make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0311' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0311.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/T0311.} ;\ 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/T0311/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2icpA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183310876 # 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= 6.859 sec, elapsed time= 6.905 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= 6.943 sec, elapsed time= 7.017 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0311 numbered 1 through 97 Created new target T0311 from T0311.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2icpA expands to /projects/compbio/data/pdb/2icp.pdb.gz 2icpA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 87 residues and 672 atoms. # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 9.863 sec, elapsed time= 10.028 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 94 # 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 = -67.241 # GDT_score(maxd=8.000,maxw=2.900)= -67.992 # GDT_score(maxd=8.000,maxw=3.200)= -65.699 # GDT_score(maxd=8.000,maxw=3.500)= -63.109 # GDT_score(maxd=10.000,maxw=3.800)= -65.756 # GDT_score(maxd=10.000,maxw=4.000)= -63.944 # GDT_score(maxd=10.000,maxw=4.200)= -62.123 # GDT_score(maxd=12.000,maxw=4.300)= -65.538 # GDT_score(maxd=12.000,maxw=4.500)= -63.730 # GDT_score(maxd=12.000,maxw=4.700)= -61.934 # GDT_score(maxd=14.000,maxw=5.200)= -61.009 # GDT_score(maxd=14.000,maxw=5.500)= -58.419 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0311.model1-real.pdb for output Error: Couldn't open file T0311.model1-real.pdb for output superimposing iter= 0 total_weight= 1019 rmsd (weighted)= 6.80175 (unweighted)= 12.6053 superimposing iter= 1 total_weight= 2902.47 rmsd (weighted)= 2.82722 (unweighted)= 12.4878 superimposing iter= 2 total_weight= 1334.18 rmsd (weighted)= 1.96183 (unweighted)= 12.5264 superimposing iter= 3 total_weight= 834.539 rmsd (weighted)= 1.74521 (unweighted)= 12.5547 superimposing iter= 4 total_weight= 727.664 rmsd (weighted)= 1.66559 (unweighted)= 12.577 superimposing iter= 5 total_weight= 702.865 rmsd (weighted)= 1.61709 (unweighted)= 12.5965 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 38.128 -8.091 -0.226 1.00 0.00 ATOM 2 CA MET A 1 38.928 -6.896 -0.553 1.00 0.00 ATOM 3 CB MET A 1 38.212 -5.623 -0.068 1.00 0.00 ATOM 4 CG MET A 1 39.045 -4.340 -0.219 1.00 0.00 ATOM 5 SD MET A 1 38.238 -2.822 0.371 1.00 0.00 ATOM 6 CE MET A 1 36.925 -2.765 -0.822 1.00 0.00 ATOM 7 O MET A 1 40.394 -7.270 1.311 1.00 0.00 ATOM 8 C MET A 1 40.281 -6.868 0.154 1.00 0.00 ATOM 9 N LYS A 2 41.283 -6.415 -0.531 1.00 0.00 ATOM 10 CA LYS A 2 42.624 -6.341 0.045 1.00 0.00 ATOM 11 CB LYS