/tmp/scwrl_457642518.log sh: /var/tmp/scwrl_457642518.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_457642518.pdb or /var/tmp/from_scwrl_457642518.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457642518_b.pdb or decoys//var/tmp/from_scwrl_457642518_b.pdb.gz for input Trying /var/tmp/from_scwrl_457642518_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_457642518_b.pdb or /var/tmp/from_scwrl_457642518_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457642518_a.pdb or decoys//var/tmp/from_scwrl_457642518_a.pdb.gz for input Trying /var/tmp/from_scwrl_457642518_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_457642518_a.pdb or /var/tmp/from_scwrl_457642518_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_457642518.pdb or /var/tmp/from_scwrl_457642518_b.pdb or /var/tmp/from_scwrl_457642518_a.pdb Error: no new SCWRL conformation added # 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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1816851212.pdb -s /var/tmp/to_scwrl_1816851212.seq -o /var/tmp/from_scwrl_1816851212.pdb > /var/tmp/scwrl_1816851212.log sh: /var/tmp/scwrl_1816851212.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1816851212.pdb or /var/tmp/from_scwrl_1816851212.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816851212_b.pdb or decoys//var/tmp/from_scwrl_1816851212_b.pdb.gz for input Trying /var/tmp/from_scwrl_1816851212_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816851212_b.pdb or /var/tmp/from_scwrl_1816851212_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816851212_a.pdb or decoys//var/tmp/from_scwrl_1816851212_a.pdb.gz for input Trying /var/tmp/from_scwrl_1816851212_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816851212_a.pdb or /var/tmp/from_scwrl_1816851212_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1816851212.pdb or /var/tmp/from_scwrl_1816851212_b.pdb or /var/tmp/from_scwrl_1816851212_a.pdb Error: no new SCWRL conformation added # 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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2144639429.pdb -s /var/tmp/to_scwrl_2144639429.seq -o /var/tmp/from_scwrl_2144639429.pdb > /var/tmp/scwrl_2144639429.log sh: /var/tmp/scwrl_2144639429.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2144639429.pdb or /var/tmp/from_scwrl_2144639429.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2144639429_b.pdb or decoys//var/tmp/from_scwrl_2144639429_b.pdb.gz for input Trying /var/tmp/from_scwrl_2144639429_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2144639429_b.pdb or /var/tmp/from_scwrl_2144639429_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2144639429_a.pdb or decoys//var/tmp/from_scwrl_2144639429_a.pdb.gz for input Trying /var/tmp/from_scwrl_2144639429_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2144639429_a.pdb or /var/tmp/from_scwrl_2144639429_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2144639429.pdb or /var/tmp/from_scwrl_2144639429_b.pdb or /var/tmp/from_scwrl_2144639429_a.pdb Error: no new SCWRL conformation added # 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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1255621272.pdb -s /var/tmp/to_scwrl_1255621272.seq -o /var/tmp/from_scwrl_1255621272.pdb > /var/tmp/scwrl_1255621272.log sh: /var/tmp/scwrl_1255621272.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1255621272.pdb or /var/tmp/from_scwrl_1255621272.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1255621272_b.pdb or decoys//var/tmp/from_scwrl_1255621272_b.pdb.gz for input Trying /var/tmp/from_scwrl_1255621272_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1255621272_b.pdb or /var/tmp/from_scwrl_1255621272_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1255621272_a.pdb or decoys//var/tmp/from_scwrl_1255621272_a.pdb.gz for input Trying /var/tmp/from_scwrl_1255621272_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1255621272_a.pdb or /var/tmp/from_scwrl_1255621272_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1255621272.pdb or /var/tmp/from_scwrl_1255621272_b.pdb or /var/tmp/from_scwrl_1255621272_a.pdb Error: no new SCWRL conformation added # 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 102 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1537486062.pdb -s /var/tmp/to_scwrl_1537486062.seq -o /var/tmp/from_scwrl_1537486062.pdb > /var/tmp/scwrl_1537486062.log sh: /var/tmp/scwrl_1537486062.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1537486062.pdb or /var/tmp/from_scwrl_1537486062.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1537486062_b.pdb or decoys//var/tmp/from_scwrl_1537486062_b.pdb.gz for input Trying /var/tmp/from_scwrl_1537486062_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1537486062_b.pdb or /var/tmp/from_scwrl_1537486062_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1537486062_a.pdb or decoys//var/tmp/from_scwrl_1537486062_a.pdb.gz for input Trying /var/tmp/from_scwrl_1537486062_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1537486062_a.pdb or /var/tmp/from_scwrl_1537486062_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1537486062.pdb or /var/tmp/from_scwrl_1537486062_b.pdb or /var/tmp/from_scwrl_1537486062_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1947596225.pdb -s /var/tmp/to_scwrl_1947596225.seq -o /var/tmp/from_scwrl_1947596225.pdb > /var/tmp/scwrl_1947596225.log sh: /var/tmp/scwrl_1947596225.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1947596225.pdb or /var/tmp/from_scwrl_1947596225.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1947596225_b.pdb or decoys//var/tmp/from_scwrl_1947596225_b.pdb.gz for input Trying /var/tmp/from_scwrl_1947596225_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1947596225_b.pdb or /var/tmp/from_scwrl_1947596225_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1947596225_a.pdb or decoys//var/tmp/from_scwrl_1947596225_a.pdb.gz for input Trying /var/tmp/from_scwrl_1947596225_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1947596225_a.pdb or /var/tmp/from_scwrl_1947596225_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1947596225.pdb or /var/tmp/from_scwrl_1947596225_b.pdb or /var/tmp/from_scwrl_1947596225_a.pdb Error: no new SCWRL conformation added # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 WARNING: atom 1 has residue number 10 < previous residue 106 in servers/POMYSL_TS1.pdb.gz # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1158127899.pdb -s /var/tmp/to_scwrl_1158127899.seq -o /var/tmp/from_scwrl_1158127899.pdb > /var/tmp/scwrl_1158127899.log sh: /var/tmp/scwrl_1158127899.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1158127899.pdb or /var/tmp/from_scwrl_1158127899.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1158127899_b.pdb or decoys//var/tmp/from_scwrl_1158127899_b.pdb.gz for input Trying /var/tmp/from_scwrl_1158127899_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1158127899_b.pdb or /var/tmp/from_scwrl_1158127899_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1158127899_a.pdb or decoys//var/tmp/from_scwrl_1158127899_a.pdb.gz for input Trying /var/tmp/from_scwrl_1158127899_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1158127899_a.pdb or /var/tmp/from_scwrl_1158127899_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1158127899.pdb or /var/tmp/from_scwrl_1158127899_b.pdb or /var/tmp/from_scwrl_1158127899_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 10 < previous residue 106 in servers/POMYSL_TS2.pdb.gz # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_168524766.pdb -s /var/tmp/to_scwrl_168524766.seq -o /var/tmp/from_scwrl_168524766.pdb > /var/tmp/scwrl_168524766.log sh: /var/tmp/scwrl_168524766.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_168524766.pdb or /var/tmp/from_scwrl_168524766.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_168524766_b.pdb or decoys//var/tmp/from_scwrl_168524766_b.pdb.gz for input Trying /var/tmp/from_scwrl_168524766_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_168524766_b.pdb or /var/tmp/from_scwrl_168524766_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_168524766_a.pdb or decoys//var/tmp/from_scwrl_168524766_a.pdb.gz for input Trying /var/tmp/from_scwrl_168524766_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_168524766_a.pdb or /var/tmp/from_scwrl_168524766_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_168524766.pdb or /var/tmp/from_scwrl_168524766_b.pdb or /var/tmp/from_scwrl_168524766_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_165797630.pdb -s /var/tmp/to_scwrl_165797630.seq -o /var/tmp/from_scwrl_165797630.pdb > /var/tmp/scwrl_165797630.log sh: /var/tmp/scwrl_165797630.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_165797630.pdb or /var/tmp/from_scwrl_165797630.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_165797630_b.pdb or decoys//var/tmp/from_scwrl_165797630_b.pdb.gz for input Trying /var/tmp/from_scwrl_165797630_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_165797630_b.pdb or /var/tmp/from_scwrl_165797630_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_165797630_a.pdb or decoys//var/tmp/from_scwrl_165797630_a.pdb.gz for input Trying /var/tmp/from_scwrl_165797630_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_165797630_a.pdb or /var/tmp/from_scwrl_165797630_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_165797630.pdb or /var/tmp/from_scwrl_165797630_b.pdb or /var/tmp/from_scwrl_165797630_a.pdb Error: no new SCWRL conformation added # 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 98 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1386361386.pdb -s /var/tmp/to_scwrl_1386361386.seq -o /var/tmp/from_scwrl_1386361386.pdb > /var/tmp/scwrl_1386361386.log sh: /var/tmp/scwrl_1386361386.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1386361386.pdb or /var/tmp/from_scwrl_1386361386.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1386361386_b.pdb or decoys//var/tmp/from_scwrl_1386361386_b.pdb.gz for input Trying /var/tmp/from_scwrl_1386361386_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1386361386_b.pdb or /var/tmp/from_scwrl_1386361386_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1386361386_a.pdb or decoys//var/tmp/from_scwrl_1386361386_a.pdb.gz for input Trying /var/tmp/from_scwrl_1386361386_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1386361386_a.pdb or /var/tmp/from_scwrl_1386361386_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1386361386.pdb or /var/tmp/from_scwrl_1386361386_b.pdb or /var/tmp/from_scwrl_1386361386_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_342379298.pdb -s /var/tmp/to_scwrl_342379298.seq -o /var/tmp/from_scwrl_342379298.pdb > /var/tmp/scwrl_342379298.log sh: /var/tmp/scwrl_342379298.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_342379298.pdb or /var/tmp/from_scwrl_342379298.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_342379298_b.pdb or decoys//var/tmp/from_scwrl_342379298_b.pdb.gz for input Trying /var/tmp/from_scwrl_342379298_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_342379298_b.pdb or /var/tmp/from_scwrl_342379298_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_342379298_a.pdb or decoys//var/tmp/from_scwrl_342379298_a.pdb.gz for input Trying /var/tmp/from_scwrl_342379298_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_342379298_a.pdb or /var/tmp/from_scwrl_342379298_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_342379298.pdb or /var/tmp/from_scwrl_342379298_b.pdb or /var/tmp/from_scwrl_342379298_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1259092845.pdb -s /var/tmp/to_scwrl_1259092845.seq -o /var/tmp/from_scwrl_1259092845.pdb > /var/tmp/scwrl_1259092845.log sh: /var/tmp/scwrl_1259092845.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1259092845.pdb or /var/tmp/from_scwrl_1259092845.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1259092845_b.pdb or decoys//var/tmp/from_scwrl_1259092845_b.pdb.gz for input Trying /var/tmp/from_scwrl_1259092845_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1259092845_b.pdb or /var/tmp/from_scwrl_1259092845_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1259092845_a.pdb or decoys//var/tmp/from_scwrl_1259092845_a.pdb.gz for input Trying /var/tmp/from_scwrl_1259092845_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1259092845_a.pdb or /var/tmp/from_scwrl_1259092845_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1259092845.pdb or /var/tmp/from_scwrl_1259092845_b.pdb or /var/tmp/from_scwrl_1259092845_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1868023405.pdb -s /var/tmp/to_scwrl_1868023405.seq -o /var/tmp/from_scwrl_1868023405.pdb > /var/tmp/scwrl_1868023405.log sh: /var/tmp/scwrl_1868023405.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1868023405.pdb or /var/tmp/from_scwrl_1868023405.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1868023405_b.pdb or decoys//var/tmp/from_scwrl_1868023405_b.pdb.gz for input Trying /var/tmp/from_scwrl_1868023405_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1868023405_b.pdb or /var/tmp/from_scwrl_1868023405_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1868023405_a.pdb or decoys//var/tmp/from_scwrl_1868023405_a.pdb.gz for input Trying /var/tmp/from_scwrl_1868023405_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1868023405_a.pdb or /var/tmp/from_scwrl_1868023405_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1868023405.pdb or /var/tmp/from_scwrl_1868023405_b.pdb or /var/tmp/from_scwrl_1868023405_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1246794075.pdb -s /var/tmp/to_scwrl_1246794075.seq -o /var/tmp/from_scwrl_1246794075.pdb > /var/tmp/scwrl_1246794075.log sh: /var/tmp/scwrl_1246794075.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1246794075.pdb or /var/tmp/from_scwrl_1246794075.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1246794075_b.pdb or decoys//var/tmp/from_scwrl_1246794075_b.pdb.gz for input Trying /var/tmp/from_scwrl_1246794075_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1246794075_b.pdb or /var/tmp/from_scwrl_1246794075_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1246794075_a.pdb or decoys//var/tmp/from_scwrl_1246794075_a.pdb.gz for input Trying /var/tmp/from_scwrl_1246794075_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1246794075_a.pdb or /var/tmp/from_scwrl_1246794075_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1246794075.pdb or /var/tmp/from_scwrl_1246794075_b.pdb or /var/tmp/from_scwrl_1246794075_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_66151789.pdb -s /var/tmp/to_scwrl_66151789.seq -o /var/tmp/from_scwrl_66151789.pdb > /var/tmp/scwrl_66151789.log sh: /var/tmp/scwrl_66151789.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_66151789.pdb or /var/tmp/from_scwrl_66151789.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_66151789_b.pdb or decoys//var/tmp/from_scwrl_66151789_b.pdb.gz for input Trying /var/tmp/from_scwrl_66151789_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_66151789_b.pdb or /var/tmp/from_scwrl_66151789_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_66151789_a.pdb or decoys//var/tmp/from_scwrl_66151789_a.pdb.gz for input Trying /var/tmp/from_scwrl_66151789_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_66151789_a.pdb or /var/tmp/from_scwrl_66151789_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_66151789.pdb or /var/tmp/from_scwrl_66151789_b.pdb or /var/tmp/from_scwrl_66151789_a.pdb Error: no new SCWRL conformation added # 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 100 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1552600764.pdb -s /var/tmp/to_scwrl_1552600764.seq -o /var/tmp/from_scwrl_1552600764.pdb > /var/tmp/scwrl_1552600764.log sh: /var/tmp/scwrl_1552600764.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1552600764.pdb or /var/tmp/from_scwrl_1552600764.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1552600764_b.pdb or decoys//var/tmp/from_scwrl_1552600764_b.pdb.gz for input Trying /var/tmp/from_scwrl_1552600764_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1552600764_b.pdb or /var/tmp/from_scwrl_1552600764_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1552600764_a.pdb or decoys//var/tmp/from_scwrl_1552600764_a.pdb.gz for input Trying /var/tmp/from_scwrl_1552600764_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1552600764_a.pdb or /var/tmp/from_scwrl_1552600764_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1552600764.pdb or /var/tmp/from_scwrl_1552600764_b.pdb or /var/tmp/from_scwrl_1552600764_a.pdb Error: no new SCWRL conformation added # 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 97 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_343943163.pdb -s /var/tmp/to_scwrl_343943163.seq -o /var/tmp/from_scwrl_343943163.pdb > /var/tmp/scwrl_343943163.log sh: /var/tmp/scwrl_343943163.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_343943163.pdb or /var/tmp/from_scwrl_343943163.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_343943163_b.pdb or decoys//var/tmp/from_scwrl_343943163_b.pdb.gz for input Trying /var/tmp/from_scwrl_343943163_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_343943163_b.pdb or /var/tmp/from_scwrl_343943163_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_343943163_a.pdb or decoys//var/tmp/from_scwrl_343943163_a.pdb.gz for input Trying /var/tmp/from_scwrl_343943163_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_343943163_a.pdb or /var/tmp/from_scwrl_343943163_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_343943163.pdb or /var/tmp/from_scwrl_343943163_b.pdb or /var/tmp/from_scwrl_343943163_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_563706255.pdb -s /var/tmp/to_scwrl_563706255.seq -o /var/tmp/from_scwrl_563706255.pdb > /var/tmp/scwrl_563706255.log sh: /var/tmp/scwrl_563706255.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_563706255.pdb or /var/tmp/from_scwrl_563706255.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_563706255_b.pdb or decoys//var/tmp/from_scwrl_563706255_b.pdb.gz for input Trying /var/tmp/from_scwrl_563706255_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_563706255_b.pdb or /var/tmp/from_scwrl_563706255_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_563706255_a.pdb or decoys//var/tmp/from_scwrl_563706255_a.pdb.gz for input Trying /var/tmp/from_scwrl_563706255_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_563706255_a.pdb or /var/tmp/from_scwrl_563706255_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_563706255.pdb or /var/tmp/from_scwrl_563706255_b.pdb or /var/tmp/from_scwrl_563706255_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_684519585.pdb -s /var/tmp/to_scwrl_684519585.seq -o /var/tmp/from_scwrl_684519585.pdb > /var/tmp/scwrl_684519585.log sh: /var/tmp/scwrl_684519585.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_684519585.pdb or /var/tmp/from_scwrl_684519585.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684519585_b.pdb or decoys//var/tmp/from_scwrl_684519585_b.pdb.gz for input Trying /var/tmp/from_scwrl_684519585_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_684519585_b.pdb or /var/tmp/from_scwrl_684519585_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684519585_a.pdb or decoys//var/tmp/from_scwrl_684519585_a.pdb.gz for input Trying /var/tmp/from_scwrl_684519585_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_684519585_a.pdb or /var/tmp/from_scwrl_684519585_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_684519585.pdb or /var/tmp/from_scwrl_684519585_b.pdb or /var/tmp/from_scwrl_684519585_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1331374251.pdb -s /var/tmp/to_scwrl_1331374251.seq -o /var/tmp/from_scwrl_1331374251.pdb > /var/tmp/scwrl_1331374251.log sh: /var/tmp/scwrl_1331374251.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1331374251.pdb or /var/tmp/from_scwrl_1331374251.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331374251_b.pdb or decoys//var/tmp/from_scwrl_1331374251_b.pdb.gz for input Trying /var/tmp/from_scwrl_1331374251_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331374251_b.pdb or /var/tmp/from_scwrl_1331374251_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331374251_a.pdb or decoys//var/tmp/from_scwrl_1331374251_a.pdb.gz for input Trying /var/tmp/from_scwrl_1331374251_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331374251_a.pdb or /var/tmp/from_scwrl_1331374251_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1331374251.pdb or /var/tmp/from_scwrl_1331374251_b.pdb or /var/tmp/from_scwrl_1331374251_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1638147519.pdb -s /var/tmp/to_scwrl_1638147519.seq -o /var/tmp/from_scwrl_1638147519.pdb > /var/tmp/scwrl_1638147519.log sh: /var/tmp/scwrl_1638147519.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1638147519.pdb or /var/tmp/from_scwrl_1638147519.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1638147519_b.pdb or decoys//var/tmp/from_scwrl_1638147519_b.pdb.gz for input Trying /var/tmp/from_scwrl_1638147519_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1638147519_b.pdb or /var/tmp/from_scwrl_1638147519_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1638147519_a.pdb or decoys//var/tmp/from_scwrl_1638147519_a.pdb.gz for input Trying /var/tmp/from_scwrl_1638147519_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1638147519_a.pdb or /var/tmp/from_scwrl_1638147519_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1638147519.pdb or /var/tmp/from_scwrl_1638147519_b.pdb or /var/tmp/from_scwrl_1638147519_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1414222628.pdb -s /var/tmp/to_scwrl_1414222628.seq -o /var/tmp/from_scwrl_1414222628.pdb > /var/tmp/scwrl_1414222628.log sh: /var/tmp/scwrl_1414222628.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1414222628.pdb or /var/tmp/from_scwrl_1414222628.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1414222628_b.pdb or decoys//var/tmp/from_scwrl_1414222628_b.pdb.gz for input Trying /var/tmp/from_scwrl_1414222628_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1414222628_b.pdb or /var/tmp/from_scwrl_1414222628_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1414222628_a.pdb or decoys//var/tmp/from_scwrl_1414222628_a.pdb.gz for input Trying /var/tmp/from_scwrl_1414222628_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1414222628_a.pdb or /var/tmp/from_scwrl_1414222628_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1414222628.pdb or /var/tmp/from_scwrl_1414222628_b.pdb or /var/tmp/from_scwrl_1414222628_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1903446442.pdb -s /var/tmp/to_scwrl_1903446442.seq -o /var/tmp/from_scwrl_1903446442.pdb > /var/tmp/scwrl_1903446442.log sh: /var/tmp/scwrl_1903446442.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1903446442.pdb or /var/tmp/from_scwrl_1903446442.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1903446442_b.pdb or decoys//var/tmp/from_scwrl_1903446442_b.pdb.gz for input Trying /var/tmp/from_scwrl_1903446442_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1903446442_b.pdb or /var/tmp/from_scwrl_1903446442_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1903446442_a.pdb or decoys//var/tmp/from_scwrl_1903446442_a.pdb.gz for input Trying /var/tmp/from_scwrl_1903446442_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1903446442_a.pdb or /var/tmp/from_scwrl_1903446442_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1903446442.pdb or /var/tmp/from_scwrl_1903446442_b.pdb or /var/tmp/from_scwrl_1903446442_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_912006687.pdb -s /var/tmp/to_scwrl_912006687.seq -o /var/tmp/from_scwrl_912006687.pdb > /var/tmp/scwrl_912006687.log sh: /var/tmp/scwrl_912006687.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_912006687.pdb or /var/tmp/from_scwrl_912006687.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_912006687_b.pdb or decoys//var/tmp/from_scwrl_912006687_b.pdb.gz for input Trying /var/tmp/from_scwrl_912006687_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_912006687_b.pdb or /var/tmp/from_scwrl_912006687_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_912006687_a.pdb or decoys//var/tmp/from_scwrl_912006687_a.pdb.gz for input Trying /var/tmp/from_scwrl_912006687_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_912006687_a.pdb or /var/tmp/from_scwrl_912006687_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_912006687.pdb or /var/tmp/from_scwrl_912006687_b.pdb or /var/tmp/from_scwrl_912006687_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_191896597.pdb -s /var/tmp/to_scwrl_191896597.seq -o /var/tmp/from_scwrl_191896597.pdb > /var/tmp/scwrl_191896597.log sh: /var/tmp/scwrl_191896597.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_191896597.pdb or /var/tmp/from_scwrl_191896597.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_191896597_b.pdb or decoys//var/tmp/from_scwrl_191896597_b.pdb.gz for input Trying /var/tmp/from_scwrl_191896597_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_191896597_b.pdb or /var/tmp/from_scwrl_191896597_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_191896597_a.pdb or decoys//var/tmp/from_scwrl_191896597_a.pdb.gz for input Trying /var/tmp/from_scwrl_191896597_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_191896597_a.pdb or /var/tmp/from_scwrl_191896597_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_191896597.pdb or /var/tmp/from_scwrl_191896597_b.pdb or /var/tmp/from_scwrl_191896597_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_326724688.pdb -s /var/tmp/to_scwrl_326724688.seq -o /var/tmp/from_scwrl_326724688.pdb > /var/tmp/scwrl_326724688.log sh: /var/tmp/scwrl_326724688.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_326724688.pdb or /var/tmp/from_scwrl_326724688.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_326724688_b.pdb or decoys//var/tmp/from_scwrl_326724688_b.pdb.gz for input Trying /var/tmp/from_scwrl_326724688_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_326724688_b.pdb or /var/tmp/from_scwrl_326724688_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_326724688_a.pdb or decoys//var/tmp/from_scwrl_326724688_a.pdb.gz for input Trying /var/tmp/from_scwrl_326724688_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_326724688_a.pdb or /var/tmp/from_scwrl_326724688_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_326724688.pdb or /var/tmp/from_scwrl_326724688_b.pdb or /var/tmp/from_scwrl_326724688_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_72834818.pdb -s /var/tmp/to_scwrl_72834818.seq -o /var/tmp/from_scwrl_72834818.pdb > /var/tmp/scwrl_72834818.log sh: /var/tmp/scwrl_72834818.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_72834818.pdb or /var/tmp/from_scwrl_72834818.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_72834818_b.pdb or decoys//var/tmp/from_scwrl_72834818_b.pdb.gz for input Trying /var/tmp/from_scwrl_72834818_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_72834818_b.pdb or /var/tmp/from_scwrl_72834818_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_72834818_a.pdb or decoys//var/tmp/from_scwrl_72834818_a.pdb.gz for input Trying /var/tmp/from_scwrl_72834818_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_72834818_a.pdb or /var/tmp/from_scwrl_72834818_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_72834818.pdb or /var/tmp/from_scwrl_72834818_b.pdb or /var/tmp/from_scwrl_72834818_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1497995419.pdb -s /var/tmp/to_scwrl_1497995419.seq -o /var/tmp/from_scwrl_1497995419.pdb > /var/tmp/scwrl_1497995419.log sh: /var/tmp/scwrl_1497995419.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1497995419.pdb or /var/tmp/from_scwrl_1497995419.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1497995419_b.pdb or decoys//var/tmp/from_scwrl_1497995419_b.pdb.gz for input Trying /var/tmp/from_scwrl_1497995419_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1497995419_b.pdb or /var/tmp/from_scwrl_1497995419_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1497995419_a.pdb or decoys//var/tmp/from_scwrl_1497995419_a.pdb.gz for input Trying /var/tmp/from_scwrl_1497995419_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1497995419_a.pdb or /var/tmp/from_scwrl_1497995419_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1497995419.pdb or /var/tmp/from_scwrl_1497995419_b.pdb or /var/tmp/from_scwrl_1497995419_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_913507087.pdb -s /var/tmp/to_scwrl_913507087.seq -o /var/tmp/from_scwrl_913507087.pdb > /var/tmp/scwrl_913507087.log sh: /var/tmp/scwrl_913507087.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_913507087.pdb or /var/tmp/from_scwrl_913507087.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913507087_b.pdb or decoys//var/tmp/from_scwrl_913507087_b.pdb.gz for input Trying /var/tmp/from_scwrl_913507087_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_913507087_b.pdb or /var/tmp/from_scwrl_913507087_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913507087_a.pdb or decoys//var/tmp/from_scwrl_913507087_a.pdb.gz for input Trying /var/tmp/from_scwrl_913507087_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_913507087_a.pdb or /var/tmp/from_scwrl_913507087_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_913507087.pdb or /var/tmp/from_scwrl_913507087_b.pdb or /var/tmp/from_scwrl_913507087_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2128474394.pdb -s /var/tmp/to_scwrl_2128474394.seq -o /var/tmp/from_scwrl_2128474394.pdb > /var/tmp/scwrl_2128474394.log sh: /var/tmp/scwrl_2128474394.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2128474394.pdb or /var/tmp/from_scwrl_2128474394.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2128474394_b.pdb or decoys//var/tmp/from_scwrl_2128474394_b.pdb.gz for input Trying /var/tmp/from_scwrl_2128474394_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2128474394_b.pdb or /var/tmp/from_scwrl_2128474394_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2128474394_a.pdb or decoys//var/tmp/from_scwrl_2128474394_a.pdb.gz for input Trying /var/tmp/from_scwrl_2128474394_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2128474394_a.pdb or /var/tmp/from_scwrl_2128474394_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2128474394.pdb or /var/tmp/from_scwrl_2128474394_b.pdb or /var/tmp/from_scwrl_2128474394_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_355935989.pdb -s /var/tmp/to_scwrl_355935989.seq -o /var/tmp/from_scwrl_355935989.pdb > /var/tmp/scwrl_355935989.log sh: /var/tmp/scwrl_355935989.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_355935989.pdb or /var/tmp/from_scwrl_355935989.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_355935989_b.pdb or decoys//var/tmp/from_scwrl_355935989_b.pdb.gz for input Trying /var/tmp/from_scwrl_355935989_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_355935989_b.pdb or /var/tmp/from_scwrl_355935989_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_355935989_a.pdb or decoys//var/tmp/from_scwrl_355935989_a.pdb.gz for input Trying /var/tmp/from_scwrl_355935989_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_355935989_a.pdb or /var/tmp/from_scwrl_355935989_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_355935989.pdb or /var/tmp/from_scwrl_355935989_b.pdb or /var/tmp/from_scwrl_355935989_a.pdb Error: no new SCWRL conformation added # 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 97 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1371149604.pdb -s /var/tmp/to_scwrl_1371149604.seq -o /var/tmp/from_scwrl_1371149604.pdb > /var/tmp/scwrl_1371149604.log sh: /var/tmp/scwrl_1371149604.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1371149604.pdb or /var/tmp/from_scwrl_1371149604.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1371149604_b.pdb or decoys//var/tmp/from_scwrl_1371149604_b.pdb.gz for input Trying /var/tmp/from_scwrl_1371149604_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1371149604_b.pdb or /var/tmp/from_scwrl_1371149604_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1371149604_a.pdb or decoys//var/tmp/from_scwrl_1371149604_a.pdb.gz for input Trying /var/tmp/from_scwrl_1371149604_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1371149604_a.pdb or /var/tmp/from_scwrl_1371149604_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1371149604.pdb or /var/tmp/from_scwrl_1371149604_b.pdb or /var/tmp/from_scwrl_1371149604_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1797841960.pdb -s /var/tmp/to_scwrl_1797841960.seq -o /var/tmp/from_scwrl_1797841960.pdb > /var/tmp/scwrl_1797841960.log sh: /var/tmp/scwrl_1797841960.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1797841960.pdb or /var/tmp/from_scwrl_1797841960.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1797841960_b.pdb or decoys//var/tmp/from_scwrl_1797841960_b.pdb.gz for input Trying /var/tmp/from_scwrl_1797841960_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1797841960_b.pdb or /var/tmp/from_scwrl_1797841960_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1797841960_a.pdb or decoys//var/tmp/from_scwrl_1797841960_a.pdb.gz for input Trying /var/tmp/from_scwrl_1797841960_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1797841960_a.pdb or /var/tmp/from_scwrl_1797841960_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1797841960.pdb or /var/tmp/from_scwrl_1797841960_b.pdb or /var/tmp/from_scwrl_1797841960_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_353091771.pdb -s /var/tmp/to_scwrl_353091771.seq -o /var/tmp/from_scwrl_353091771.pdb > /var/tmp/scwrl_353091771.log sh: /var/tmp/scwrl_353091771.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_353091771.pdb or /var/tmp/from_scwrl_353091771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_353091771_b.pdb or decoys//var/tmp/from_scwrl_353091771_b.pdb.gz for input Trying /var/tmp/from_scwrl_353091771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_353091771_b.pdb or /var/tmp/from_scwrl_353091771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_353091771_a.pdb or decoys//var/tmp/from_scwrl_353091771_a.pdb.gz for input Trying /var/tmp/from_scwrl_353091771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_353091771_a.pdb or /var/tmp/from_scwrl_353091771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_353091771.pdb or /var/tmp/from_scwrl_353091771_b.pdb or /var/tmp/from_scwrl_353091771_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_479287230.pdb -s /var/tmp/to_scwrl_479287230.seq -o /var/tmp/from_scwrl_479287230.pdb > /var/tmp/scwrl_479287230.log sh: /var/tmp/scwrl_479287230.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_479287230.pdb or /var/tmp/from_scwrl_479287230.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_479287230_b.pdb or decoys//var/tmp/from_scwrl_479287230_b.pdb.gz for input Trying /var/tmp/from_scwrl_479287230_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_479287230_b.pdb or /var/tmp/from_scwrl_479287230_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_479287230_a.pdb or decoys//var/tmp/from_scwrl_479287230_a.pdb.gz for input Trying /var/tmp/from_scwrl_479287230_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_479287230_a.pdb or /var/tmp/from_scwrl_479287230_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_479287230.pdb or /var/tmp/from_scwrl_479287230_b.pdb or /var/tmp/from_scwrl_479287230_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1187844375.pdb -s /var/tmp/to_scwrl_1187844375.seq -o /var/tmp/from_scwrl_1187844375.pdb > /var/tmp/scwrl_1187844375.log sh: /var/tmp/scwrl_1187844375.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1187844375.pdb or /var/tmp/from_scwrl_1187844375.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187844375_b.pdb or decoys//var/tmp/from_scwrl_1187844375_b.pdb.gz for input Trying /var/tmp/from_scwrl_1187844375_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187844375_b.pdb or /var/tmp/from_scwrl_1187844375_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187844375_a.pdb or decoys//var/tmp/from_scwrl_1187844375_a.pdb.gz for input Trying /var/tmp/from_scwrl_1187844375_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187844375_a.pdb or /var/tmp/from_scwrl_1187844375_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1187844375.pdb or /var/tmp/from_scwrl_1187844375_b.pdb or /var/tmp/from_scwrl_1187844375_a.pdb Error: no new SCWRL conformation added # 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 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_153204350.pdb -s /var/tmp/to_scwrl_153204350.seq -o /var/tmp/from_scwrl_153204350.pdb > /var/tmp/scwrl_153204350.log sh: /var/tmp/scwrl_153204350.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_153204350.pdb or /var/tmp/from_scwrl_153204350.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_153204350_b.pdb or decoys//var/tmp/from_scwrl_153204350_b.pdb.gz for input Trying /var/tmp/from_scwrl_153204350_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_153204350_b.pdb or /var/tmp/from_scwrl_153204350_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_153204350_a.pdb or decoys//var/tmp/from_scwrl_153204350_a.pdb.gz for input Trying /var/tmp/from_scwrl_153204350_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_153204350_a.pdb or /var/tmp/from_scwrl_153204350_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_153204350.pdb or /var/tmp/from_scwrl_153204350_b.pdb or /var/tmp/from_scwrl_153204350_a.pdb Error: no new SCWRL conformation added # 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 87 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1637415129.pdb -s /var/tmp/to_scwrl_1637415129.seq -o /var/tmp/from_scwrl_1637415129.pdb > /var/tmp/scwrl_1637415129.log sh: /var/tmp/scwrl_1637415129.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1637415129.pdb or /var/tmp/from_scwrl_1637415129.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1637415129_b.pdb or decoys//var/tmp/from_scwrl_1637415129_b.pdb.gz for input Trying /var/tmp/from_scwrl_1637415129_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1637415129_b.pdb or /var/tmp/from_scwrl_1637415129_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1637415129_a.pdb or decoys//var/tmp/from_scwrl_1637415129_a.pdb.gz for input Trying /var/tmp/from_scwrl_1637415129_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1637415129_a.pdb or /var/tmp/from_scwrl_1637415129_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1637415129.pdb or /var/tmp/from_scwrl_1637415129_b.pdb or /var/tmp/from_scwrl_1637415129_a.pdb Error: no new SCWRL conformation added # 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 103 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1356369141.pdb -s /var/tmp/to_scwrl_1356369141.seq -o /var/tmp/from_scwrl_1356369141.pdb > /var/tmp/scwrl_1356369141.log sh: /var/tmp/scwrl_1356369141.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1356369141.pdb or /var/tmp/from_scwrl_1356369141.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1356369141_b.pdb or decoys//var/tmp/from_scwrl_1356369141_b.pdb.gz for input Trying /var/tmp/from_scwrl_1356369141_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1356369141_b.pdb or /var/tmp/from_scwrl_1356369141_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1356369141_a.pdb or decoys//var/tmp/from_scwrl_1356369141_a.pdb.gz for input Trying /var/tmp/from_scwrl_1356369141_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1356369141_a.pdb or /var/tmp/from_scwrl_1356369141_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1356369141.pdb or /var/tmp/from_scwrl_1356369141_b.pdb or /var/tmp/from_scwrl_1356369141_a.pdb Error: no new SCWRL conformation added # 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 83 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_319001980.pdb -s /var/tmp/to_scwrl_319001980.seq -o /var/tmp/from_scwrl_319001980.pdb > /var/tmp/scwrl_319001980.log sh: /var/tmp/scwrl_319001980.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_319001980.pdb or /var/tmp/from_scwrl_319001980.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_319001980_b.pdb or decoys//var/tmp/from_scwrl_319001980_b.pdb.gz for input Trying /var/tmp/from_scwrl_319001980_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_319001980_b.pdb or /var/tmp/from_scwrl_319001980_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_319001980_a.pdb or decoys//var/tmp/from_scwrl_319001980_a.pdb.gz for input Trying /var/tmp/from_scwrl_319001980_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_319001980_a.pdb or /var/tmp/from_scwrl_319001980_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_319001980.pdb or /var/tmp/from_scwrl_319001980_b.pdb or /var/tmp/from_scwrl_319001980_a.pdb Error: no new SCWRL conformation added # 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 85 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_876292870.pdb -s /var/tmp/to_scwrl_876292870.seq -o /var/tmp/from_scwrl_876292870.pdb > /var/tmp/scwrl_876292870.log sh: /var/tmp/scwrl_876292870.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_876292870.pdb or /var/tmp/from_scwrl_876292870.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_876292870_b.pdb or decoys//var/tmp/from_scwrl_876292870_b.pdb.gz for input Trying /var/tmp/from_scwrl_876292870_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_876292870_b.pdb or /var/tmp/from_scwrl_876292870_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_876292870_a.pdb or decoys//var/tmp/from_scwrl_876292870_a.pdb.gz for input Trying /var/tmp/from_scwrl_876292870_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_876292870_a.pdb or /var/tmp/from_scwrl_876292870_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_876292870.pdb or /var/tmp/from_scwrl_876292870_b.pdb or /var/tmp/from_scwrl_876292870_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1698748440.pdb -s /var/tmp/to_scwrl_1698748440.seq -o /var/tmp/from_scwrl_1698748440.pdb > /var/tmp/scwrl_1698748440.log sh: /var/tmp/scwrl_1698748440.