A 2 43.641 -6.017 -1.049 1.00 0.00 ATOM 12 CG LYS A 2 43.738 -7.102 -2.112 1.00 0.00 ATOM 13 CD LYS A 2 44.804 -6.769 -3.152 1.00 0.00 ATOM 14 CE LYS A 2 45.003 -7.989 -4.037 1.00 0.00 ATOM 15 NZ LYS A 2 45.718 -7.616 -5.253 1.00 0.00 ATOM 16 O LYS A 2 43.291 -5.534 2.183 1.00 0.00 ATOM 17 C LYS A 2 42.661 -5.312 1.165 1.00 0.00 ATOM 18 N MET A 3 41.969 -4.140 1.008 1.00 0.00 ATOM 19 CA MET A 3 41.941 -3.115 2.039 1.00 0.00 ATOM 20 CB MET A 3 41.332 -1.797 1.541 1.00 0.00 ATOM 21 CG MET A 3 42.160 -1.182 0.420 1.00 0.00 ATOM 22 SD MET A 3 42.004 0.620 0.198 1.00 0.00 ATOM 23 CE MET A 3 43.071 1.110 1.542 1.00 0.00 ATOM 24 O MET A 3 41.595 -3.278 4.409 1.00 0.00 ATOM 25 C MET A 3 41.214 -3.601 3.288 1.00 0.00 ATOM 26 N ALA A 4 40.167 -4.357 3.077 1.00 0.00 ATOM 27 CA ALA A 4 39.390 -4.875 4.190 1.00 0.00 ATOM 28 CB ALA A 4 38.011 -5.136 3.630 1.00 0.00 ATOM 29 O ALA A 4 39.650 -6.492 5.918 1.00 0.00 ATOM 30 C ALA A 4 40.028 -6.122 4.826 1.00 0.00 ATOM 31 N ASN A 5 41.049 -6.705 4.197 1.00 0.00 ATOM 32 CA ASN A 5 41.782 -7.807 4.829 1.00 0.00 ATOM 33 CB ASN A 5 42.827 -8.401 3.988 1.00 0.00 ATOM 34 CG ASN A 5 42.249 -9.451 3.067 1.00 0.00 ATOM 35 ND2 ASN A 5 42.645 -9.429 1.806 1.00 0.00 ATOM 36 OD1 ASN A 5 41.421 -10.260 3.485 1.00 0.00 ATOM 37 O ASN A 5 42.345 -7.818 7.169 1.00 0.00 ATOM 38 C ASN A 5 42.526 -7.320 6.072 1.00 0.00 ATOM 39 N HIS A 6 43.328 -6.267 5.886 1.00 0.00 ATOM 40 CA HIS A 6 44.008 -5.636 7.032 1.00 0.00 ATOM 41 CB HIS A 6 44.779 -4.449 6.556 1.00 0.00 ATOM 42 CG HIS A 6 45.929 -4.826 5.680 1.00 0.00 ATOM 43 CD2 HIS A 6 47.245 -4.995 5.958 1.00 0.00 ATOM 44 ND1 HIS A 6 45.780 -5.139 4.344 1.00 0.00 ATOM 45 CE1 HIS A 6 46.951 -5.482 3.840 1.00 0.00 ATOM 46 NE2 HIS A 6 47.857 -5.403 4.798 1.00 0.00 ATOM 47 O HIS A 6 41.864 -4.823 7.566 1.00 0.00 ATOM 48 C HIS A 6 42.921 -5.218 8.041 1.00 0.00 ATOM 49 N PRO A 7 43.076 -5.476 9.344 1.00 0.00 ATOM 50 CA PRO A 7 42.047 -5.165 10.350 1.00 0.00 ATOM 51 CB PRO A 7 42.474 -5.921 11.595 1.00 0.00 ATOM 52 CG PRO A 7 43.989 -5.980 11.457 1.00 0.00 ATOM 53 CD PRO A 7 44.172 -6.252 9.963 1.00 0.00 ATOM 54 O PRO A 7 40.868 -3.346 11.250 1.00 0.00 ATOM 55 C PRO A 7 41.803 -3.710 10.579 1.00 0.00 ATOM 56 N ARG A 8 42.637 -2.762 9.994 1.00 0.00 ATOM 57 CA ARG A 8 42.414 -1.314 10.154 1.00 0.00 ATOM 58 CB ARG A 8 43.170 -0.561 9.048 1.00 0.00 ATOM 59 CG ARG A 8 44.373 -1.235 8.403 1.00 0.00 ATOM 60 CD ARG A 8 44.466 -0.646 6.994 1.00 0.00 ATOM 61 NE ARG A 8 45.782 -0.815 6.372 1.00 0.00 ATOM 62 CZ ARG A 8 46.119 -0.343 5.163 1.00 0.00 ATOM 63 NH1 ARG A 8 47.342 -0.468 4.678 1.00 0.00 ATOM 64 NH2 ARG A 8 45.228 0.214 4.371 1.00 0.00 ATOM 65 O ARG A 8 40.485 0.042 10.662 1.00 0.00 ATOM 66 C ARG A 8 40.938 -0.858 9.954 1.00 0.00 ATOM 67 N PRO A 9 40.260 -1.322 8.890 1.00 