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1698748440.pdb or /var/tmp/from_scwrl_1698748440.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1698748440_b.pdb or decoys//var/tmp/from_scwrl_1698748440_b.pdb.gz for input Trying /var/tmp/from_scwrl_1698748440_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1698748440_b.pdb or /var/tmp/from_scwrl_1698748440_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1698748440_a.pdb or decoys//var/tmp/from_scwrl_1698748440_a.pdb.gz for input Trying /var/tmp/from_scwrl_1698748440_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1698748440_a.pdb or /var/tmp/from_scwrl_1698748440_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1698748440.pdb or /var/tmp/from_scwrl_1698748440_b.pdb or /var/tmp/from_scwrl_1698748440_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1578094825.pdb -s /var/tmp/to_scwrl_1578094825.seq -o /var/tmp/from_scwrl_1578094825.pdb > /var/tmp/scwrl_1578094825.log sh: /var/tmp/scwrl_1578094825.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1578094825.pdb or /var/tmp/from_scwrl_1578094825.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1578094825_b.pdb or decoys//var/tmp/from_scwrl_1578094825_b.pdb.gz for input Trying /var/tmp/from_scwrl_1578094825_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1578094825_b.pdb or /var/tmp/from_scwrl_1578094825_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1578094825_a.pdb or decoys//var/tmp/from_scwrl_1578094825_a.pdb.gz for input Trying /var/tmp/from_scwrl_1578094825_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1578094825_a.pdb or /var/tmp/from_scwrl_1578094825_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1578094825.pdb or /var/tmp/from_scwrl_1578094825_b.pdb or /var/tmp/from_scwrl_1578094825_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 18 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_596832628.pdb -s /var/tmp/to_scwrl_596832628.seq -o /var/tmp/from_scwrl_596832628.pdb > /var/tmp/scwrl_596832628.log sh: /var/tmp/scwrl_596832628.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_596832628.pdb or /var/tmp/from_scwrl_596832628.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_596832628_b.pdb or decoys//var/tmp/from_scwrl_596832628_b.pdb.gz for input Trying /var/tmp/from_scwrl_596832628_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_596832628_b.pdb or /var/tmp/from_scwrl_596832628_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_596832628_a.pdb or decoys//var/tmp/from_scwrl_596832628_a.pdb.gz for input Trying /var/tmp/from_scwrl_596832628_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_596832628_a.pdb or /var/tmp/from_scwrl_596832628_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_596832628.pdb or /var/tmp/from_scwrl_596832628_b.pdb or /var/tmp/from_scwrl_596832628_a.pdb Error: no new SCWRL conformation added # 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 15 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_798058869.pdb -s /var/tmp/to_scwrl_798058869.seq -o /var/tmp/from_scwrl_798058869.pdb > /var/tmp/scwrl_798058869.log sh: /var/tmp/scwrl_798058869.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_798058869.pdb or /var/tmp/from_scwrl_798058869.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_798058869_b.pdb or decoys//var/tmp/from_scwrl_798058869_b.pdb.gz for input Trying /var/tmp/from_scwrl_798058869_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_798058869_b.pdb or /var/tmp/from_scwrl_798058869_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_798058869_a.pdb or decoys//var/tmp/from_scwrl_798058869_a.pdb.gz for input Trying /var/tmp/from_scwrl_798058869_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_798058869_a.pdb or /var/tmp/from_scwrl_798058869_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_798058869.pdb or /var/tmp/from_scwrl_798058869_b.pdb or /var/tmp/from_scwrl_798058869_a.pdb Error: no new SCWRL conformation added # 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 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1644246615.pdb -s /var/tmp/to_scwrl_1644246615.seq -o /var/tmp/from_scwrl_1644246615.pdb > /var/tmp/scwrl_1644246615.log sh: /var/tmp/scwrl_1644246615.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1644246615.pdb or /var/tmp/from_scwrl_1644246615.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1644246615_b.pdb or decoys//var/tmp/from_scwrl_1644246615_b.pdb.gz for input Trying /var/tmp/from_scwrl_1644246615_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1644246615_b.pdb or /var/tmp/from_scwrl_1644246615_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1644246615_a.pdb or decoys//var/tmp/from_scwrl_1644246615_a.pdb.gz for input Trying /var/tmp/from_scwrl_1644246615_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1644246615_a.pdb or /var/tmp/from_scwrl_1644246615_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1644246615.pdb or /var/tmp/from_scwrl_1644246615_b.pdb or /var/tmp/from_scwrl_1644246615_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1949745.pdb -s /var/tmp/to_scwrl_1949745.seq -o /var/tmp/from_scwrl_1949745.pdb > /var/tmp/scwrl_1949745.log sh: /var/tmp/scwrl_1949745.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1949745.pdb or /var/tmp/from_scwrl_1949745.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949745_b.pdb or decoys//var/tmp/from_scwrl_1949745_b.pdb.gz for input Trying /var/tmp/from_scwrl_1949745_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949745_b.pdb or /var/tmp/from_scwrl_1949745_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949745_a.pdb or decoys//var/tmp/from_scwrl_1949745_a.pdb.gz for input Trying /var/tmp/from_scwrl_1949745_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949745_a.pdb or /var/tmp/from_scwrl_1949745_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1949745.pdb or /var/tmp/from_scwrl_1949745_b.pdb or /var/tmp/from_scwrl_1949745_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1142002032.pdb -s /var/tmp/to_scwrl_1142002032.seq -o /var/tmp/from_scwrl_1142002032.pdb > /var/tmp/scwrl_1142002032.log sh: /var/tmp/scwrl_1142002032.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1142002032.pdb or /var/tmp/from_scwrl_1142002032.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1142002032_b.pdb or decoys//var/tmp/from_scwrl_1142002032_b.pdb.gz for input Trying /var/tmp/from_scwrl_1142002032_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1142002032_b.pdb or /var/tmp/from_scwrl_1142002032_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1142002032_a.pdb or decoys//var/tmp/from_scwrl_1142002032_a.pdb.gz for input Trying /var/tmp/from_scwrl_1142002032_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1142002032_a.pdb or /var/tmp/from_scwrl_1142002032_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1142002032.pdb or /var/tmp/from_scwrl_1142002032_b.pdb or /var/tmp/from_scwrl_1142002032_a.pdb Error: no new SCWRL conformation added # 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 1 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_60469223.pdb -s /var/tmp/to_scwrl_60469223.seq -o /var/tmp/from_scwrl_60469223.pdb > /var/tmp/scwrl_60469223.log sh: /var/tmp/scwrl_60469223.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_60469223.pdb or /var/tmp/from_scwrl_60469223.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_60469223_b.pdb or decoys//var/tmp/from_scwrl_60469223_b.pdb.gz for input Trying /var/tmp/from_scwrl_60469223_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_60469223_b.pdb or /var/tmp/from_scwrl_60469223_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_60469223_a.pdb or decoys//var/tmp/from_scwrl_60469223_a.pdb.gz for input Trying /var/tmp/from_scwrl_60469223_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_60469223_a.pdb or /var/tmp/from_scwrl_60469223_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_60469223.pdb or /var/tmp/from_scwrl_60469223_b.pdb or /var/tmp/from_scwrl_60469223_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_686469330.pdb -s /var/tmp/to_scwrl_686469330.seq -o /var/tmp/from_scwrl_686469330.pdb > /var/tmp/scwrl_686469330.log sh: /var/tmp/scwrl_686469330.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_686469330.pdb or /var/tmp/from_scwrl_686469330.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_686469330_b.pdb or decoys//var/tmp/from_scwrl_686469330_b.pdb.gz for input Trying /var/tmp/from_scwrl_686469330_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_686469330_b.pdb or /var/tmp/from_scwrl_686469330_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_686469330_a.pdb or decoys//var/tmp/from_scwrl_686469330_a.pdb.gz for input Trying /var/tmp/from_scwrl_686469330_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_686469330_a.pdb or /var/tmp/from_scwrl_686469330_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_686469330.pdb or /var/tmp/from_scwrl_686469330_b.pdb or /var/tmp/from_scwrl_686469330_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_325892637.pdb -s /var/tmp/to_scwrl_325892637.seq -o /var/tmp/from_scwrl_325892637.pdb > /var/tmp/scwrl_325892637.log sh: /var/tmp/scwrl_325892637.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_325892637.pdb or /var/tmp/from_scwrl_325892637.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_325892637_b.pdb or decoys//var/tmp/from_scwrl_325892637_b.pdb.gz for input Trying /var/tmp/from_scwrl_325892637_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_325892637_b.pdb or /var/tmp/from_scwrl_325892637_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_325892637_a.pdb or decoys//var/tmp/from_scwrl_325892637_a.pdb.gz for input Trying /var/tmp/from_scwrl_325892637_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_325892637_a.pdb or /var/tmp/from_scwrl_325892637_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_325892637.pdb or /var/tmp/from_scwrl_325892637_b.pdb or /var/tmp/from_scwrl_325892637_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1698616743.pdb -s /var/tmp/to_scwrl_1698616743.seq -o /var/tmp/from_scwrl_1698616743.pdb > /var/tmp/scwrl_1698616743.log sh: /var/tmp/scwrl_1698616743.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1698616743.pdb or /var/tmp/from_scwrl_1698616743.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1698616743_b.pdb or decoys//var/tmp/from_scwrl_1698616743_b.pdb.gz for input Trying /var/tmp/from_scwrl_1698616743_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1698616743_b.pdb or /var/tmp/from_scwrl_1698616743_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1698616743_a.pdb or decoys//var/tmp/from_scwrl_1698616743_a.pdb.gz for input Trying /var/tmp/from_scwrl_1698616743_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1698616743_a.pdb or /var/tmp/from_scwrl_1698616743_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1698616743.pdb or /var/tmp/from_scwrl_1698616743_b.pdb or /var/tmp/from_scwrl_1698616743_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2100691959.pdb -s /var/tmp/to_scwrl_2100691959.seq -o /var/tmp/from_scwrl_2100691959.pdb > /var/tmp/scwrl_2100691959.log sh: /var/tmp/scwrl_2100691959.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2100691959.pdb or /var/tmp/from_scwrl_2100691959.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2100691959_b.pdb or decoys//var/tmp/from_scwrl_2100691959_b.pdb.gz for input Trying /var/tmp/from_scwrl_2100691959_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2100691959_b.pdb or /var/tmp/from_scwrl_2100691959_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2100691959_a.pdb or decoys//var/tmp/from_scwrl_2100691959_a.pdb.gz for input Trying /var/tmp/from_scwrl_2100691959_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2100691959_a.pdb or /var/tmp/from_scwrl_2100691959_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2100691959.pdb or /var/tmp/from_scwrl_2100691959_b.pdb or /var/tmp/from_scwrl_2100691959_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_81855432.pdb -s /var/tmp/to_scwrl_81855432.seq -o /var/tmp/from_scwrl_81855432.pdb > /var/tmp/scwrl_81855432.log sh: /var/tmp/scwrl_81855432.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_81855432.pdb or /var/tmp/from_scwrl_81855432.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_81855432_b.pdb or decoys//var/tmp/from_scwrl_81855432_b.pdb.gz for input Trying /var/tmp/from_scwrl_81855432_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_81855432_b.pdb or /var/tmp/from_scwrl_81855432_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_81855432_a.pdb or decoys//var/tmp/from_scwrl_81855432_a.pdb.gz for input Trying /var/tmp/from_scwrl_81855432_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_81855432_a.pdb or /var/tmp/from_scwrl_81855432_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_81855432.pdb or /var/tmp/from_scwrl_81855432_b.pdb or /var/tmp/from_scwrl_81855432_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_463139783.pdb -s /var/tmp/to_scwrl_463139783.seq -o /var/tmp/from_scwrl_463139783.pdb > /var/tmp/scwrl_463139783.log sh: /var/tmp/scwrl_463139783.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_463139783.pdb or /var/tmp/from_scwrl_463139783.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_463139783_b.pdb or decoys//var/tmp/from_scwrl_463139783_b.pdb.gz for input Trying /var/tmp/from_scwrl_463139783_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_463139783_b.pdb or /var/tmp/from_scwrl_463139783_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_463139783_a.pdb or decoys//var/tmp/from_scwrl_463139783_a.pdb.gz for input Trying /var/tmp/from_scwrl_463139783_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_463139783_a.pdb or /var/tmp/from_scwrl_463139783_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_463139783.pdb or /var/tmp/from_scwrl_463139783_b.pdb or /var/tmp/from_scwrl_463139783_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_145104909.pdb -s /var/tmp/to_scwrl_145104909.seq -o /var/tmp/from_scwrl_145104909.pdb > /var/tmp/scwrl_145104909.log sh: /var/tmp/scwrl_145104909.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_145104909.pdb or /var/tmp/from_scwrl_145104909.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_145104909_b.pdb or decoys//var/tmp/from_scwrl_145104909_b.pdb.gz for input Trying /var/tmp/from_scwrl_145104909_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_145104909_b.pdb or /var/tmp/from_scwrl_145104909_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_145104909_a.pdb or decoys//var/tmp/from_scwrl_145104909_a.pdb.gz for input Trying /var/tmp/from_scwrl_145104909_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_145104909_a.pdb or /var/tmp/from_scwrl_145104909_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_145104909.pdb or /var/tmp/from_scwrl_145104909_b.pdb or /var/tmp/from_scwrl_145104909_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_408580120.pdb -s /var/tmp/to_scwrl_408580120.seq -o /var/tmp/from_scwrl_408580120.pdb > /var/tmp/scwrl_408580120.log sh: /var/tmp/scwrl_408580120.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_408580120.pdb or /var/tmp/from_scwrl_408580120.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_408580120_b.pdb or decoys//var/tmp/from_scwrl_408580120_b.pdb.gz for input Trying /var/tmp/from_scwrl_408580120_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_408580120_b.pdb or /var/tmp/from_scwrl_408580120_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_408580120_a.pdb or decoys//var/tmp/from_scwrl_408580120_a.pdb.gz for input Trying /var/tmp/from_scwrl_408580120_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_408580120_a.pdb or /var/tmp/from_scwrl_408580120_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_408580120.pdb or /var/tmp/from_scwrl_408580120_b.pdb or /var/tmp/from_scwrl_408580120_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_535974602.pdb -s /var/tmp/to_scwrl_535974602.seq -o /var/tmp/from_scwrl_535974602.pdb > /var/tmp/scwrl_535974602.log sh: /var/tmp/scwrl_535974602.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_535974602.pdb or /var/tmp/from_scwrl_535974602.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_535974602_b.pdb or decoys//var/tmp/from_scwrl_535974602_b.pdb.gz for input Trying /var/tmp/from_scwrl_535974602_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_535974602_b.pdb or /var/tmp/from_scwrl_535974602_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_535974602_a.pdb or decoys//var/tmp/from_scwrl_535974602_a.pdb.gz for input Trying /var/tmp/from_scwrl_535974602_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_535974602_a.pdb or /var/tmp/from_scwrl_535974602_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_535974602.pdb or /var/tmp/from_scwrl_535974602_b.pdb or /var/tmp/from_scwrl_535974602_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1643100329.pdb -s /var/tmp/to_scwrl_1643100329.seq -o /var/tmp/from_scwrl_1643100329.pdb > /var/tmp/scwrl_1643100329.log sh: /var/tmp/scwrl_1643100329.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1643100329.pdb or /var/tmp/from_scwrl_1643100329.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1643100329_b.pdb or decoys//var/tmp/from_scwrl_1643100329_b.pdb.gz for input Trying /var/tmp/from_scwrl_1643100329_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1643100329_b.pdb or /var/tmp/from_scwrl_1643100329_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1643100329_a.pdb or decoys//var/tmp/from_scwrl_1643100329_a.pdb.gz for input Trying /var/tmp/from_scwrl_1643100329_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1643100329_a.pdb or /var/tmp/from_scwrl_1643100329_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1643100329.pdb or /var/tmp/from_scwrl_1643100329_b.pdb or /var/tmp/from_scwrl_1643100329_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1322087206.pdb -s /var/tmp/to_scwrl_1322087206.seq -o /var/tmp/from_scwrl_1322087206.pdb > /var/tmp/scwrl_1322087206.log sh: /var/tmp/scwrl_1322087206.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1322087206.pdb or /var/tmp/from_scwrl_1322087206.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1322087206_b.pdb or decoys//var/tmp/from_scwrl_1322087206_b.pdb.gz for input Trying /var/tmp/from_scwrl_1322087206_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1322087206_b.pdb or /var/tmp/from_scwrl_1322087206_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1322087206_a.pdb or decoys//var/tmp/from_scwrl_1322087206_a.pdb.gz for input Trying /var/tmp/from_scwrl_1322087206_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1322087206_a.pdb or /var/tmp/from_scwrl_1322087206_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1322087206.pdb or /var/tmp/from_scwrl_1322087206_b.pdb or /var/tmp/from_scwrl_1322087206_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_516965349.pdb -s /var/tmp/to_scwrl_516965349.seq -o /var/tmp/from_scwrl_516965349.pdb > /var/tmp/scwrl_516965349.log sh: /var/tmp/scwrl_516965349.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_516965349.pdb or /var/tmp/from_scwrl_516965349.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516965349_b.pdb or decoys//var/tmp/from_scwrl_516965349_b.pdb.gz for input Trying /var/tmp/from_scwrl_516965349_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_516965349_b.pdb or /var/tmp/from_scwrl_516965349_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516965349_a.pdb or decoys//var/tmp/from_scwrl_516965349_a.pdb.gz for input Trying /var/tmp/from_scwrl_516965349_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_516965349_a.pdb or /var/tmp/from_scwrl_516965349_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_516965349.pdb or /var/tmp/from_scwrl_516965349_b.pdb or /var/tmp/from_scwrl_516965349_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1999036318.pdb -s /var/tmp/to_scwrl_1999036318.seq -o /var/tmp/from_scwrl_1999036318.pdb > /var/tmp/scwrl_1999036318.log sh: /var/tmp/scwrl_1999036318.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1999036318.pdb or /var/tmp/from_scwrl_1999036318.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1999036318_b.pdb or decoys//var/tmp/from_scwrl_1999036318_b.pdb.gz for input Trying /var/tmp/from_scwrl_1999036318_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1999036318_b.pdb or /var/tmp/from_scwrl_1999036318_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1999036318_a.pdb or decoys//var/tmp/from_scwrl_1999036318_a.pdb.gz for input Trying /var/tmp/from_scwrl_1999036318_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1999036318_a.pdb or /var/tmp/from_scwrl_1999036318_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1999036318.pdb or /var/tmp/from_scwrl_1999036318_b.pdb or /var/tmp/from_scwrl_1999036318_a.pdb Error: no new SCWRL conformation added # 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 96 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_545753165.pdb -s /var/tmp/to_scwrl_545753165.seq -o /var/tmp/from_scwrl_545753165.pdb > /var/tmp/scwrl_545753165.log sh: /var/tmp/scwrl_545753165.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_545753165.pdb or /var/tmp/from_scwrl_545753165.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_545753165_b.pdb or decoys//var/tmp/from_scwrl_545753165_b.pdb.gz for input Trying /var/tmp/from_scwrl_545753165_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_545753165_b.pdb or /var/tmp/from_scwrl_545753165_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_545753165_a.pdb or decoys//var/tmp/from_scwrl_545753165_a.pdb.gz for input Trying /var/tmp/from_scwrl_545753165_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_545753165_a.pdb or /var/tmp/from_scwrl_545753165_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_545753165.pdb or /var/tmp/from_scwrl_545753165_b.pdb or /var/tmp/from_scwrl_545753165_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_167323662.pdb -s /var/tmp/to_scwrl_167323662.seq -o /var/tmp/from_scwrl_167323662.pdb > /var/tmp/scwrl_167323662.log sh: /var/tmp/scwrl_167323662.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_167323662.pdb or /var/tmp/from_scwrl_167323662.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_167323662_b.pdb or decoys//var/tmp/from_scwrl_167323662_b.pdb.gz for input Trying /var/tmp/from_scwrl_167323662_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_167323662_b.pdb or /var/tmp/from_scwrl_167323662_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_167323662_a.pdb or decoys//var/tmp/from_scwrl_167323662_a.pdb.gz for input Trying /var/tmp/from_scwrl_167323662_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_167323662_a.pdb or /var/tmp/from_scwrl_167323662_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_167323662.pdb or /var/tmp/from_scwrl_167323662_b.pdb or /var/tmp/from_scwrl_167323662_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_204644442.pdb -s /var/tmp/to_scwrl_204644442.seq -o /var/tmp/from_scwrl_204644442.pdb > /var/tmp/scwrl_204644442.log sh: /var/tmp/scwrl_204644442.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_204644442.pdb or /var/tmp/from_scwrl_204644442.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_204644442_b.pdb or decoys//var/tmp/from_scwrl_204644442_b.pdb.gz for input Trying /var/tmp/from_scwrl_204644442_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_204644442_b.pdb or /var/tmp/from_scwrl_204644442_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_204644442_a.pdb or decoys//var/tmp/from_scwrl_204644442_a.pdb.gz for input Trying /var/tmp/from_scwrl_204644442_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_204644442_a.pdb or /var/tmp/from_scwrl_204644442_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_204644442.pdb or /var/tmp/from_scwrl_204644442_b.pdb or /var/tmp/from_scwrl_204644442_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1025040395.pdb -s /var/tmp/to_scwrl_1025040395.seq -o /var/tmp/from_scwrl_1025040395.pdb > /var/tmp/scwrl_1025040395.log sh: /var/tmp/scwrl_1025040395.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1025040395.pdb or /var/tmp/from_scwrl_1025040395.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1025040395_b.pdb or decoys//var/tmp/from_scwrl_1025040395_b.pdb.gz for input Trying /var/tmp/from_scwrl_1025040395_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1025040395_b.pdb or /var/tmp/from_scwrl_1025040395_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1025040395_a.pdb or decoys//var/tmp/from_scwrl_1025040395_a.pdb.gz for input Trying /var/tmp/from_scwrl_1025040395_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1025040395_a.pdb or /var/tmp/from_scwrl_1025040395_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1025040395.pdb or /var/tmp/from_scwrl_1025040395_b.pdb or /var/tmp/from_scwrl_1025040395_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1355168037.pdb -s /var/tmp/to_scwrl_1355168037.seq -o /var/tmp/from_scwrl_1355168037.pdb > /var/tmp/scwrl_1355168037.log sh: /var/tmp/scwrl_1355168037.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1355168037.pdb or /var/tmp/from_scwrl_1355168037.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1355168037_b.pdb or decoys//var/tmp/from_scwrl_1355168037_b.pdb.gz for input Trying /var/tmp/from_scwrl_1355168037_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1355168037_b.pdb or /var/tmp/from_scwrl_1355168037_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1355168037_a.pdb or decoys//var/tmp/from_scwrl_1355168037_a.pdb.gz for input Trying /var/tmp/from_scwrl_1355168037_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1355168037_a.pdb or /var/tmp/from_scwrl_1355168037_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1355168037.pdb or /var/tmp/from_scwrl_1355168037_b.pdb or /var/tmp/from_scwrl_1355168037_a.pdb Error: no new SCWRL conformation added # 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 38 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_357848792.pdb -s /var/tmp/to_scwrl_357848792.seq -o /var/tmp/from_scwrl_357848792.pdb > /var/tmp/scwrl_357848792.log sh: /var/tmp/scwrl_357848792.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_357848792.pdb or /var/tmp/from_scwrl_357848792.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357848792_b.pdb or decoys//var/tmp/from_scwrl_357848792_b.pdb.gz for input Trying /var/tmp/from_scwrl_357848792_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_357848792_b.pdb or /var/tmp/from_scwrl_357848792_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357848792_a.pdb or decoys//var/tmp/from_scwrl_357848792_a.pdb.gz for input Trying /var/tmp/from_scwrl_357848792_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_357848792_a.pdb or /var/tmp/from_scwrl_357848792_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_357848792.pdb or /var/tmp/from_scwrl_357848792_b.pdb or /var/tmp/from_scwrl_357848792_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_514971878.pdb -s /var/tmp/to_scwrl_514971878.seq -o /var/tmp/from_scwrl_514971878.pdb > /var/tmp/scwrl_514971878.log sh: /var/tmp/scwrl_514971878.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_514971878.pdb or /var/tmp/from_scwrl_514971878.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_514971878_b.pdb or decoys//var/tmp/from_scwrl_514971878_b.pdb.gz for input Trying /var/tmp/from_scwrl_514971878_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_514971878_b.pdb or /var/tmp/from_scwrl_514971878_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_514971878_a.pdb or decoys//var/tmp/from_scwrl_514971878_a.pdb.gz for input Trying /var/tmp/from_scwrl_514971878_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_514971878_a.pdb or /var/tmp/from_scwrl_514971878_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_514971878.pdb or /var/tmp/from_scwrl_514971878_b.pdb or /var/tmp/from_scwrl_514971878_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_564053533.pdb -s /var/tmp/to_scwrl_564053533.seq -o /var/tmp/from_scwrl_564053533.pdb > /var/tmp/scwrl_564053533.log sh: /var/tmp/scwrl_564053533.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_564053533.pdb or /var/tmp/from_scwrl_564053533.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_564053533_b.pdb or decoys//var/tmp/from_scwrl_564053533_b.pdb.gz for input Trying /var/tmp/from_scwrl_564053533_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_564053533_b.pdb or /var/tmp/from_scwrl_564053533_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_564053533_a.pdb or decoys//var/tmp/from_scwrl_564053533_a.pdb.gz for input Trying /var/tmp/from_scwrl_564053533_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_564053533_a.pdb or /var/tmp/from_scwrl_564053533_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_564053533.pdb or /var/tmp/from_scwrl_564053533_b.pdb or /var/tmp/from_scwrl_564053533_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_676850772.pdb -s /var/tmp/to_scwrl_676850772.seq -o /var/tmp/from_scwrl_676850772.pdb > /var/tmp/scwrl_676850772.log sh: /var/tmp/scwrl_676850772.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_676850772.pdb or /var/tmp/from_scwrl_676850772.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_676850772_b.pdb or decoys//var/tmp/from_scwrl_676850772_b.pdb.gz for input Trying /var/tmp/from_scwrl_676850772_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_676850772_b.pdb or /var/tmp/from_scwrl_676850772_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_676850772_a.pdb or decoys//var/tmp/from_scwrl_676850772_a.pdb.gz for input Trying /var/tmp/from_scwrl_676850772_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_676850772_a.pdb or /var/tmp/from_scwrl_676850772_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_676850772.pdb or /var/tmp/from_scwrl_676850772_b.pdb or /var/tmp/from_scwrl_676850772_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1391264747.pdb -s /var/tmp/to_scwrl_1391264747.seq -o /var/tmp/from_scwrl_1391264747.pdb > /var/tmp/scwrl_1391264747.log sh: /var/tmp/scwrl_1391264747.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1391264747.pdb or /var/tmp/from_scwrl_1391264747.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1391264747_b.pdb or decoys//var/tmp/from_scwrl_1391264747_b.pdb.gz for input Trying /var/tmp/from_scwrl_1391264747_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1391264747_b.pdb or /var/tmp/from_scwrl_1391264747_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1391264747_a.pdb or decoys//var/tmp/from_scwrl_1391264747_a.pdb.gz for input Trying /var/tmp/from_scwrl_1391264747_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1391264747_a.pdb or /var/tmp/from_scwrl_1391264747_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1391264747.pdb or /var/tmp/from_scwrl_1391264747_b.pdb or /var/tmp/from_scwrl_1391264747_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_115318326.pdb -s /var/tmp/to_scwrl_115318326.seq -o /var/tmp/from_scwrl_115318326.pdb > /var/tmp/scwrl_115318326.log sh: /var/tmp/scwrl_115318326.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_115318326.pdb or /var/tmp/from_scwrl_115318326.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_115318326_b.pdb or decoys//var/tmp/from_scwrl_115318326_b.pdb.gz for input Trying /var/tmp/from_scwrl_115318326_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_115318326_b.pdb or /var/tmp/from_scwrl_115318326_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_115318326_a.pdb or decoys//var/tmp/from_scwrl_115318326_a.pdb.gz for input Trying /var/tmp/from_scwrl_115318326_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_115318326_a.pdb or /var/tmp/from_scwrl_115318326_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_115318326.pdb or /var/tmp/from_scwrl_115318326_b.pdb or /var/tmp/from_scwrl_115318326_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_107461951.pdb -s /var/tmp/to_scwrl_107461951.seq -o /var/tmp/from_scwrl_107461951.pdb > /var/tmp/scwrl_107461951.log sh: /var/tmp/scwrl_107461951.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_107461951.pdb or /var/tmp/from_scwrl_107461951.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_107461951_b.pdb or decoys//var/tmp/from_scwrl_107461951_b.pdb.gz for input Trying /var/tmp/from_scwrl_107461951_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_107461951_b.pdb or /var/tmp/from_scwrl_107461951_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_107461951_a.pdb or decoys//var/tmp/from_scwrl_107461951_a.pdb.gz for input Trying /var/tmp/from_scwrl_107461951_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_107461951_a.pdb or /var/tmp/from_scwrl_107461951_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_107461951.pdb or /var/tmp/from_scwrl_107461951_b.pdb or /var/tmp/from_scwrl_107461951_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1988097375.pdb -s /var/tmp/to_scwrl_1988097375.seq -o /var/tmp/from_scwrl_1988097375.pdb > /var/tmp/scwrl_1988097375.log sh: /var/tmp/scwrl_1988097375.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1988097375.pdb or /var/tmp/from_scwrl_1988097375.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1988097375_b.pdb or decoys//var/tmp/from_scwrl_1988097375_b.pdb.gz for input Trying /var/tmp/from_scwrl_1988097375_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1988097375_b.pdb or /var/tmp/from_scwrl_1988097375_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1988097375_a.pdb or decoys//var/tmp/from_scwrl_1988097375_a.pdb.gz for input Trying /var/tmp/from_scwrl_1988097375_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1988097375_a.pdb or /var/tmp/from_scwrl_1988097375_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1988097375.pdb or /var/tmp/from_scwrl_1988097375_b.pdb or /var/tmp/from_scwrl_1988097375_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_913377195.pdb -s /var/tmp/to_scwrl_913377195.seq -o /var/tmp/from_scwrl_913377195.pdb > /var/tmp/scwrl_913377195.log sh: /var/tmp/scwrl_913377195.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_913377195.pdb or /var/tmp/from_scwrl_913377195.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913377195_b.pdb or decoys//var/tmp/from_scwrl_913377195_b.pdb.gz for input Trying /var/tmp/from_scwrl_913377195_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_913377195_b.pdb or /var/tmp/from_scwrl_913377195_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913377195_a.pdb or decoys//var/tmp/from_scwrl_913377195_a.pdb.gz for input Trying /var/tmp/from_scwrl_913377195_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_913377195_a.pdb or /var/tmp/from_scwrl_913377195_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_913377195.pdb or /var/tmp/from_scwrl_913377195_b.pdb or /var/tmp/from_scwrl_913377195_a.pdb Error: no new SCWRL conformation added # 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 32 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1751708566.pdb -s /var/tmp/to_scwrl_1751708566.seq -o /var/tmp/from_scwrl_1751708566.pdb > /var/tmp/scwrl_1751708566.log sh: /var/tmp/scwrl_1751708566.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1751708566.pdb or /var/tmp/from_scwrl_1751708566.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1751708566_b.pdb or decoys//var/tmp/from_scwrl_1751708566_b.pdb.gz for input Trying /var/tmp/from_scwrl_1751708566_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1751708566_b.pdb or /var/tmp/from_scwrl_1751708566_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1751708566_a.pdb or decoys//var/tmp/from_scwrl_1751708566_a.pdb.gz for input Trying /var/tmp/from_scwrl_1751708566_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1751708566_a.pdb or /var/tmp/from_scwrl_1751708566_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1751708566.pdb or /var/tmp/from_scwrl_1751708566_b.pdb or /var/tmp/from_scwrl_1751708566_a.pdb Error: no new SCWRL conformation added # 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 79 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1990047120.pdb -s /var/tmp/to_scwrl_1990047120.seq -o /var/tmp/from_scwrl_1990047120.pdb > /var/tmp/scwrl_1990047120.log sh: /var/tmp/scwrl_1990047120.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1990047120.pdb or /var/tmp/from_scwrl_1990047120.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1990047120_b.pdb or decoys//var/tmp/from_scwrl_1990047120_b.pdb.gz for input Trying /var/tmp/from_scwrl_1990047120_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1990047120_b.pdb or /var/tmp/from_scwrl_1990047120_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1990047120_a.pdb or decoys//var/tmp/from_scwrl_1990047120_a.pdb.gz for input Trying /var/tmp/from_scwrl_1990047120_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1990047120_a.pdb or /var/tmp/from_scwrl_1990047120_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1990047120.pdb or /var/tmp/from_scwrl_1990047120_b.pdb or /var/tmp/from_scwrl_1990047120_a.pdb Error: no new SCWRL conformation added # 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 30 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2055379227.pdb -s /var/tmp/to_scwrl_2055379227.seq -o /var/tmp/from_scwrl_2055379227.pdb > /var/tmp/scwrl_2055379227.log sh: /var/tmp/scwrl_2055379227.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2055379227.pdb or /var/tmp/from_scwrl_2055379227.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2055379227_b.pdb or decoys//var/tmp/from_scwrl_2055379227_b.pdb.gz for input Trying /var/tmp/from_scwrl_2055379227_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2055379227_b.pdb or /var/tmp/from_scwrl_2055379227_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2055379227_a.pdb or decoys//var/tmp/from_scwrl_2055379227_a.pdb.gz for input Trying /var/tmp/from_scwrl_2055379227_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2055379227_a.pdb or /var/tmp/from_scwrl_2055379227_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2055379227.pdb or /var/tmp/from_scwrl_2055379227_b.pdb or /var/tmp/from_scwrl_2055379227_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1812177789.pdb -s /var/tmp/to_scwrl_1812177789.seq -o /var/tmp/from_scwrl_1812177789.pdb > /var/tmp/scwrl_1812177789.log sh: /var/tmp/scwrl_1812177789.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1812177789.pdb or /var/tmp/from_scwrl_1812177789.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1812177789_b.pdb or decoys//var/tmp/from_scwrl_1812177789_b.pdb.gz for input Trying /var/tmp/from_scwrl_1812177789_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1812177789_b.pdb or /var/tmp/from_scwrl_1812177789_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1812177789_a.pdb or decoys//var/tmp/from_scwrl_1812177789_a.pdb.gz for input Trying /var/tmp/from_scwrl_1812177789_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1812177789_a.pdb or /var/tmp/from_scwrl_1812177789_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1812177789.pdb or /var/tmp/from_scwrl_1812177789_b.pdb or /var/tmp/from_scwrl_1812177789_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_529032803.pdb -s /var/tmp/to_scwrl_529032803.seq -o /var/tmp/from_scwrl_529032803.pdb > /var/tmp/scwrl_529032803.log sh: /var/tmp/scwrl_529032803.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_529032803.pdb or /var/tmp/from_scwrl_529032803.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_529032803_b.pdb or decoys//var/tmp/from_scwrl_529032803_b.pdb.gz for input Trying /var/tmp/from_scwrl_529032803_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_529032803_b.pdb or /var/tmp/from_scwrl_529032803_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_529032803_a.pdb or decoys//var/tmp/from_scwrl_529032803_a.pdb.gz for input Trying /var/tmp/from_scwrl_529032803_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_529032803_a.pdb or /var/tmp/from_scwrl_529032803_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_529032803.pdb or /var/tmp/from_scwrl_529032803_b.pdb or /var/tmp/from_scwrl_529032803_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_233788217.pdb -s /var/tmp/to_scwrl_233788217.seq -o /var/tmp/from_scwrl_233788217.pdb > /var/tmp/scwrl_233788217.log sh: /var/tmp/scwrl_233788217.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_233788217.pdb or /var/tmp/from_scwrl_233788217.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_233788217_b.pdb or decoys//var/tmp/from_scwrl_233788217_b.pdb.gz for input Trying /var/tmp/from_scwrl_233788217_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_233788217_b.pdb or /var/tmp/from_scwrl_233788217_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_233788217_a.pdb or decoys//var/tmp/from_scwrl_233788217_a.pdb.gz for input Trying /var/tmp/from_scwrl_233788217_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_233788217_a.pdb or /var/tmp/from_scwrl_233788217_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_233788217.pdb or /var/tmp/from_scwrl_233788217_b.pdb or /var/tmp/from_scwrl_233788217_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1363310885.pdb -s /var/tmp/to_scwrl_1363310885.seq -o /var/tmp/from_scwrl_1363310885.pdb > /var/tmp/scwrl_1363310885.log sh: /var/tmp/scwrl_1363310885.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1363310885.pdb or /var/tmp/from_scwrl_1363310885.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1363310885_b.pdb or decoys//var/tmp/from_scwrl_1363310885_b.pdb.gz for input Trying /var/tmp/from_scwrl_1363310885_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1363310885_b.pdb or /var/tmp/from_scwrl_1363310885_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1363310885_a.pdb or decoys//var/tmp/from_scwrl_1363310885_a.pdb.gz for input Trying /var/tmp/from_scwrl_1363310885_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1363310885_a.pdb or /var/tmp/from_scwrl_1363310885_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1363310885.pdb or /var/tmp/from_scwrl_1363310885_b.pdb or /var/tmp/from_scwrl_1363310885_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_482241115.pdb -s /var/tmp/to_scwrl_482241115.seq -o /var/tmp/from_scwrl_482241115.pdb > /var/tmp/scwrl_482241115.log sh: /var/tmp/scwrl_482241115.