0.00 ATOM 68 CA PRO A 9 38.886 -0.885 8.585 1.00 0.00 ATOM 69 CB PRO A 9 38.528 -1.555 7.250 1.00 0.00 ATOM 70 CG PRO A 9 39.377 -2.816 7.247 1.00 0.00 ATOM 71 CD PRO A 9 40.663 -2.281 7.846 1.00 0.00 ATOM 72 O PRO A 9 36.970 -0.384 9.892 1.00 0.00 ATOM 73 C PRO A 9 37.874 -1.197 9.695 1.00 0.00 ATOM 74 N GLY A 10 38.105 -2.259 10.451 1.00 0.00 ATOM 75 CA GLY A 10 37.262 -2.682 11.580 1.00 0.00 ATOM 76 O GLY A 10 36.258 -1.404 13.316 1.00 0.00 ATOM 77 C GLY A 10 37.298 -1.683 12.725 1.00 0.00 ATOM 78 N ASP A 11 38.475 -1.116 13.038 1.00 0.00 ATOM 79 CA ASP A 11 38.586 -0.083 14.077 1.00 0.00 ATOM 80 CB ASP A 11 40.071 0.260 14.342 1.00 0.00 ATOM 81 CG ASP A 11 40.771 -0.765 15.208 1.00 0.00 ATOM 82 OD1 ASP A 11 40.080 -1.564 15.863 1.00 0.00 ATOM 83 OD2 ASP A 11 42.022 -0.788 15.216 1.00 0.00 ATOM 84 O ASP A 11 37.120 1.784 14.481 1.00 0.00 ATOM 85 C ASP A 11 37.857 1.201 13.698 1.00 0.00 ATOM 86 N ILE A 12 37.959 1.528 12.410 1.00 0.00 ATOM 87 CA ILE A 12 37.248 2.700 11.880 1.00 0.00 ATOM 88 CB ILE A 12 37.694 3.014 10.441 1.00 0.00 ATOM 89 CG1 ILE A 12 39.199 3.260 10.346 1.00 0.00 ATOM 90 CG2 ILE A 12 36.856 4.157 9.842 1.00 0.00 ATOM 91 CD1 ILE A 12 39.673 4.455 11.173 1.00 0.00 ATOM 92 O ILE A 12 35.014 3.404 12.369 1.00 0.00 ATOM 93 C ILE A 12 35.731 2.503 11.970 1.00 0.00 ATOM 94 N ILE A 13 35.261 1.334 11.522 1.00 0.00 ATOM 95 CA ILE A 13 33.816 1.029 11.560 1.00 0.00 ATOM 96 CB ILE A 13 33.506 -0.343 10.915 1.00 0.00 ATOM 97 CG1 ILE A 13 33.934 -0.339 9.436 1.00 0.00 ATOM 98 CG2 ILE A 13 32.009 -0.668 11.000 1.00 0.00 ATOM 99 CD1 ILE A 13 33.879 -1.721 8.775 1.00 0.00 ATOM 100 O ILE A 13 32.248 1.657 13.290 1.00 0.00 ATOM 101 C ILE A 13 33.315 1.089 13.023 1.00 0.00 ATOM 102 N GLN A 14 34.100 0.549 13.963 1.00 0.00 ATOM 103 CA GLN A 14 33.742 0.586 15.399 1.00 0.00 ATOM 104 CB GLN A 14 35.012 0.067 16.075 1.00 0.00 ATOM 105 CG GLN A 14 34.845 -0.587 17.436 1.00 0.00 ATOM 106 CD GLN A 14 36.157 -0.550 18.232 1.00 0.00 ATOM 107 OE1 GLN A 14 37.291 -0.691 17.772 1.00 0.00 ATOM 108 NE2 GLN A 14 36.003 -0.380 19.513 1.00 0.00 ATOM 109 O GLN A 14 32.687 2.413 16.578 1.00 0.00 ATOM 110 C GLN A 14 33.635 2.043 15.882 1.00 0.00 ATOM 111 N GLU A 15 34.607 2.854 15.501 1.00 0.00 ATOM 112 CA GLU A 15 34.585 4.261 15.904 1.00 0.00 ATOM 113 CB GLU A 15 35.861 4.969 15.490 1.00 0.00 ATOM 114 CG GLU A 15 35.944 6.408 15.963 1.00 0.00 ATOM 115 CD GLU A 15 37.237 7.129 15.548 1.00 0.00 ATOM 116 OE1 GLU A 15 38.276 6.482 15.199 1.00 0.00 ATOM 117 OE2 GLU A 15 37.222 8.372 15.574 1.00 0.00 ATOM 118 O GLU A 15 32.647 5.721 16.027 1.00 0.00 ATOM 119 C GLU A 15 33.379 5.034 15.315 1.00 0.00 ATOM 120 N SER A 16 33.147 4.887 14.017 1.00 0.00 ATOM 121 CA SER A 16 32.063 5.581 13.350 1.00 0.00 ATOM 122 CB SER A 16 32.140 5.359 11.849 1.00 