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_482241115.pdb or /var/tmp/from_scwrl_482241115.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_482241115_b.pdb or decoys//var/tmp/from_scwrl_482241115_b.pdb.gz for input Trying /var/tmp/from_scwrl_482241115_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_482241115_b.pdb or /var/tmp/from_scwrl_482241115_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_482241115_a.pdb or decoys//var/tmp/from_scwrl_482241115_a.pdb.gz for input Trying /var/tmp/from_scwrl_482241115_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_482241115_a.pdb or /var/tmp/from_scwrl_482241115_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_482241115.pdb or /var/tmp/from_scwrl_482241115_b.pdb or /var/tmp/from_scwrl_482241115_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_315643649.pdb -s /var/tmp/to_scwrl_315643649.seq -o /var/tmp/from_scwrl_315643649.pdb > /var/tmp/scwrl_315643649.log sh: /var/tmp/scwrl_315643649.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_315643649.pdb or /var/tmp/from_scwrl_315643649.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_315643649_b.pdb or decoys//var/tmp/from_scwrl_315643649_b.pdb.gz for input Trying /var/tmp/from_scwrl_315643649_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_315643649_b.pdb or /var/tmp/from_scwrl_315643649_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_315643649_a.pdb or decoys//var/tmp/from_scwrl_315643649_a.pdb.gz for input Trying /var/tmp/from_scwrl_315643649_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_315643649_a.pdb or /var/tmp/from_scwrl_315643649_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_315643649.pdb or /var/tmp/from_scwrl_315643649_b.pdb or /var/tmp/from_scwrl_315643649_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1826450669.pdb -s /var/tmp/to_scwrl_1826450669.seq -o /var/tmp/from_scwrl_1826450669.pdb > /var/tmp/scwrl_1826450669.log sh: /var/tmp/scwrl_1826450669.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1826450669.pdb or /var/tmp/from_scwrl_1826450669.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1826450669_b.pdb or decoys//var/tmp/from_scwrl_1826450669_b.pdb.gz for input Trying /var/tmp/from_scwrl_1826450669_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1826450669_b.pdb or /var/tmp/from_scwrl_1826450669_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1826450669_a.pdb or decoys//var/tmp/from_scwrl_1826450669_a.pdb.gz for input Trying /var/tmp/from_scwrl_1826450669_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1826450669_a.pdb or /var/tmp/from_scwrl_1826450669_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1826450669.pdb or /var/tmp/from_scwrl_1826450669_b.pdb or /var/tmp/from_scwrl_1826450669_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_627346025.pdb -s /var/tmp/to_scwrl_627346025.seq -o /var/tmp/from_scwrl_627346025.pdb > /var/tmp/scwrl_627346025.log sh: /var/tmp/scwrl_627346025.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_627346025.pdb or /var/tmp/from_scwrl_627346025.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_627346025_b.pdb or decoys//var/tmp/from_scwrl_627346025_b.pdb.gz for input Trying /var/tmp/from_scwrl_627346025_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_627346025_b.pdb or /var/tmp/from_scwrl_627346025_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_627346025_a.pdb or decoys//var/tmp/from_scwrl_627346025_a.pdb.gz for input Trying /var/tmp/from_scwrl_627346025_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_627346025_a.pdb or /var/tmp/from_scwrl_627346025_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_627346025.pdb or /var/tmp/from_scwrl_627346025_b.pdb or /var/tmp/from_scwrl_627346025_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_724223770.pdb -s /var/tmp/to_scwrl_724223770.seq -o /var/tmp/from_scwrl_724223770.pdb > /var/tmp/scwrl_724223770.log sh: /var/tmp/scwrl_724223770.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_724223770.pdb or /var/tmp/from_scwrl_724223770.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_724223770_b.pdb or decoys//var/tmp/from_scwrl_724223770_b.pdb.gz for input Trying /var/tmp/from_scwrl_724223770_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_724223770_b.pdb or /var/tmp/from_scwrl_724223770_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_724223770_a.pdb or decoys//var/tmp/from_scwrl_724223770_a.pdb.gz for input Trying /var/tmp/from_scwrl_724223770_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_724223770_a.pdb or /var/tmp/from_scwrl_724223770_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_724223770.pdb or /var/tmp/from_scwrl_724223770_b.pdb or /var/tmp/from_scwrl_724223770_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_214941624.pdb -s /var/tmp/to_scwrl_214941624.seq -o /var/tmp/from_scwrl_214941624.pdb > /var/tmp/scwrl_214941624.log sh: /var/tmp/scwrl_214941624.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_214941624.pdb or /var/tmp/from_scwrl_214941624.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_214941624_b.pdb or decoys//var/tmp/from_scwrl_214941624_b.pdb.gz for input Trying /var/tmp/from_scwrl_214941624_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_214941624_b.pdb or /var/tmp/from_scwrl_214941624_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_214941624_a.pdb or decoys//var/tmp/from_scwrl_214941624_a.pdb.gz for input Trying /var/tmp/from_scwrl_214941624_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_214941624_a.pdb or /var/tmp/from_scwrl_214941624_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_214941624.pdb or /var/tmp/from_scwrl_214941624_b.pdb or /var/tmp/from_scwrl_214941624_a.pdb Error: no new SCWRL conformation added # 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 54, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_122962707.pdb -s /var/tmp/to_scwrl_122962707.seq -o /var/tmp/from_scwrl_122962707.pdb > /var/tmp/scwrl_122962707.log sh: /var/tmp/scwrl_122962707.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_122962707.pdb or /var/tmp/from_scwrl_122962707.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_122962707_b.pdb or decoys//var/tmp/from_scwrl_122962707_b.pdb.gz for input Trying /var/tmp/from_scwrl_122962707_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_122962707_b.pdb or /var/tmp/from_scwrl_122962707_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_122962707_a.pdb or decoys//var/tmp/from_scwrl_122962707_a.pdb.gz for input Trying /var/tmp/from_scwrl_122962707_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_122962707_a.pdb or /var/tmp/from_scwrl_122962707_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_122962707.pdb or /var/tmp/from_scwrl_122962707_b.pdb or /var/tmp/from_scwrl_122962707_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2046310976.pdb -s /var/tmp/to_scwrl_2046310976.seq -o /var/tmp/from_scwrl_2046310976.pdb > /var/tmp/scwrl_2046310976.log sh: /var/tmp/scwrl_2046310976.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2046310976.pdb or /var/tmp/from_scwrl_2046310976.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2046310976_b.pdb or decoys//var/tmp/from_scwrl_2046310976_b.pdb.gz for input Trying /var/tmp/from_scwrl_2046310976_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2046310976_b.pdb or /var/tmp/from_scwrl_2046310976_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2046310976_a.pdb or decoys//var/tmp/from_scwrl_2046310976_a.pdb.gz for input Trying /var/tmp/from_scwrl_2046310976_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2046310976_a.pdb or /var/tmp/from_scwrl_2046310976_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2046310976.pdb or /var/tmp/from_scwrl_2046310976_b.pdb or /var/tmp/from_scwrl_2046310976_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_731906973.pdb -s /var/tmp/to_scwrl_731906973.seq -o /var/tmp/from_scwrl_731906973.pdb > /var/tmp/scwrl_731906973.log sh: /var/tmp/scwrl_731906973.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_731906973.pdb or /var/tmp/from_scwrl_731906973.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_731906973_b.pdb or decoys//var/tmp/from_scwrl_731906973_b.pdb.gz for input Trying /var/tmp/from_scwrl_731906973_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_731906973_b.pdb or /var/tmp/from_scwrl_731906973_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_731906973_a.pdb or decoys//var/tmp/from_scwrl_731906973_a.pdb.gz for input Trying /var/tmp/from_scwrl_731906973_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_731906973_a.pdb or /var/tmp/from_scwrl_731906973_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_731906973.pdb or /var/tmp/from_scwrl_731906973_b.pdb or /var/tmp/from_scwrl_731906973_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2121999025.pdb -s /var/tmp/to_scwrl_2121999025.seq -o /var/tmp/from_scwrl_2121999025.pdb > /var/tmp/scwrl_2121999025.log sh: /var/tmp/scwrl_2121999025.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2121999025.pdb or /var/tmp/from_scwrl_2121999025.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2121999025_b.pdb or decoys//var/tmp/from_scwrl_2121999025_b.pdb.gz for input Trying /var/tmp/from_scwrl_2121999025_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2121999025_b.pdb or /var/tmp/from_scwrl_2121999025_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2121999025_a.pdb or decoys//var/tmp/from_scwrl_2121999025_a.pdb.gz for input Trying /var/tmp/from_scwrl_2121999025_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2121999025_a.pdb or /var/tmp/from_scwrl_2121999025_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2121999025.pdb or /var/tmp/from_scwrl_2121999025_b.pdb or /var/tmp/from_scwrl_2121999025_a.pdb Error: no new SCWRL conformation added # 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 95 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_444580494.pdb -s /var/tmp/to_scwrl_444580494.seq -o /var/tmp/from_scwrl_444580494.pdb > /var/tmp/scwrl_444580494.log sh: /var/tmp/scwrl_444580494.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_444580494.pdb or /var/tmp/from_scwrl_444580494.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444580494_b.pdb or decoys//var/tmp/from_scwrl_444580494_b.pdb.gz for input Trying /var/tmp/from_scwrl_444580494_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_444580494_b.pdb or /var/tmp/from_scwrl_444580494_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444580494_a.pdb or decoys//var/tmp/from_scwrl_444580494_a.pdb.gz for input Trying /var/tmp/from_scwrl_444580494_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_444580494_a.pdb or /var/tmp/from_scwrl_444580494_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_444580494.pdb or /var/tmp/from_scwrl_444580494_b.pdb or /var/tmp/from_scwrl_444580494_a.pdb Error: no new SCWRL conformation added # 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 76 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_899230636.pdb -s /var/tmp/to_scwrl_899230636.seq -o /var/tmp/from_scwrl_899230636.pdb > /var/tmp/scwrl_899230636.log sh: /var/tmp/scwrl_899230636.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_899230636.pdb or /var/tmp/from_scwrl_899230636.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_899230636_b.pdb or decoys//var/tmp/from_scwrl_899230636_b.pdb.gz for input Trying /var/tmp/from_scwrl_899230636_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_899230636_b.pdb or /var/tmp/from_scwrl_899230636_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_899230636_a.pdb or decoys//var/tmp/from_scwrl_899230636_a.pdb.gz for input Trying /var/tmp/from_scwrl_899230636_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_899230636_a.pdb or /var/tmp/from_scwrl_899230636_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_899230636.pdb or /var/tmp/from_scwrl_899230636_b.pdb or /var/tmp/from_scwrl_899230636_a.pdb Error: no new SCWRL conformation added # 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 95 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_179159820.pdb -s /var/tmp/to_scwrl_179159820.seq -o /var/tmp/from_scwrl_179159820.pdb > /var/tmp/scwrl_179159820.log sh: /var/tmp/scwrl_179159820.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_179159820.pdb or /var/tmp/from_scwrl_179159820.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_179159820_b.pdb or decoys//var/tmp/from_scwrl_179159820_b.pdb.gz for input Trying /var/tmp/from_scwrl_179159820_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_179159820_b.pdb or /var/tmp/from_scwrl_179159820_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_179159820_a.pdb or decoys//var/tmp/from_scwrl_179159820_a.pdb.gz for input Trying /var/tmp/from_scwrl_179159820_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_179159820_a.pdb or /var/tmp/from_scwrl_179159820_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_179159820.pdb or /var/tmp/from_scwrl_179159820_b.pdb or /var/tmp/from_scwrl_179159820_a.pdb Error: no new SCWRL conformation added # 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 104 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1469620889.pdb -s /var/tmp/to_scwrl_1469620889.seq -o /var/tmp/from_scwrl_1469620889.pdb > /var/tmp/scwrl_1469620889.log sh: /var/tmp/scwrl_1469620889.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1469620889.pdb or /var/tmp/from_scwrl_1469620889.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1469620889_b.pdb or decoys//var/tmp/from_scwrl_1469620889_b.pdb.gz for input Trying /var/tmp/from_scwrl_1469620889_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1469620889_b.pdb or /var/tmp/from_scwrl_1469620889_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1469620889_a.pdb or decoys//var/tmp/from_scwrl_1469620889_a.pdb.gz for input Trying /var/tmp/from_scwrl_1469620889_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1469620889_a.pdb or /var/tmp/from_scwrl_1469620889_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1469620889.pdb or /var/tmp/from_scwrl_1469620889_b.pdb or /var/tmp/from_scwrl_1469620889_a.pdb Error: no new SCWRL conformation added # 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 96 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_106915026.pdb -s /var/tmp/to_scwrl_106915026.seq -o /var/tmp/from_scwrl_106915026.pdb > /var/tmp/scwrl_106915026.log sh: /var/tmp/scwrl_106915026.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_106915026.pdb or /var/tmp/from_scwrl_106915026.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_106915026_b.pdb or decoys//var/tmp/from_scwrl_106915026_b.pdb.gz for input Trying /var/tmp/from_scwrl_106915026_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_106915026_b.pdb or /var/tmp/from_scwrl_106915026_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_106915026_a.pdb or decoys//var/tmp/from_scwrl_106915026_a.pdb.gz for input Trying /var/tmp/from_scwrl_106915026_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_106915026_a.pdb or /var/tmp/from_scwrl_106915026_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_106915026.pdb or /var/tmp/from_scwrl_106915026_b.pdb or /var/tmp/from_scwrl_106915026_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_537008613.pdb -s /var/tmp/to_scwrl_537008613.seq -o /var/tmp/from_scwrl_537008613.pdb > /var/tmp/scwrl_537008613.log sh: /var/tmp/scwrl_537008613.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_537008613.pdb or /var/tmp/from_scwrl_537008613.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_537008613_b.pdb or decoys//var/tmp/from_scwrl_537008613_b.pdb.gz for input Trying /var/tmp/from_scwrl_537008613_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_537008613_b.pdb or /var/tmp/from_scwrl_537008613_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_537008613_a.pdb or decoys//var/tmp/from_scwrl_537008613_a.pdb.gz for input Trying /var/tmp/from_scwrl_537008613_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_537008613_a.pdb or /var/tmp/from_scwrl_537008613_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_537008613.pdb or /var/tmp/from_scwrl_537008613_b.pdb or /var/tmp/from_scwrl_537008613_a.pdb Error: no new SCWRL conformation added # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1984592767.pdb -s /var/tmp/to_scwrl_1984592767.seq -o /var/tmp/from_scwrl_1984592767.pdb > /var/tmp/scwrl_1984592767.log sh: /var/tmp/scwrl_1984592767.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1984592767.pdb or /var/tmp/from_scwrl_1984592767.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1984592767_b.pdb or decoys//var/tmp/from_scwrl_1984592767_b.pdb.gz for input Trying /var/tmp/from_scwrl_1984592767_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1984592767_b.pdb or /var/tmp/from_scwrl_1984592767_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1984592767_a.pdb or decoys//var/tmp/from_scwrl_1984592767_a.pdb.gz for input Trying /var/tmp/from_scwrl_1984592767_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1984592767_a.pdb or /var/tmp/from_scwrl_1984592767_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1984592767.pdb or /var/tmp/from_scwrl_1984592767_b.pdb or /var/tmp/from_scwrl_1984592767_a.pdb Error: no new SCWRL conformation added # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_670968559.pdb -s /var/tmp/to_scwrl_670968559.seq -o /var/tmp/from_scwrl_670968559.pdb > /var/tmp/scwrl_670968559.log sh: /var/tmp/scwrl_670968559.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_670968559.pdb or /var/tmp/from_scwrl_670968559.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_670968559_b.pdb or decoys//var/tmp/from_scwrl_670968559_b.pdb.gz for input Trying /var/tmp/from_scwrl_670968559_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_670968559_b.pdb or /var/tmp/from_scwrl_670968559_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_670968559_a.pdb or decoys//var/tmp/from_scwrl_670968559_a.pdb.gz for input Trying /var/tmp/from_scwrl_670968559_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_670968559_a.pdb or /var/tmp/from_scwrl_670968559_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_670968559.pdb or /var/tmp/from_scwrl_670968559_b.pdb or /var/tmp/from_scwrl_670968559_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1213859384.pdb -s /var/tmp/to_scwrl_1213859384.seq -o /var/tmp/from_scwrl_1213859384.pdb > /var/tmp/scwrl_1213859384.log sh: /var/tmp/scwrl_1213859384.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1213859384.pdb or /var/tmp/from_scwrl_1213859384.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1213859384_b.pdb or decoys//var/tmp/from_scwrl_1213859384_b.pdb.gz for input Trying /var/tmp/from_scwrl_1213859384_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1213859384_b.pdb or /var/tmp/from_scwrl_1213859384_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1213859384_a.pdb or decoys//var/tmp/from_scwrl_1213859384_a.pdb.gz for input Trying /var/tmp/from_scwrl_1213859384_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1213859384_a.pdb or /var/tmp/from_scwrl_1213859384_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1213859384.pdb or /var/tmp/from_scwrl_1213859384_b.pdb or /var/tmp/from_scwrl_1213859384_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 10, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 12, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 342, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 344, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 406, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 408, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1228373867.pdb -s /var/tmp/to_scwrl_1228373867.seq -o /var/tmp/from_scwrl_1228373867.pdb > /var/tmp/scwrl_1228373867.log sh: /var/tmp/scwrl_1228373867.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1228373867.pdb or /var/tmp/from_scwrl_1228373867.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1228373867_b.pdb or decoys//var/tmp/from_scwrl_1228373867_b.pdb.gz for input Trying /var/tmp/from_scwrl_1228373867_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1228373867_b.pdb or /var/tmp/from_scwrl_1228373867_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1228373867_a.pdb or decoys//var/tmp/from_scwrl_1228373867_a.pdb.gz for input Trying /var/tmp/from_scwrl_1228373867_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1228373867_a.pdb or /var/tmp/from_scwrl_1228373867_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1228373867.pdb or /var/tmp/from_scwrl_1228373867_b.pdb or /var/tmp/from_scwrl_1228373867_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_786286885.pdb -s /var/tmp/to_scwrl_786286885.seq -o /var/tmp/from_scwrl_786286885.pdb > /var/tmp/scwrl_786286885.log sh: /var/tmp/scwrl_786286885.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_786286885.pdb or /var/tmp/from_scwrl_786286885.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_786286885_b.pdb or decoys//var/tmp/from_scwrl_786286885_b.pdb.gz for input Trying /var/tmp/from_scwrl_786286885_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_786286885_b.pdb or /var/tmp/from_scwrl_786286885_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_786286885_a.pdb or decoys//var/tmp/from_scwrl_786286885_a.pdb.gz for input Trying /var/tmp/from_scwrl_786286885_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_786286885_a.pdb or /var/tmp/from_scwrl_786286885_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_786286885.pdb or /var/tmp/from_scwrl_786286885_b.pdb or /var/tmp/from_scwrl_786286885_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1321321335.pdb -s /var/tmp/to_scwrl_1321321335.seq -o /var/tmp/from_scwrl_1321321335.pdb > /var/tmp/scwrl_1321321335.log sh: /var/tmp/scwrl_1321321335.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1321321335.pdb or /var/tmp/from_scwrl_1321321335.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1321321335_b.pdb or decoys//var/tmp/from_scwrl_1321321335_b.pdb.gz for input Trying /var/tmp/from_scwrl_1321321335_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1321321335_b.pdb or /var/tmp/from_scwrl_1321321335_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1321321335_a.pdb or decoys//var/tmp/from_scwrl_1321321335_a.pdb.gz for input Trying /var/tmp/from_scwrl_1321321335_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1321321335_a.pdb or /var/tmp/from_scwrl_1321321335_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1321321335.pdb or /var/tmp/from_scwrl_1321321335_b.pdb or /var/tmp/from_scwrl_1321321335_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1068987596.pdb -s /var/tmp/to_scwrl_1068987596.seq -o /var/tmp/from_scwrl_1068987596.pdb > /var/tmp/scwrl_1068987596.log sh: /var/tmp/scwrl_1068987596.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1068987596.pdb or /var/tmp/from_scwrl_1068987596.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1068987596_b.pdb or decoys//var/tmp/from_scwrl_1068987596_b.pdb.gz for input Trying /var/tmp/from_scwrl_1068987596_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1068987596_b.pdb or /var/tmp/from_scwrl_1068987596_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1068987596_a.pdb or decoys//var/tmp/from_scwrl_1068987596_a.pdb.gz for input Trying /var/tmp/from_scwrl_1068987596_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1068987596_a.pdb or /var/tmp/from_scwrl_1068987596_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1068987596.pdb or /var/tmp/from_scwrl_1068987596_b.pdb or /var/tmp/from_scwrl_1068987596_a.pdb Error: no new SCWRL conformation added # 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 54 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1699664080.pdb -s /var/tmp/to_scwrl_1699664080.seq -o /var/tmp/from_scwrl_1699664080.pdb > /var/tmp/scwrl_1699664080.log sh: /var/tmp/scwrl_1699664080.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1699664080.pdb or /var/tmp/from_scwrl_1699664080.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1699664080_b.pdb or decoys//var/tmp/from_scwrl_1699664080_b.pdb.gz for input Trying /var/tmp/from_scwrl_1699664080_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1699664080_b.pdb or /var/tmp/from_scwrl_1699664080_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1699664080_a.pdb or decoys//var/tmp/from_scwrl_1699664080_a.pdb.gz for input Trying /var/tmp/from_scwrl_1699664080_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1699664080_a.pdb or /var/tmp/from_scwrl_1699664080_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1699664080.pdb or /var/tmp/from_scwrl_1699664080_b.pdb or /var/tmp/from_scwrl_1699664080_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_925546255.pdb -s /var/tmp/to_scwrl_925546255.seq -o /var/tmp/from_scwrl_925546255.pdb > /var/tmp/scwrl_925546255.log sh: /var/tmp/scwrl_925546255.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_925546255.pdb or /var/tmp/from_scwrl_925546255.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925546255_b.pdb or decoys//var/tmp/from_scwrl_925546255_b.pdb.gz for input Trying /var/tmp/from_scwrl_925546255_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_925546255_b.pdb or /var/tmp/from_scwrl_925546255_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925546255_a.pdb or decoys//var/tmp/from_scwrl_925546255_a.pdb.gz for input Trying /var/tmp/from_scwrl_925546255_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_925546255_a.pdb or /var/tmp/from_scwrl_925546255_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_925546255.pdb or /var/tmp/from_scwrl_925546255_b.pdb or /var/tmp/from_scwrl_925546255_a.pdb Error: no new SCWRL conformation added # 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 96 ; scwrl3 -i /var/tmp/to_scwrl_911551069.pdb -s /var/tmp/to_scwrl_911551069.seq -o /var/tmp/from_scwrl_911551069.pdb > /var/tmp/scwrl_911551069.log sh: /var/tmp/scwrl_911551069.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_911551069.pdb or /var/tmp/from_scwrl_911551069.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_911551069_b.pdb or decoys//var/tmp/from_scwrl_911551069_b.pdb.gz for input Trying /var/tmp/from_scwrl_911551069_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_911551069_b.pdb or /var/tmp/from_scwrl_911551069_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_911551069_a.pdb or decoys//var/tmp/from_scwrl_911551069_a.pdb.gz for input Trying /var/tmp/from_scwrl_911551069_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_911551069_a.pdb or /var/tmp/from_scwrl_911551069_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_911551069.pdb or /var/tmp/from_scwrl_911551069_b.pdb or /var/tmp/from_scwrl_911551069_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1607559660.pdb -s /var/tmp/to_scwrl_1607559660.seq -o /var/tmp/from_scwrl_1607559660.pdb > /var/tmp/scwrl_1607559660.log sh: /var/tmp/scwrl_1607559660.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1607559660.pdb or /var/tmp/from_scwrl_1607559660.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1607559660_b.pdb or decoys//var/tmp/from_scwrl_1607559660_b.pdb.gz for input Trying /var/tmp/from_scwrl_1607559660_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1607559660_b.pdb or /var/tmp/from_scwrl_1607559660_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1607559660_a.pdb or decoys//var/tmp/from_scwrl_1607559660_a.pdb.gz for input Trying /var/tmp/from_scwrl_1607559660_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1607559660_a.pdb or /var/tmp/from_scwrl_1607559660_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1607559660.pdb or /var/tmp/from_scwrl_1607559660_b.pdb or /var/tmp/from_scwrl_1607559660_a.pdb Error: no new SCWRL conformation added # 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 103 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_590240398.pdb -s /var/tmp/to_scwrl_590240398.seq -o /var/tmp/from_scwrl_590240398.pdb > /var/tmp/scwrl_590240398.log sh: /var/tmp/scwrl_590240398.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_590240398.pdb or /var/tmp/from_scwrl_590240398.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_590240398_b.pdb or decoys//var/tmp/from_scwrl_590240398_b.pdb.gz for input Trying /var/tmp/from_scwrl_590240398_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_590240398_b.pdb or /var/tmp/from_scwrl_590240398_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_590240398_a.pdb or decoys//var/tmp/from_scwrl_590240398_a.pdb.gz for input Trying /var/tmp/from_scwrl_590240398_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_590240398_a.pdb or /var/tmp/from_scwrl_590240398_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_590240398.pdb or /var/tmp/from_scwrl_590240398_b.pdb or /var/tmp/from_scwrl_590240398_a.pdb Error: no new SCWRL conformation added # 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: (T0314)R103.O and (T0314)Q104.N only 0.000 apart, marking (T0314)Q104.N as missing # WARNING: incomplete conformation T0314 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1440583871.pdb -s /var/tmp/to_scwrl_1440583871.seq -o /var/tmp/from_scwrl_1440583871.pdb > /var/tmp/scwrl_1440583871.log sh: /var/tmp/scwrl_1440583871.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1440583871.pdb or /var/tmp/from_scwrl_1440583871.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1440583871_b.pdb or decoys//var/tmp/from_scwrl_1440583871_b.pdb.gz for input Trying /var/tmp/from_scwrl_1440583871_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1440583871_b.pdb or /var/tmp/from_scwrl_1440583871_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1440583871_a.pdb or decoys//var/tmp/from_scwrl_1440583871_a.pdb.gz for input Trying /var/tmp/from_scwrl_1440583871_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1440583871_a.pdb or /var/tmp/from_scwrl_1440583871_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1440583871.pdb or /var/tmp/from_scwrl_1440583871_b.pdb or /var/tmp/from_scwrl_1440583871_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1841347878.pdb -s /var/tmp/to_scwrl_1841347878.seq -o /var/tmp/from_scwrl_1841347878.pdb > /var/tmp/scwrl_1841347878.log sh: /var/tmp/scwrl_1841347878.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1841347878.pdb or /var/tmp/from_scwrl_1841347878.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1841347878_b.pdb or decoys//var/tmp/from_scwrl_1841347878_b.pdb.gz for input Trying /var/tmp/from_scwrl_1841347878_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1841347878_b.pdb or /var/tmp/from_scwrl_1841347878_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1841347878_a.pdb or decoys//var/tmp/from_scwrl_1841347878_a.pdb.gz for input Trying /var/tmp/from_scwrl_1841347878_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1841347878_a.pdb or /var/tmp/from_scwrl_1841347878_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1841347878.pdb or /var/tmp/from_scwrl_1841347878_b.pdb or /var/tmp/from_scwrl_1841347878_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1953551283.pdb -s /var/tmp/to_scwrl_1953551283.seq -o /var/tmp/from_scwrl_1953551283.pdb > /var/tmp/scwrl_1953551283.log sh: /var/tmp/scwrl_1953551283.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1953551283.pdb or /var/tmp/from_scwrl_1953551283.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1953551283_b.pdb or decoys//var/tmp/from_scwrl_1953551283_b.pdb.gz for input Trying /var/tmp/from_scwrl_1953551283_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1953551283_b.pdb or /var/tmp/from_scwrl_1953551283_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1953551283_a.pdb or decoys//var/tmp/from_scwrl_1953551283_a.pdb.gz for input Trying /var/tmp/from_scwrl_1953551283_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1953551283_a.pdb or /var/tmp/from_scwrl_1953551283_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1953551283.pdb or /var/tmp/from_scwrl_1953551283_b.pdb or /var/tmp/from_scwrl_1953551283_a.pdb Error: no new SCWRL conformation added # 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 103 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1922824987.pdb -s /var/tmp/to_scwrl_1922824987.seq -o /var/tmp/from_scwrl_1922824987.pdb > /var/tmp/scwrl_1922824987.log sh: /var/tmp/scwrl_1922824987.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1922824987.pdb or /var/tmp/from_scwrl_1922824987.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1922824987_b.pdb or decoys//var/tmp/from_scwrl_1922824987_b.pdb.gz for input Trying /var/tmp/from_scwrl_1922824987_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1922824987_b.pdb or /var/tmp/from_scwrl_1922824987_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1922824987_a.pdb or decoys//var/tmp/from_scwrl_1922824987_a.pdb.gz for input Trying /var/tmp/from_scwrl_1922824987_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1922824987_a.pdb or /var/tmp/from_scwrl_1922824987_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1922824987.pdb or /var/tmp/from_scwrl_1922824987_b.pdb or /var/tmp/from_scwrl_1922824987_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_9507880.pdb -s /var/tmp/to_scwrl_9507880.seq -o /var/tmp/from_scwrl_9507880.pdb > /var/tmp/scwrl_9507880.log sh: /var/tmp/scwrl_9507880.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_9507880.pdb or /var/tmp/from_scwrl_9507880.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_9507880_b.pdb or decoys//var/tmp/from_scwrl_9507880_b.pdb.gz for input Trying /var/tmp/from_scwrl_9507880_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_9507880_b.pdb or /var/tmp/from_scwrl_9507880_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_9507880_a.pdb or decoys//var/tmp/from_scwrl_9507880_a.pdb.gz for input Trying /var/tmp/from_scwrl_9507880_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_9507880_a.pdb or /var/tmp/from_scwrl_9507880_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_9507880.pdb or /var/tmp/from_scwrl_9507880_b.pdb or /var/tmp/from_scwrl_9507880_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1632518305.pdb -s /var/tmp/to_scwrl_1632518305.seq -o /var/tmp/from_scwrl_1632518305.pdb > /var/tmp/scwrl_1632518305.log sh: /var/tmp/scwrl_1632518305.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1632518305.pdb or /var/tmp/from_scwrl_1632518305.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1632518305_b.pdb or decoys//var/tmp/from_scwrl_1632518305_b.pdb.gz for input Trying /var/tmp/from_scwrl_1632518305_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1632518305_b.pdb or /var/tmp/from_scwrl_1632518305_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1632518305_a.pdb or decoys//var/tmp/from_scwrl_1632518305_a.pdb.gz for input Trying /var/tmp/from_scwrl_1632518305_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1632518305_a.pdb or /var/tmp/from_scwrl_1632518305_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1632518305.pdb or /var/tmp/from_scwrl_1632518305_b.pdb or /var/tmp/from_scwrl_1632518305_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_402687365.pdb -s /var/tmp/to_scwrl_402687365.seq -o /var/tmp/from_scwrl_402687365.pdb > /var/tmp/scwrl_402687365.log sh: /var/tmp/scwrl_402687365.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_402687365.pdb or /var/tmp/from_scwrl_402687365.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_402687365_b.pdb or decoys//var/tmp/from_scwrl_402687365_b.pdb.gz for input Trying /var/tmp/from_scwrl_402687365_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_402687365_b.pdb or /var/tmp/from_scwrl_402687365_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_402687365_a.pdb or decoys//var/tmp/from_scwrl_402687365_a.pdb.gz for input Trying /var/tmp/from_scwrl_402687365_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_402687365_a.pdb or /var/tmp/from_scwrl_402687365_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_402687365.pdb or /var/tmp/from_scwrl_402687365_b.pdb or /var/tmp/from_scwrl_402687365_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_733731650.pdb -s /var/tmp/to_scwrl_733731650.seq -o /var/tmp/from_scwrl_733731650.pdb > /var/tmp/scwrl_733731650.log sh: /var/tmp/scwrl_733731650.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_733731650.pdb or /var/tmp/from_scwrl_733731650.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_733731650_b.pdb or decoys//var/tmp/from_scwrl_733731650_b.pdb.gz for input Trying /var/tmp/from_scwrl_733731650_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_733731650_b.pdb or /var/tmp/from_scwrl_733731650_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_733731650_a.pdb or decoys//var/tmp/from_scwrl_733731650_a.pdb.gz for input Trying /var/tmp/from_scwrl_733731650_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_733731650_a.pdb or /var/tmp/from_scwrl_733731650_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_733731650.pdb or /var/tmp/from_scwrl_733731650_b.pdb or /var/tmp/from_scwrl_733731650_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1847459929.pdb -s /var/tmp/to_scwrl_1847459929.seq -o /var/tmp/from_scwrl_1847459929.pdb > /var/tmp/scwrl_1847459929.log sh: /var/tmp/scwrl_1847459929.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1847459929.pdb or /var/tmp/from_scwrl_1847459929.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1847459929_b.pdb or decoys//var/tmp/from_scwrl_1847459929_b.pdb.gz for input Trying /var/tmp/from_scwrl_1847459929_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1847459929_b.pdb or /var/tmp/from_scwrl_1847459929_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1847459929_a.pdb or decoys//var/tmp/from_scwrl_1847459929_a.pdb.gz for input Trying /var/tmp/from_scwrl_1847459929_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1847459929_a.pdb or /var/tmp/from_scwrl_1847459929_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1847459929.pdb or /var/tmp/from_scwrl_1847459929_b.pdb or /var/tmp/from_scwrl_1847459929_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_525650072.pdb -s /var/tmp/to_scwrl_525650072.seq -o /var/tmp/from_scwrl_525650072.pdb > /var/tmp/scwrl_525650072.log sh: /var/tmp/scwrl_525650072.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_525650072.pdb or /var/tmp/from_scwrl_525650072.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_525650072_b.pdb or decoys//var/tmp/from_scwrl_525650072_b.pdb.gz for input Trying /var/tmp/from_scwrl_525650072_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_525650072_b.pdb or /var/tmp/from_scwrl_525650072_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_525650072_a.pdb or decoys//var/tmp/from_scwrl_525650072_a.pdb.gz for input Trying /var/tmp/from_scwrl_525650072_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_525650072_a.pdb or /var/tmp/from_scwrl_525650072_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_525650072.pdb or /var/tmp/from_scwrl_525650072_b.pdb or /var/tmp/from_scwrl_525650072_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_632558980.pdb -s /var/tmp/to_scwrl_632558980.seq -o /var/tmp/from_scwrl_632558980.pdb > /var/tmp/scwrl_632558980.log sh: /var/tmp/scwrl_632558980.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_632558980.pdb or /var/tmp/from_scwrl_632558980.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_632558980_b.pdb or decoys//var/tmp/from_scwrl_632558980_b.pdb.gz for input Trying /var/tmp/from_scwrl_632558980_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_632558980_b.pdb or /var/tmp/from_scwrl_632558980_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_632558980_a.pdb or decoys//var/tmp/from_scwrl_632558980_a.pdb.gz for input Trying /var/tmp/from_scwrl_632558980_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_632558980_a.pdb or /var/tmp/from_scwrl_632558980_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_632558980.pdb or /var/tmp/from_scwrl_632558980_b.pdb or /var/tmp/from_scwrl_632558980_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_431883256.pdb -s /var/tmp/to_scwrl_431883256.seq -o /var/tmp/from_scwrl_431883256.pdb > /var/tmp/scwrl_431883256.log sh: /var/tmp/scwrl_431883256.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_431883256.pdb or /var/tmp/from_scwrl_431883256.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431883256_b.pdb or decoys//var/tmp/from_scwrl_431883256_b.pdb.gz for input Trying /var/tmp/from_scwrl_431883256_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_431883256_b.pdb or /var/tmp/from_scwrl_431883256_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431883256_a.pdb or decoys//var/tmp/from_scwrl_431883256_a.pdb.gz for input Trying /var/tmp/from_scwrl_431883256_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_431883256_a.pdb or /var/tmp/from_scwrl_431883256_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_431883256.pdb or /var/tmp/from_scwrl_431883256_b.pdb or /var/tmp/from_scwrl_431883256_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_500165450.pdb -s /var/tmp/to_scwrl_500165450.seq -o /var/tmp/from_scwrl_500165450.pdb > /var/tmp/scwrl_500165450.log sh: /var/tmp/scwrl_500165450.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_500165450.pdb or /var/tmp/from_scwrl_500165450.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_500165450_b.pdb or decoys//var/tmp/from_scwrl_500165450_b.pdb.gz for input Trying /var/tmp/from_scwrl_500165450_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_500165450_b.pdb or /var/tmp/from_scwrl_500165450_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_500165450_a.pdb or decoys//var/tmp/from_scwrl_500165450_a.pdb.gz for input Trying /var/tmp/from_scwrl_500165450_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_500165450_a.pdb or /var/tmp/from_scwrl_500165450_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_500165450.pdb or /var/tmp/from_scwrl_500165450_b.pdb or /var/tmp/from_scwrl_500165450_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1077139473.pdb -s /var/tmp/to_scwrl_1077139473.seq -o /var/tmp/from_scwrl_1077139473.pdb > /var/tmp/scwrl_1077139473.log sh: /var/tmp/scwrl_1077139473.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1077139473.pdb or /var/tmp/from_scwrl_1077139473.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1077139473_b.pdb or decoys//var/tmp/from_scwrl_1077139473_b.pdb.gz for input Trying /var/tmp/from_scwrl_1077139473_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1077139473_b.pdb or /var/tmp/from_scwrl_1077139473_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1077139473_a.pdb or decoys//var/tmp/from_scwrl_1077139473_a.pdb.gz for input Trying /var/tmp/from_scwrl_1077139473_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1077139473_a.pdb or /var/tmp/from_scwrl_1077139473_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1077139473.pdb or /var/tmp/from_scwrl_1077139473_b.pdb or /var/tmp/from_scwrl_1077139473_a.pdb Error: no new SCWRL conformation added # 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 T0314 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1331113891.pdb -s /var/tmp/to_scwrl_1331113891.seq -o /var/tmp/from_scwrl_1331113891.pdb > /var/tmp/scwrl_1331113891.log sh: /var/tmp/scwrl_1331113891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1331113891.pdb or /var/tmp/from_scwrl_1331113891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331113891_b.pdb or decoys//var/tmp/from_scwrl_1331113891_b.pdb.gz for input Trying /var/tmp/from_scwrl_1331113891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331113891_b.pdb or /var/tmp/from_scwrl_1331113891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331113891_a.pdb or decoys//var/tmp/from_scwrl_1331113891_a.pdb.gz for input Trying /var/tmp/from_scwrl_1331113891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331113891_a.pdb or /var/tmp/from_scwrl_1331113891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1331113891.pdb or /var/tmp/from_scwrl_1331113891_b.pdb or /var/tmp/from_scwrl_1331113891_a.pdb Error: no new SCWRL conformation added # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_679325270.pdb -s /var/tmp/to_scwrl_679325270.seq -o /var/tmp/from_scwrl_679325270.pdb > /var/tmp/scwrl_679325270.log sh: /var/tmp/scwrl_679325270.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_679325270.pdb or /var/tmp/from_scwrl_679325270.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_679325270_b.pdb or decoys//var/tmp/from_scwrl_679325270_b.pdb.gz for input Trying /var/tmp/from_scwrl_679325270_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_679325270_b.pdb or /var/tmp/from_scwrl_679325270_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_679325270_a.pdb or decoys//var/tmp/from_scwrl_679325270_a.pdb.gz for input Trying /var/tmp/from_scwrl_679325270_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_679325270_a.pdb or /var/tmp/from_scwrl_679325270_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_679325270.pdb or /var/tmp/from_scwrl_679325270_b.pdb or /var/tmp/from_scwrl_679325270_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_399276716.pdb -s /var/tmp/to_scwrl_399276716.seq -o /var/tmp/from_scwrl_399276716.pdb > /var/tmp/scwrl_399276716.log sh: /var/tmp/scwrl_399276716.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_399276716.pdb or /var/tmp/from_scwrl_399276716.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_399276716_b.pdb or decoys//var/tmp/from_scwrl_399276716_b.pdb.gz for input Trying /var/tmp/from_scwrl_399276716_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_399276716_b.pdb or /var/tmp/from_scwrl_399276716_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_399276716_a.pdb or decoys//var/tmp/from_scwrl_399276716_a.pdb.gz for input Trying /var/tmp/from_scwrl_399276716_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_399276716_a.pdb or /var/tmp/from_scwrl_399276716_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_399276716.pdb or /var/tmp/from_scwrl_399276716_b.pdb or /var/tmp/from_scwrl_399276716_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1438028917.pdb -s /var/tmp/to_scwrl_1438028917.seq -o /var/tmp/from_scwrl_1438028917.pdb > /var/tmp/scwrl_1438028917.log sh: /var/tmp/scwrl_1438028917.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1438028917.pdb or /var/tmp/from_scwrl_1438028917.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1438028917_b.pdb or decoys//var/tmp/from_scwrl_1438028917_b.pdb.gz for input Trying /var/tmp/from_scwrl_1438028917_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1438028917_b.pdb or /var/tmp/from_scwrl_1438028917_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1438028917_a.pdb or decoys//var/tmp/from_scwrl_1438028917_a.pdb.gz for input Trying /var/tmp/from_scwrl_1438028917_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1438028917_a.pdb or /var/tmp/from_scwrl_1438028917_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1438028917.pdb or /var/tmp/from_scwrl_1438028917_b.pdb or /var/tmp/from_scwrl_1438028917_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1216333882.pdb -s /var/tmp/to_scwrl_1216333882.seq -o /var/tmp/from_scwrl_1216333882.pdb > /var/tmp/scwrl_1216333882.log sh: /var/tmp/scwrl_1216333882.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1216333882.pdb or /var/tmp/from_scwrl_1216333882.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1216333882_b.pdb or decoys//var/tmp/from_scwrl_1216333882_b.pdb.gz for input Trying /var/tmp/from_scwrl_1216333882_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1216333882_b.pdb or /var/tmp/from_scwrl_1216333882_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1216333882_a.pdb or decoys//var/tmp/from_scwrl_1216333882_a.pdb.gz for input Trying /var/tmp/from_scwrl_1216333882_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1216333882_a.pdb or /var/tmp/from_scwrl_1216333882_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1216333882.pdb or /var/tmp/from_scwrl_1216333882_b.pdb or /var/tmp/from_scwrl_1216333882_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_236385836.pdb -s /var/tmp/to_scwrl_236385836.seq -o /var/tmp/from_scwrl_236385836.pdb > /var/tmp/scwrl_236385836.log sh: /var/tmp/scwrl_236385836.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_236385836.pdb or /var/tmp/from_scwrl_236385836.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_236385836_b.pdb or decoys//var/tmp/from_scwrl_236385836_b.pdb.gz for input Trying /var/tmp/from_scwrl_236385836_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_236385836_b.pdb or /var/tmp/from_scwrl_236385836_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_236385836_a.pdb or decoys//var/tmp/from_scwrl_236385836_a.pdb.gz for input Trying /var/tmp/from_scwrl_236385836_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_236385836_a.pdb or /var/tmp/from_scwrl_236385836_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_236385836.pdb or /var/tmp/from_scwrl_236385836_b.pdb or /var/tmp/from_scwrl_236385836_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0314 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2108997477.pdb -s /var/tmp/to_scwrl_2108997477.seq -o /var/tmp/from_scwrl_2108997477.pdb > /var/tmp/scwrl_2108997477.log sh: /var/tmp/scwrl_2108997477.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2108997477.pdb or /var/tmp/from_scwrl_2108997477.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108997477_b.pdb or decoys//var/tmp/from_scwrl_2108997477_b.pdb.gz for input Trying /var/tmp/from_scwrl_2108997477_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108997477_b.pdb or /var/tmp/from_scwrl_2108997477_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108997477_a.pdb or decoys//var/tmp/from_scwrl_2108997477_a.pdb.gz for input Trying /var/tmp/from_scwrl_2108997477_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108997477_a.pdb or /var/tmp/from_scwrl_2108997477_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2108997477.pdb or /var/tmp/from_scwrl_2108997477_b.pdb or /var/tmp/from_scwrl_2108997477_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 T0314 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_282709621.pdb -s /var/tmp/to_scwrl_282709621.seq -o /var/tmp/from_scwrl_282709621.pdb > /var/tmp/scwrl_282709621.log sh: /var/tmp/scwrl_282709621.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_282709621.pdb or /var/tmp/from_scwrl_282709621.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_282709621_b.pdb or decoys//var/tmp/from_scwrl_282709621_b.pdb.gz for input Trying /var/tmp/from_scwrl_282709621_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_282709621_b.pdb or /var/tmp/from_scwrl_282709621_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_282709621_a.pdb or decoys//var/tmp/from_scwrl_282709621_a.pdb.gz for input Trying /var/tmp/from_scwrl_282709621_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_282709621_a.pdb or /var/tmp/from_scwrl_282709621_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_282709621.pdb or /var/tmp/from_scwrl_282709621_b.pdb or /var/tmp/from_scwrl_282709621_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 34.411 sec, elapsed time= 42.306 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 94.228 real_cost = 345.452 panther2_TS1-scwrl costs 117.783 real_cost = 433.899 nFOLD_TS5-scwrl costs 73.152 real_cost = 384.328 nFOLD_TS4-scwrl costs 100.123 real_cost = 385.821 nFOLD_TS3-scwrl costs 82.256 real_cost = 392.526 nFOLD_TS2-scwrl costs 92.958 real_cost = 378.792 nFOLD_TS1-scwrl costs 85.145 real_cost = 354.390 mGen-3D_TS1-scwrl costs 94.123 real_cost = 361.415 keasar-server_TS5-scwrl costs 102.513 real_cost = 326.197 keasar-server_TS4-scwrl costs 105.346 real_cost = 322.976 keasar-server_TS3-scwrl costs 107.776 real_cost = 322.519 keasar-server_TS2-scwrl costs 110.026 real_cost = 325.142 keasar-server_TS1-scwrl costs 98.951 real_cost = 317.661 karypis.srv_TS5-scwrl costs 73.302 real_cost = 337.953 karypis.srv_TS4-scwrl costs 78.337 real_cost = 331.098 karypis.srv_TS3-scwrl costs 72.719 real_cost = 327.024 karypis.srv_TS2-scwrl costs 76.549 real_cost = 351.614 karypis.srv_TS1-scwrl costs 84.669 real_cost = 321.536 karypis.srv.4_TS5-scwrl costs 131.120 real_cost = 336.583 karypis.srv.4_TS4-scwrl costs 138.475 real_cost = 335.485 karypis.srv.4_TS3-scwrl costs 126.653 real_cost = 319.242 karypis.srv.4_TS2-scwrl costs 139.540 real_cost = 303.594 karypis.srv.4_TS1-scwrl costs 141.485 real_cost = 357.489 karypis.srv.2_TS5-scwrl costs 85.283 real_cost = 331.442 karypis.srv.2_TS4-scwrl costs 81.621 real_cost = 298.979 karypis.srv.2_TS3-scwrl costs 82.388 real_cost = 318.570 karypis.srv.2_TS2-scwrl costs 89.445 real_cost = 298.255 karypis.srv.2_TS1-scwrl costs 72.847 real_cost = 292.424 forecast-s_AL5-scwrl costs 90.592 real_cost = 426.852 forecast-s_AL4-scwrl costs 122.084 real_cost = 434.481 forecast-s_AL3-scwrl costs 117.134 real_cost = 424.739 forecast-s_AL2-scwrl costs 115.690 real_cost = 448.671 forecast-s_AL1-scwrl costs 111.376 real_cost = 448.674 beautshotbase_TS1-scwrl costs 104.843 real_cost = 322.268 beautshot_TS1-scwrl costs 111.802 real_cost = 300.486 Zhang-Server_TS5-scwrl costs 91.881 real_cost = 257.637 Zhang-Server_TS4-scwrl costs 91.159 real_cost = 290.548 Zhang-Server_TS3-scwrl costs 95.228 real_cost = 259.550 Zhang-Server_TS2-scwrl costs 86.037 real_cost = 293.744 Zhang-Server_TS1-scwrl costs 88.241 real_cost = 269.844 UNI-EID_sfst_AL5-scwrl costs 106.192 real_cost = 450.080 UNI-EID_sfst_AL4-scwrl costs 104.068 real_cost = 373.547 UNI-EID_sfst_AL3-scwrl costs 113.637 real_cost = 416.183 UNI-EID_sfst_AL2-scwrl costs 106.406 real_cost = 436.619 UNI-EID_sfst_AL1-scwrl costs 100.574 real_cost = 440.013 UNI-EID_expm_TS1-scwrl costs 136.842 real_cost = 398.295 UNI-EID_bnmx_TS5-scwrl costs 90.406 real_cost = 410.357 UNI-EID_bnmx_TS4-scwrl costs 97.060 real_cost = 442.586 UNI-EID_bnmx_TS3-scwrl costs 98.393 real_cost = 427.111 UNI-EID_bnmx_TS2-scwrl costs 100.291 real_cost = 417.546 UNI-EID_bnmx_TS1-scwrl costs 96.789 real_cost = 419.297 SPARKS2_TS5-scwrl costs 96.665 real_cost = 326.887 SPARKS2_TS4-scwrl costs 81.256 real_cost = 302.712 SPARKS2_TS3-scwrl costs 100.906 real_cost = 318.878 SPARKS2_TS2-scwrl costs 71.451 real_cost = 312.505 SPARKS2_TS1-scwrl costs 90.943 real_cost = 324.122 SP4_TS5-scwrl costs 85.812 real_cost = 295.837 SP4_TS4-scwrl costs 81.091 real_cost = 276.115 SP4_TS3-scwrl costs 85.341 real_cost = 290.163 SP4_TS2-scwrl costs 82.479 real_cost = 296.743 SP4_TS1-scwrl costs 74.015 real_cost = 314.399 SP3_TS5-scwrl costs 92.388 real_cost = 306.540 SP3_TS4-scwrl costs 77.030 real_cost = 310.384 SP3_TS3-scwrl costs 80.361 real_cost = 286.032 SP3_TS2-scwrl costs 82.921 real_cost = 293.411 SP3_TS1-scwrl costs 69.839 real_cost = 324.748 SAM_T06_server_TS5-scwrl costs 103.951 real_cost = 407.908 SAM_T06_server_TS4-scwrl costs 112.312 real_cost = 439.136 SAM_T06_server_TS3-scwrl costs 112.194 real_cost = 426.807 SAM_T06_server_TS2-scwrl costs 112.760 real_cost = 429.853 SAM_T06_server_TS1-scwrl costs 91.190 real_cost = 263.066 SAM-T02_AL5-scwrl costs 89.553 real_cost = 436.496 SAM-T02_AL4-scwrl costs 86.015 real_cost = 414.132 SAM-T02_AL3-scwrl costs 114.138 real_cost = 456.617 SAM-T02_AL2-scwrl costs 113.691 real_cost = 468.615 SAM-T02_AL1-scwrl costs 113.572 real_cost = 451.644 ROKKY_TS5-scwrl costs 68.876 real_cost = 365.675 ROKKY_TS4-scwrl costs 61.951 real_cost = 358.442 ROKKY_TS3-scwrl costs 76.385 real_cost = 325.410 ROKKY_TS2-scwrl costs 78.241 real_cost = 355.547 ROKKY_TS1-scwrl costs 59.287 real_cost = 365.425 ROBETTA_TS5-scwrl costs 67.335 real_cost = 303.773 ROBETTA_TS4-scwrl costs 68.041 real_cost = 281.098 ROBETTA_TS3-scwrl costs 58.520 real_cost = 276.570 ROBETTA_TS2-scwrl costs 66.913 real_cost = 271.507 ROBETTA_TS1-scwrl costs 59.600 real_cost = 267.552 RAPTOR_TS5-scwrl costs 70.434 real_cost = 299.742 RAPTOR_TS4-scwrl costs 91.720 real_cost = 324.521 RAPTOR_TS3-scwrl costs 79.234 real_cost = 295.314 RAPTOR_TS2-scwrl costs 84.169 real_cost = 305.797 RAPTOR_TS1-scwrl costs 70.714 real_cost = 310.086 RAPTORESS_TS5-scwrl costs 77.644 real_cost = 297.093 RAPTORESS_TS4-scwrl costs 105.609 real_cost = 314.062 RAPTORESS_TS3-scwrl costs 83.486 real_cost = 311.488 RAPTORESS_TS2-scwrl costs 104.905 real_cost = 298.440 RAPTORESS_TS1-scwrl costs 81.748 real_cost = 307.791 RAPTOR-ACE_TS5-scwrl costs 71.595 real_cost = 288.989 RAPTOR-ACE_TS4-scwrl costs 86.431 real_cost = 322.934 RAPTOR-ACE_TS3-scwrl costs 87.904 real_cost = 282.792 RAPTOR-ACE_TS2-scwrl costs 81.590 real_cost = 338.005 RAPTOR-ACE_TS1-scwrl costs 73.314 real_cost = 302.290 Pmodeller6_TS5-scwrl costs 77.962 real_cost = 308.490 Pmodeller6_TS4-scwrl costs 71.925 real_cost = 313.773 Pmodeller6_TS3-scwrl costs 71.925 real_cost = 313.773 Pmodeller6_TS2-scwrl costs 68.872 real_cost = 261.249 Pmodeller6_TS1-scwrl costs 74.740 real_cost = 286.791 Phyre-1_TS1-scwrl costs 112.461 real_cost = 435.114 Pcons6_TS5-scwrl costs 76.850 real_cost = 284.778 Pcons6_TS4-scwrl costs 72.400 real_cost = 283.700 Pcons6_TS3-scwrl costs 79.466 real_cost = 302.541 Pcons6_TS2-scwrl costs 84.284 real_cost = 324.413 Pcons6_TS1-scwrl costs 59.600 real_cost = 267.552 PROTINFO_TS5-scwrl costs 89.395 real_cost = 268.744 PROTINFO_TS4-scwrl costs 72.813 real_cost = 258.872 PROTINFO_TS3-scwrl costs 94.291 real_cost = 297.197 PROTINFO_TS2-scwrl costs 74.686 real_cost = 320.815 PROTINFO_TS1-scwrl costs 100.326 real_cost = 330.403 PROTINFO-AB_TS5-scwrl costs 72.006 real_cost = 264.808 PROTINFO-AB_TS4-scwrl costs 76.116 real_cost = 262.108 PROTINFO-AB_TS3-scwrl costs 77.462 real_cost = 277.578 PROTINFO-AB_TS2-scwrl costs 74.431 real_cost = 261.206 PROTINFO-AB_TS1-scwrl costs 72.813 real_cost = 258.872 POMYSL_TS5-scwrl costs 143.990 real_cost = 341.827 POMYSL_TS4-scwrl costs 125.034 real_cost = 335.963 POMYSL_TS3-scwrl costs 127.484 real_cost = 329.312 POMYSL_TS2-scwrl costs 153.969 real_cost = 465.472 POMYSL_TS1-scwrl costs 151.697 real_cost = 460.499 NN_PUT_lab_TS1-scwrl costs 81.952 real_cost = 302.452 MetaTasser_TS5-scwrl costs 118.376 real_cost = 303.081 MetaTasser_TS4-scwrl costs 101.226 real_cost = 294.834 MetaTasser_TS3-scwrl costs 108.244 real_cost = 283.846 MetaTasser_TS2-scwrl costs 116.934 real_cost = 306.314 MetaTasser_TS1-scwrl costs 115.763 real_cost = 295.954 Ma-OPUS-server_TS5-scwrl costs 95.346 real_cost = 304.754 Ma-OPUS-server_TS4-scwrl costs 89.321 real_cost = 309.678 Ma-OPUS-server_TS3-scwrl costs 73.717 real_cost = 292.665 Ma-OPUS-server_TS2-scwrl costs 78.503 real_cost = 300.413 Ma-OPUS-server_TS1-scwrl costs 98.553 real_cost = 308.665 LOOPP_TS5-scwrl costs 104.705 real_cost = 304.070 LOOPP_TS4-scwrl costs 95.654 real_cost = 277.478 LOOPP_TS3-scwrl costs 88.608 real_cost = 345.847 LOOPP_TS2-scwrl costs 94.890 real_cost = 316.291 LOOPP_TS1-scwrl costs 81.952 real_cost = 302.452 Huber-Torda-Server_TS5-scwrl costs 89.044 real_cost = 379.574 Huber-Torda-Server_TS4-scwrl costs 94.134 real_cost = 395.971 Huber-Torda-Server_TS3-scwrl costs 95.837 real_cost = 407.849 Huber-Torda-Server_TS2-scwrl costs 74.191 real_cost = 422.847 Huber-Torda-Server_TS1-scwrl costs 79.397 real_cost = 390.113 HHpred3_TS1-scwrl costs 97.193 real_cost = 298.029 HHpred2_TS1-scwrl costs 97.193 real_cost = 298.029 HHpred1_TS1-scwrl costs 98.905 real_cost = 322.306 GeneSilicoMetaServer_TS5-scwrl costs 73.115 real_cost = 319.434 GeneSilicoMetaServer_TS4-scwrl costs 72.360 real_cost = 308.636 GeneSilicoMetaServer_TS3-scwrl costs 96.260 real_cost = 293.851 GeneSilicoMetaServer_TS2-scwrl costs 91.376 real_cost = 280.000 GeneSilicoMetaServer_TS1-scwrl costs 89.800 real_cost = 326.380 FUNCTION_TS5-scwrl costs 102.953 real_cost = 327.552 FUNCTION_TS4-scwrl costs 93.414 real_cost = 314.197 FUNCTION_TS3-scwrl costs 101.586 real_cost = 320.172 FUNCTION_TS2-scwrl costs 136.897 real_cost = 325.185 FUNCTION_TS1-scwrl costs 140.048 real_cost = 324.708 FUGUE_AL5-scwrl costs 96.647 real_cost = 438.166 FUGUE_AL4-scwrl costs 90.934 real_cost = 408.595 FUGUE_AL3-scwrl costs 124.538 real_cost = 444.164 FUGUE_AL2-scwrl costs 92.172 real_cost = 420.546 FUGUE_AL1-scwrl costs 91.590 real_cost = 400.469 FPSOLVER-SERVER_TS5-scwrl costs 125.838 real_cost = 318.437 FPSOLVER-SERVER_TS4-scwrl costs 95.015 real_cost = 293.188 FPSOLVER-SERVER_TS3-scwrl costs 111.790 real_cost = 321.616 FPSOLVER-SERVER_TS2-scwrl costs 102.761 real_cost = 321.012 FPSOLVER-SERVER_TS1-scwrl costs 102.920 real_cost = 315.975 FORTE2_AL5-scwrl costs 111.590 real_cost = 449.529 FORTE2_AL4-scwrl costs 120.900 real_cost = 414.829 FORTE2_AL3-scwrl costs 112.916 real_cost = 415.966 FORTE2_AL2-scwrl costs 111.723 real_cost = 457.854 FORTE2_AL1-scwrl costs 109.506 real_cost = 408.692 FORTE1_AL5-scwrl costs 120.900 real_cost = 414.829 FORTE1_AL4-scwrl costs 109.761 real_cost = 426.270 FORTE1_AL3-scwrl costs 112.916 real_cost = 415.966 FORTE1_AL2-scwrl costs 111.723 real_cost = 457.854 FORTE1_AL1-scwrl costs 109.506 real_cost = 408.692 FOLDpro_TS5-scwrl costs 93.058 real_cost = 314.783 FOLDpro_TS4-scwrl costs 80.973 real_cost = 317.632 FOLDpro_TS3-scwrl costs 111.038 real_cost = 344.419 FOLDpro_TS2-scwrl costs 93.968 real_cost = 321.756 FOLDpro_TS1-scwrl costs 106.441 real_cost = 321.433 FAMS_TS5-scwrl costs 102.923 real_cost = 324.828 FAMS_TS4-scwrl costs 102.333 real_cost = 309.483 FAMS_TS3-scwrl costs 105.050 real_cost = 310.008 FAMS_TS2-scwrl costs 93.414 real_cost = 314.197 FAMS_TS1-scwrl costs 100.715 real_cost = 306.166 FAMSD_TS5-scwrl costs 93.079 real_cost = 336.388 FAMSD_TS4-scwrl costs 95.000 real_cost = 324.192 FAMSD_TS3-scwrl costs 105.365 real_cost = 319.237 FAMSD_TS2-scwrl costs 102.923 real_cost = 324.828 FAMSD_TS1-scwrl costs 98.804 real_cost = 314.748 Distill_TS5-scwrl costs 227.745 real_cost = 363.605 Distill_TS4-scwrl costs 229.515 real_cost = 365.212 Distill_TS3-scwrl costs 232.276 real_cost = 372.246 Distill_TS2-scwrl costs 226.695 real_cost = 361.222 Distill_TS1-scwrl costs 230.273 real_cost = 371.048 CaspIta-FOX_TS5-scwrl costs 115.560 real_cost = 377.533 CaspIta-FOX_TS4-scwrl costs 112.128 real_cost = 331.632 CaspIta-FOX_TS3-scwrl costs 88.513 real_cost = 384.179 CaspIta-FOX_TS2-scwrl costs 122.126 real_cost = 399.779 CaspIta-FOX_TS1-scwrl costs 101.972 real_cost = 360.815 CIRCLE_TS5-scwrl costs 102.333 real_cost = 309.483 CIRCLE_TS4-scwrl costs 100.351 real_cost = 317.476 CIRCLE_TS3-scwrl costs 93.830 real_cost = 296.450 CIRCLE_TS2-scwrl costs 99.561 real_cost = 306.038 CIRCLE_TS1-scwrl costs 105.050 real_cost = 310.008 Bilab-ENABLE_TS5-scwrl costs 75.966 real_cost = 293.082 Bilab-ENABLE_TS4-scwrl costs 76.530 real_cost = 291.585 Bilab-ENABLE_TS3-scwrl costs 74.917 real_cost = 285.171 Bilab-ENABLE_TS2-scwrl costs 73.477 real_cost = 286.753 Bilab-ENABLE_TS1-scwrl costs 74.624 real_cost = 291.204 BayesHH_TS1-scwrl costs 100.175 real_cost = 302.577 ABIpro_TS5-scwrl costs 87.043 real_cost = 296.669 ABIpro_TS4-scwrl costs 78.823 real_cost = 256.714 ABIpro_TS3-scwrl costs 78.847 real_cost = 278.245 ABIpro_TS2-scwrl costs 61.960 real_cost = 292.808 ABIpro_TS1-scwrl costs 76.464 real_cost = 278.033 3Dpro_TS5-scwrl costs 105.770 real_cost = 334.535 3Dpro_TS4-scwrl costs 108.951 real_cost = 322.266 3Dpro_TS3-scwrl costs 121.713 real_cost = 337.496 3Dpro_TS2-scwrl costs 101.527 real_cost = 339.399 3Dpro_TS1-scwrl costs 105.372 real_cost = 313.301 3D-JIGSAW_TS5-scwrl costs 93.638 real_cost = 330.763 3D-JIGSAW_TS4-scwrl costs 102.374 real_cost = 326.055 3D-JIGSAW_TS3-scwrl costs 97.034 real_cost = 304.002 3D-JIGSAW_TS2-scwrl costs 94.375 real_cost = 277.481 3D-JIGSAW_TS1-scwrl costs 119.427 real_cost = 337.347 3D-JIGSAW_RECOM_TS2-scwrl costs 105.665 real_cost = 330.698 3D-JIGSAW_RECOM_TS1-scwrl costs 111.918 real_cost = 313.015 3D-JIGSAW_POPULUS_TS5-scwrl costs 100.141 real_cost = 310.232 3D-JIGSAW_POPULUS_TS4-scwrl costs 80.708 real_cost = 310.426 3D-JIGSAW_POPULUS_TS3-scwrl costs 93.844 real_cost = 270.930 3D-JIGSAW_POPULUS_TS2-scwrl costs 83.241 real_cost = 318.733 3D-JIGSAW_POPULUS_TS1-scwrl costs 95.957 real_cost = 279.095 T0314.try9-opt2.repack-nonPC.pdb.gz costs 121.930 real_cost = 322.732 T0314.try9-opt2.pdb.gz costs 121.930 real_cost = 323.253 T0314.try9-opt2.gromacs0.pdb.gz costs 103.386 real_cost = 322.610 T0314.try9-opt1.pdb.gz costs 118.378 real_cost = 323.681 T0314.try9-opt1-scwrl.pdb.gz costs 118.378 real_cost = 323.624 T0314.try8-opt2.repack-nonPC.pdb.gz costs 120.534 real_cost = 321.406 T0314.try8-opt2.pdb.gz costs 120.534 real_cost = 321.945 T0314.try8-opt2.gromacs0.pdb.gz costs 97.409 real_cost = 320.282 T0314.try8-opt1.pdb.gz costs 107.350 real_cost = 321.224 T0314.try8-opt1-scwrl.pdb.gz costs 107.350 real_cost = 321.248 T0314.try7-opt2.repack-nonPC.pdb.gz costs 118.062 real_cost = 328.138 T0314.try7-opt2.pdb.gz costs 118.062 real_cost = 328.113 T0314.try7-opt2.gromacs0.pdb.gz costs 93.418 real_cost = 327.051 T0314.try7-opt1.pdb.gz costs 106.626 real_cost = 326.831 T0314.try7-opt1-scwrl.pdb.gz costs 106.626 real_cost = 326.973 T0314.try6-opt2.repack-nonPC.pdb.gz costs 100.027 real_cost = 314.919 T0314.try6-opt2.pdb.gz costs 100.027 real_cost = 315.033 T0314.try6-opt2.gromacs0.pdb.gz costs 80.541 real_cost = 314.831 T0314.try6-opt1.pdb.gz costs 88.442 real_cost = 314.690 T0314.try6-opt1-scwrl.pdb.gz costs 88.442 real_cost = 314.280 T0314.try50-opt2.repack-nonPC.pdb.gz costs 88.937 real_cost = 302.812 T0314.try50-opt2.pdb.gz costs 88.937 real_cost = 302.731 T0314.try50-opt2.gromacs0.repack-nonPC.pdb.gz costs 87.226 real_cost = 301.889 T0314.try50-opt2.gromacs0.pdb.gz costs 87.226 real_cost = 302.026 T0314.try50-opt1.pdb.gz costs 89.174 real_cost = 300.728 T0314.try50-opt1-scwrl.pdb.gz costs 89.174 real_cost = 299.663 T0314.try5-opt2.repack-nonPC.pdb.gz costs 126.497 real_cost = 328.322 T0314.try5-opt2.pdb.gz costs 126.497 real_cost = 328.069 T0314.try5-opt2.gromacs0.pdb.gz costs 100.929 real_cost = 326.490 T0314.try5-opt1.pdb.gz costs 119.152 real_cost = 328.547 T0314.try5-opt1-scwrl.pdb.gz costs 119.152 real_cost = 328.209 T0314.try49-opt2.repack-nonPC.pdb.gz costs 80.368 real_cost = 263.666 T0314.try49-opt2.pdb.gz costs 80.368 real_cost = 266.533 T0314.try49-opt2.gromacs0.repack-nonPC.pdb.gz costs 67.129 real_cost = 266.416 T0314.try49-opt2.gromacs0.pdb.gz costs 67.129 real_cost = 269.137 T0314.try49-opt1.pdb.gz costs 79.172 real_cost = 266.760 T0314.try49-opt1-scwrl.pdb.gz costs 79.172 real_cost = 264.168 T0314.try48-opt2.repack-nonPC.pdb.gz costs 79.513 real_cost = 313.682 T0314.try48-opt2.pdb.gz costs 79.513 real_cost = 314.076 T0314.try48-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.371 real_cost = 314.135 T0314.try48-opt2.gromacs0.pdb.gz costs 57.371 real_cost = 314.584 T0314.try48-opt1.pdb.gz costs 73.643 real_cost = 313.433 T0314.try48-opt1-scwrl.pdb.gz costs 73.643 real_cost = 312.672 T0314.try47-opt2.repack-nonPC.pdb.gz costs 84.060 real_cost = 265.274 T0314.try47-opt2.pdb.gz costs 84.060 real_cost = 267.893 T0314.try47-opt2.gromacs0.repack-nonPC.pdb.gz costs 69.559 real_cost = 266.507 T0314.try47-opt2.gromacs0.pdb.gz costs 69.559 real_cost = 268.997 T0314.try47-opt1.pdb.gz costs 82.103 real_cost = 270.298 T0314.try47-opt1-scwrl.pdb.gz costs 82.103 real_cost = 266.143 T0314.try46-opt2.repack-nonPC.pdb.gz costs 86.169 real_cost = 315.949 T0314.try46-opt2.pdb.gz costs 86.169 real_cost = 315.861 T0314.try46-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.600 real_cost = 315.568 T0314.try46-opt2.gromacs0.pdb.gz costs 62.600 real_cost = 315.154 T0314.try46-opt1.pdb.gz costs 84.671 real_cost = 315.853 T0314.try46-opt1-scwrl.pdb.gz costs 84.671 real_cost = 315.449 T0314.try45-opt2.repack-nonPC.pdb.gz costs 79.234 real_cost = 277.573 T0314.try45-opt2.pdb.gz costs 79.234 real_cost = 277.822 T0314.try45-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.676 real_cost = 278.319 T0314.try45-opt2.gromacs0.pdb.gz costs 64.676 real_cost = 278.318 T0314.try45-opt1.pdb.gz costs 71.527 real_cost = 276.419 T0314.try45-opt1-scwrl.pdb.gz costs 71.527 real_cost = 276.010 T0314.try44-opt2.pdb.gz costs 92.068 real_cost = 308.816 T0314.try44-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.342 real_cost = 309.629 T0314.try44-opt2.gromacs0.pdb.gz costs 64.342 real_cost = 310.195 T0314.try44-opt2-fix-loop.pdb.gz costs 85.279 real_cost = 316.837 T0314.try44-opt1.pdb.gz costs 87.138 real_cost = 308.958 T0314.try44-opt1-scwrl.pdb.gz costs 87.138 real_cost = 308.515 T0314.try43-opt2.repack-nonPC.pdb.gz costs 93.857 real_cost = 305.951 T0314.try43-opt2.pdb.gz costs 93.857 real_cost = 306.114 T0314.try43-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.709 real_cost = 305.836 T0314.try43-opt2.gromacs0.pdb.gz costs 64.709 real_cost = 305.897 T0314.try43-opt1.pdb.gz costs 94.086 real_cost = 305.607 T0314.try43-opt1-scwrl.pdb.gz costs 94.086 real_cost = 305.063 T0314.try42-opt2.repack-nonPC.pdb.gz costs 116.137 real_cost = 307.846 T0314.try42-opt2.pdb.gz costs 116.137 real_cost = 308.568 T0314.try42-opt2.gromacs0.repack-nonPC.pdb.gz costs 92.444 real_cost = 310.388 T0314.try42-opt2.gromacs0.pdb.gz costs 92.444 real_cost = 312.064 T0314.try42-opt1.pdb.gz costs 105.604 real_cost = 308.264 T0314.try42-opt1-scwrl.pdb.gz costs 105.604 real_cost = 308.629 T0314.try41-opt2.repack-nonPC.pdb.gz costs 106.227 real_cost = 311.287 T0314.try41-opt2.pdb.gz costs 106.227 real_cost = 311.682 T0314.try41-opt2.gromacs0.repack-nonPC.pdb.gz costs 97.302 real_cost = 315.650 T0314.try41-opt2.gromacs0.pdb.gz costs 97.302 real_cost = 315.868 T0314.try41-opt1.pdb.gz costs 106.983 real_cost = 315.401 T0314.try41-opt1-scwrl.pdb.gz costs 106.983 real_cost = 315.262 T0314.try40-opt2.repack-nonPC.pdb.gz costs 118.500 real_cost = 321.384 T0314.try40-opt2.pdb.gz costs 118.500 real_cost = 321.640 T0314.try40-opt2.gromacs0.repack-nonPC.pdb.gz costs 97.854 real_cost = 322.756 T0314.try40-opt2.gromacs0.pdb.gz costs 97.854 real_cost = 323.123 T0314.try40-opt1.pdb.gz costs 121.452 real_cost = 322.015 T0314.try40-opt1-scwrl.pdb.gz costs 121.452 real_cost = 322.078 T0314.try4-opt2.repack-nonPC.pdb.gz costs 86.653 real_cost = 293.350 T0314.try4-opt2.pdb.gz costs 86.653 real_cost = 294.251 T0314.try4-opt2.gromacs0.pdb.gz costs 67.099 real_cost = 297.472 T0314.try4-opt1.pdb.gz costs 80.158 real_cost = 295.007 T0314.try4-opt1-scwrl.pdb.gz costs 80.158 real_cost = 294.355 T0314.try39-opt2.repack-nonPC.pdb.gz costs 89.181 real_cost = 308.962 T0314.try39-opt2.pdb.gz costs 89.181 real_cost = 308.962 T0314.try39-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.288 real_cost = 306.832 T0314.try39-opt2.gromacs0.pdb.gz costs 62.288 real_cost = 306.700 T0314.try39-opt1.pdb.gz costs 78.356 real_cost = 310.073 T0314.try39-opt1-scwrl.pdb.gz costs 78.356 real_cost = 309.837 T0314.try38-opt2.repack-nonPC.pdb.gz costs 78.229 real_cost = 317.126 T0314.try38-opt2.pdb.gz costs 78.229 real_cost = 317.344 T0314.try38-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.823 real_cost = 312.877 T0314.try38-opt2.gromacs0.pdb.gz costs 55.823 real_cost = 313.386 T0314.try38-opt1.pdb.gz costs 75.814 real_cost = 314.977 T0314.try38-opt1-scwrl.pdb.gz costs 75.814 real_cost = 314.734 T0314.try37-opt2.repack-nonPC.pdb.gz costs 88.501 real_cost = 298.344 T0314.try37-opt2.pdb.gz costs 88.501 real_cost = 298.320 T0314.try37-opt2.gromacs0.repack-nonPC.pdb.gz costs 79.851 real_cost = 301.536 T0314.try37-opt2.gromacs0.pdb.gz costs 79.851 real_cost = 301.549 T0314.try37-opt1.pdb.gz costs 86.617 real_cost = 298.463 T0314.try37-opt1-scwrl.pdb.gz costs 86.617 real_cost = 298.479 T0314.try36-opt2.repack-nonPC.pdb.gz costs 81.296 real_cost = 272.397 T0314.try36-opt2.pdb.gz costs 81.296 real_cost = 272.552 T0314.try36-opt2.gromacs0.repack-nonPC.pdb.gz costs 79.200 real_cost = 272.272 T0314.try36-opt2.gromacs0.pdb.gz costs 79.200 real_cost = 271.236 T0314.try36-opt1.pdb.gz costs 80.867 real_cost = 274.443 T0314.try36-opt1-scwrl.pdb.gz costs 80.867 real_cost = 274.539 T0314.try35-opt2.repack-nonPC.pdb.gz costs 118.825 real_cost = 322.419 T0314.try35-opt2.pdb.gz costs 118.825 real_cost = 322.611 T0314.try35-opt2.gromacs0.repack-nonPC.pdb.gz costs 98.511 real_cost = 322.393 T0314.try35-opt2.gromacs0.pdb.gz costs 98.511 real_cost = 322.537 T0314.try35-opt1.pdb.gz costs 119.379 real_cost = 321.653 T0314.try35-opt1-scwrl.pdb.gz costs 119.379 real_cost = 321.617 T0314.try34-opt2.repack-nonPC.pdb.gz costs 81.053 real_cost = 266.706 T0314.try34-opt2.pdb.gz costs 81.053 real_cost = 272.235 T0314.try34-opt2.gromacs0.repack-nonPC.pdb.gz costs 67.168 real_cost = 272.433 T0314.try34-opt2.gromacs0.pdb.gz costs 67.168 real_cost = 274.707 T0314.try34-opt1.pdb.gz costs 80.660 real_cost = 270.230 T0314.try34-opt1-scwrl.pdb.gz costs 80.660 real_cost = 268.094 T0314.try33-opt2.repack-nonPC.pdb.gz costs 95.859 real_cost = 304.220 T0314.try33-opt2.pdb.gz costs 95.859 real_cost = 304.314 T0314.try33-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.681 real_cost = 304.468 T0314.try33-opt2.gromacs0.pdb.gz costs 64.681 real_cost = 304.660 T0314.try33-opt2-fix-loop.pdb.gz costs 92.733 real_cost = 303.010 T0314.try33-opt1.pdb.gz costs 93.075 real_cost = 305.453 T0314.try33-opt1-scwrl.pdb.gz costs 93.075 real_cost = 305.097 T0314.try32-opt2.repack-nonPC.pdb.gz costs 75.305 real_cost = 316.268 T0314.try32-opt2.pdb.gz costs 75.305 real_cost = 316.261 T0314.try32-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.835 real_cost = 317.042 T0314.try32-opt2.gromacs0.pdb.gz costs 60.835 real_cost = 316.971 T0314.try32-opt1.pdb.gz costs 77.455 real_cost = 316.221 T0314.try32-opt1-scwrl.pdb.gz costs 77.455 real_cost = 315.867 T0314.try31-opt2.repack-nonPC.pdb.gz costs 79.417 real_cost = 256.920 T0314.try31-opt2.pdb.gz costs 79.417 real_cost = 260.406 T0314.try31-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.401 real_cost = 262.224 T0314.try31-opt2.gromacs0.pdb.gz costs 57.401 real_cost = 263.363 T0314.try31-opt1.pdb.gz costs 78.246 real_cost = 262.317 T0314.try31-opt1-scwrl.pdb.gz costs 78.246 real_cost = 259.573 T0314.try30-opt2.repack-nonPC.pdb.gz costs 75.363 real_cost = 262.290 T0314.try30-opt2.pdb.gz costs 75.363 real_cost = 264.773 T0314.try30-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.978 real_cost = 267.102 T0314.try30-opt2.gromacs0.pdb.gz costs 58.978 real_cost = 268.290 T0314.try30-opt2-fix-loop.pdb.gz costs 77.468 real_cost = 265.337 T0314.try30-opt1.pdb.gz costs 76.531 real_cost = 263.071 T0314.try30-opt1-scwrl.pdb.gz costs 76.531 real_cost = 260.655 T0314.try3-opt2.repack-nonPC.pdb.gz costs 92.663 real_cost = 307.804 T0314.try3-opt2.pdb.gz costs 92.663 real_cost = 309.008 T0314.try3-opt2.gromacs0.pdb.gz costs 76.375 real_cost = 309.198 T0314.try3-opt1.pdb.gz costs 93.163 real_cost = 308.870 T0314.try3-opt1-scwrl.pdb.gz costs 93.163 real_cost = 307.866 T0314.try29-opt2.repack-nonPC.pdb.gz costs 77.337 real_cost = 315.974 T0314.try29-opt2.pdb.gz costs 77.337 real_cost = 316.280 T0314.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.364 real_cost = 316.231 T0314.try29-opt2.gromacs0.pdb.gz costs 59.364 real_cost = 316.789 T0314.try29-opt1.pdb.gz costs 73.321 real_cost = 316.591 T0314.try29-opt1-scwrl.pdb.gz costs 73.321 real_cost = 316.355 T0314.try28-opt2.repack-nonPC.pdb.gz costs 119.816 real_cost = 323.792 T0314.try28-opt2.pdb.gz costs 119.816 real_cost = 324.063 T0314.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 98.080 real_cost = 327.255 T0314.try28-opt2.gromacs0.pdb.gz costs 98.080 real_cost = 327.583 T0314.try28-opt1.pdb.gz costs 114.707 real_cost = 323.361 T0314.try28-opt1-scwrl.pdb.gz costs 114.707 real_cost = 323.406 T0314.try27-opt2.repack-nonPC.pdb.gz costs 116.754 real_cost = 312.958 T0314.try27-opt2.pdb.gz costs 116.754 real_cost = 313.075 T0314.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 97.307 real_cost = 314.326 T0314.try27-opt2.gromacs0.pdb.gz costs 97.307 real_cost = 314.545 T0314.try27-opt1.pdb.gz costs 108.951 real_cost = 313.311 T0314.try27-opt1-scwrl.pdb.gz costs 108.951 real_cost = 312.571 T0314.try26-opt2.repack-nonPC.pdb.gz costs 102.152 real_cost = 311.077 T0314.try26-opt2.pdb.gz costs 102.152 real_cost = 311.101 T0314.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 81.977 real_cost = 309.515 T0314.try26-opt2.gromacs0.pdb.gz costs 81.977 real_cost = 309.729 T0314.try26-opt1.pdb.gz costs 99.837 real_cost = 310.755 T0314.try26-opt1-scwrl.pdb.gz costs 99.837 real_cost = 311.083 T0314.try25-opt2.repack-nonPC.pdb.gz costs 101.588 real_cost = 307.960 T0314.try25-opt2.pdb.gz costs 101.588 real_cost = 308.285 T0314.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 80.085 real_cost = 308.739 T0314.try25-opt2.gromacs0.pdb.gz costs 80.085 real_cost = 309.055 T0314.try25-opt1.pdb.gz costs 92.938 real_cost = 299.728 T0314.try25-opt1-scwrl.pdb.gz costs 92.938 real_cost = 298.913 T0314.try24-opt2.repack-nonPC.pdb.gz costs 109.489 real_cost = 319.996 T0314.try24-opt2.pdb.gz costs 109.489 real_cost = 319.908 T0314.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 86.670 real_cost = 320.920 T0314.try24-opt2.gromacs0.pdb.gz costs 86.670 real_cost = 321.171 T0314.try24-opt1.pdb.gz costs 93.426 real_cost = 319.034 T0314.try24-opt1-scwrl.pdb.gz costs 93.426 real_cost = 319.073 T0314.try23-opt2.repack-nonPC.pdb.gz costs 85.887 real_cost = 305.996 T0314.try23-opt2.pdb.gz costs 85.887 real_cost = 306.019 T0314.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 79.004 real_cost = 307.403 T0314.try23-opt2.gromacs0.pdb.gz costs 79.004 real_cost = 308.216 T0314.try23-opt1.pdb.gz costs 87.228 real_cost = 316.984 T0314.try23-opt1-scwrl.pdb.gz costs 87.228 real_cost = 315.822 T0314.try22-opt2.repack-nonPC.pdb.gz costs 121.645 real_cost = 321.323 T0314.try22-opt2.pdb.gz costs 121.645 real_cost = 321.071 T0314.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 98.066 real_cost = 322.837 T0314.try22-opt2.gromacs0.pdb.gz costs 98.066 real_cost = 322.982 T0314.try22-opt1.pdb.gz costs 115.537 real_cost = 320.698 T0314.try22-opt1-scwrl.pdb.gz costs 115.537 real_cost = 320.766 T0314.try21-opt2.repack-nonPC.pdb.gz costs 115.640 real_cost = 314.342 T0314.try21-opt2.pdb.gz costs 115.640 real_cost = 314.748 T0314.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 95.824 real_cost = 317.709 T0314.try21-opt2.gromacs0.pdb.gz costs 95.824 real_cost = 317.882 T0314.try21-opt1.pdb.gz costs 106.514 real_cost = 315.489 T0314.try21-opt1-scwrl.pdb.gz costs 106.514 real_cost = 314.972 T0314.try20-opt2.repack-nonPC.pdb.gz costs 74.016 real_cost = 319.792 T0314.try20-opt2.pdb.gz costs 74.016 real_cost = 319.773 T0314.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.860 real_cost = 319.585 T0314.try20-opt2.gromacs0.pdb.gz costs 56.860 real_cost = 319.680 T0314.try20-opt2-moved-strand-and-helix.pdb.gz costs 79.600 real_cost = 315.409 T0314.try20-opt2-fix-loop.pdb.gz costs 78.128 real_cost = 317.623 T0314.try20-opt2-fix-loop-2nd-try.pdb.gz costs 81.349 real_cost = 314.180 T0314.try20-opt1.pdb.gz costs 65.710 real_cost = 319.307 T0314.try20-opt1-scwrl.pdb.gz costs 65.710 real_cost = 319.189 T0314.try2-opt2.repack-nonPC.pdb.gz costs 76.675 real_cost = 278.271 T0314.try2-opt2.pdb.gz costs 76.675 real_cost = 278.738 T0314.try2-opt2.gromacs0.pdb.gz costs 65.784 real_cost = 281.053 T0314.try2-opt1.pdb.gz costs 76.325 real_cost = 276.666 T0314.try2-opt1-scwrl.pdb.gz costs 76.325 real_cost = 276.428 T0314.try19-opt2.repack-nonPC.pdb.gz costs 95.056 real_cost = 302.690 T0314.try19-opt2.pdb.gz costs 95.056 real_cost = 303.705 T0314.try19-opt2.gromacs0.pdb.gz costs 67.566 real_cost = 305.228 T0314.try19-opt1.pdb.gz costs 94.261 real_cost = 304.045 T0314.try19-opt1-scwrl.pdb.gz costs 94.261 real_cost = 302.305 T0314.try18-opt2.repack-nonPC.pdb.gz costs 98.532 real_cost = 310.972 T0314.try18-opt2.pdb.gz costs 98.532 real_cost = 310.905 T0314.try18-opt2.gromacs0.pdb.gz costs 80.050 real_cost = 312.586 T0314.try18-opt1.pdb.gz costs 96.995 real_cost = 313.217 T0314.try18-opt1-scwrl.pdb.gz costs 96.995 real_cost = 312.928 T0314.try17-opt2.repack-nonPC.pdb.gz costs 122.278 real_cost = 321.745 T0314.try17-opt2.pdb.gz costs 122.278 real_cost = 322.093 T0314.try17-opt2.gromacs0.pdb.gz costs 98.595 real_cost = 321.779 T0314.try17-opt1.pdb.gz costs 123.192 real_cost = 321.307 T0314.try17-opt1-scwrl.pdb.gz costs 123.192 real_cost = 321.326 T0314.try16-opt2.repack-nonPC.pdb.gz costs 94.325 real_cost = 302.845 T0314.try16-opt2.pdb.gz costs 94.325 real_cost = 304.900 T0314.try16-opt2.gromacs0.pdb.gz costs 68.490 real_cost = 305.581 T0314.try16-opt1.pdb.gz costs 86.968 real_cost = 302.512 T0314.try16-opt1-scwrl.pdb.gz costs 86.968 real_cost = 301.805 T0314.try15-opt2.repack-nonPC.pdb.gz costs 115.463 real_cost = 291.201 T0314.try15-opt2.pdb.gz costs 115.463 real_cost = 292.391 T0314.try15-opt2.gromacs0.pdb.gz costs 80.423 real_cost = 297.231 T0314.try15-opt1.pdb.gz costs 106.908 real_cost = 293.300 T0314.try15-opt1-scwrl.pdb.gz costs 106.908 real_cost = 292.598 T0314.try14-opt2.repack-nonPC.pdb.gz costs 73.748 real_cost = 280.310 T0314.try14-opt2.pdb.gz costs 73.748 real_cost = 284.211 T0314.try14-opt2.gromacs0.pdb.gz costs 64.492 real_cost = 284.195 T0314.try14-opt1.pdb.gz costs 72.082 real_cost = 282.091 T0314.try14-opt1-scwrl.pdb.gz costs 72.082 real_cost = 282.703 T0314.try13-opt2.repack-nonPC.pdb.gz costs 76.777 real_cost = 262.466 T0314.try13-opt2.pdb.gz costs 76.777 real_cost = 263.383 T0314.try13-opt2.gromacs0.pdb.gz costs 58.833 real_cost = 266.217 T0314.try13-opt2-moved-strand-and-helices.pdb.gz costs 77.214 real_cost = 267.360 T0314.try13-opt1.pdb.gz costs 68.580 real_cost = 262.140 T0314.try13-opt1-scwrl.pdb.gz costs 68.580 real_cost = 261.999 T0314.try12-opt2.repack-nonPC.pdb.gz costs 124.109 real_cost = 319.626 T0314.try12-opt2.pdb.gz costs 124.109 real_cost = 320.862 T0314.try12-opt2.gromacs0.pdb.gz costs 100.319 real_cost = 321.302 T0314.try12-opt1.pdb.gz costs 116.570 real_cost = 322.033 T0314.try12-opt1-scwrl.pdb.gz costs 116.570 real_cost = 320.023 T0314.try11-opt2.repack-nonPC.pdb.gz costs 114.692 real_cost = 319.620 T0314.try11-opt2.pdb.gz costs 114.692 real_cost = 320.344 T0314.try11-opt2.gromacs0.pdb.gz costs 92.678 real_cost = 320.159 T0314.try11-opt1.pdb.gz costs 105.486 real_cost = 319.118 T0314.try11-opt1-scwrl.pdb.gz costs 105.486 real_cost = 318.643 T0314.try10-opt2.repack-nonPC.pdb.gz costs 127.206 real_cost = 328.013 T0314.try10-opt2.pdb.gz costs 127.206 real_cost = 327.663 T0314.try10-opt2.gromacs0.pdb.gz costs 108.165 real_cost = 325.196 T0314.try10-opt1.pdb.gz costs 118.725 real_cost = 327.823 T0314.try10-opt1-scwrl.pdb.gz costs 118.725 real_cost = 327.208 T0314.try1-opt2.repack-nonPC.pdb.gz costs 82.536 real_cost = 298.704 T0314.try1-opt2.pdb.gz costs 82.536 real_cost = 298.197 T0314.try1-opt2.gromacs0.pdb.gz costs 70.102 real_cost = 297.478 T0314.try1-opt1.pdb.gz costs 77.886 real_cost = 296.603 T0314.try1-opt1-scwrl.pdb.gz costs 77.886 real_cost = 296.415 ../model5.ts-submitted costs 73.748 real_cost = 283.992 ../model4.ts-submitted costs 119.644 real_cost = 322.611 ../model3.ts-submitted costs 115.641 real_cost = 315.268 ../model2.ts-submitted costs 75.363 real_cost = 264.850 ../model1.ts-submitted costs 79.513 real_cost = 314.115 align5 costs 93.163 real_cost = 378.546 align4 costs 101.600 real_cost = 418.589 align3 costs 82.318 real_cost = 401.465 align2 costs 82.674 real_cost = 399.281 align1 costs 97.383 real_cost = 364.028 T0314.try1-opt2.pdb costs 82.536 real_cost = 298.197 model5-scwrl costs 73.748 real_cost = 283.992 model4-scwrl costs 119.644 real_cost = 322.611 model3-scwrl costs 115.641 real_cost = 315.268 model2-scwrl costs 75.363 real_cost = 264.850 model1-scwrl costs 79.513 real_cost = 314.115 2hg6A costs 70.110 real_cost = -895.000 # command:CPU_time= 251.849 sec, elapsed time= 259.987 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/T0314'