0.00 ATOM 123 OG SER A 16 33.318 5.940 11.316 1.00 0.00 ATOM 124 O SER A 16 29.827 5.944 14.138 1.00 0.00 ATOM 125 C SER A 16 30.708 5.125 13.881 1.00 0.00 ATOM 126 N LEU A 17 30.535 3.814 14.064 1.00 0.00 ATOM 127 CA LEU A 17 29.276 3.278 14.569 1.00 0.00 ATOM 128 CB LEU A 17 29.355 1.761 14.583 1.00 0.00 ATOM 129 CG LEU A 17 29.300 1.141 13.196 1.00 0.00 ATOM 130 CD1 LEU A 17 29.553 -0.359 13.352 1.00 0.00 ATOM 131 CD2 LEU A 17 27.923 1.342 12.584 1.00 0.00 ATOM 132 O LEU A 17 27.893 4.262 16.264 1.00 0.00 ATOM 133 C LEU A 17 28.997 3.800 15.969 1.00 0.00 ATOM 134 N ASP A 18 29.997 3.726 16.853 1.00 0.00 ATOM 135 CA ASP A 18 29.801 4.163 18.241 1.00 0.00 ATOM 136 CB ASP A 18 30.989 3.750 19.116 1.00 0.00 ATOM 137 CG ASP A 18 31.062 2.233 19.360 1.00 0.00 ATOM 138 OD1 ASP A 18 30.041 1.532 19.129 1.00 0.00 ATOM 139 OD2 ASP A 18 32.098 1.793 19.916 1.00 0.00 ATOM 140 O ASP A 18 28.617 6.061 19.028 1.00 0.00 ATOM 141 C ASP A 18 29.567 5.663 18.349 1.00 0.00 ATOM 142 N GLU A 19 30.235 6.433 17.488 1.00 0.00 ATOM 143 CA GLU A 19 30.010 7.903 17.436 1.00 0.00 ATOM 144 CB GLU A 19 31.021 8.588 16.529 1.00 0.00 ATOM 145 CG GLU A 19 32.412 8.691 17.131 1.00 0.00 ATOM 146 CD GLU A 19 32.396 9.131 18.588 1.00 0.00 ATOM 147 OE1 GLU A 19 32.794 8.315 19.449 1.00 0.00 ATOM 148 OE2 GLU A 19 31.979 10.277 18.878 1.00 0.00 ATOM 149 O GLU A 19 28.069 9.303 17.297 1.00 0.00 ATOM 150 C GLU A 19 28.620 8.238 16.957 1.00 0.00 ATOM 151 N LEU A 20 28.022 7.356 16.170 1.00 0.00 ATOM 152 CA LEU A 20 26.670 7.539 15.652 1.00 0.00 ATOM 153 CB LEU A 20 26.515 6.846 14.296 1.00 0.00 ATOM 154 CG LEU A 20 27.411 7.454 13.225 1.00 0.00 ATOM 155 CD1 LEU A 20 27.244 6.616 11.985 1.00 0.00 ATOM 156 CD2 LEU A 20 27.044 8.906 12.942 1.00 0.00 ATOM 157 O LEU A 20 24.423 7.164 16.284 1.00 0.00 ATOM 158 C LEU A 20 25.598 6.998 16.586 1.00 0.00 ATOM 159 N ASN A 21 25.996 6.320 17.656 1.00 0.00 ATOM 160 CA ASN A 21 25.090 5.700 18.657 1.00 0.00 ATOM 161 CB ASN A 21 24.132 6.738 19.259 1.00 0.00 ATOM 162 CG ASN A 21 24.907 7.821 19.981 1.00 0.00 ATOM 163 ND2 ASN A 21 24.576 9.037 19.671 1.00 0.00 ATOM 164 OD1 ASN A 21 25.772 7.568 20.813 1.00 0.00 ATOM 165 O ASN A 21 23.086 4.409 18.232 1.00 0.00 ATOM 166 C ASN A 21 24.284 4.552 18.031 1.00 0.00 ATOM 167 N VAL A 22 24.969 3.737 17.291 1.00 0.00 ATOM 168 CA VAL A 22 24.335 2.557 16.686 1.00 0.00 ATOM 169 CB VAL A 22 24.447 2.600 15.146 1.00 0.00 ATOM 170 CG1 VAL A 22 23.858 1.328 14.535 1.00 0.00 ATOM 171 CG2 VAL A 22 23.771 3.841 14.617 1.00 0.00 ATOM 172 O VAL A 22 26.245 1.211 17.326 1.00 0.00 ATOM 173 C VAL A 22 25.026 1.289 17.209 1.00 0.00 ATOM 174 N SER A 23 24.199 0.410 17.748 1.00 0.00 ATOM 175 CA SER A 23 24.686 -0.892 18.223 1.00 0.00 ATOM 176 CB SER A 23 23.633 -1.619 19.061 1.00 0.00 ATOM 177 OG SER A 23 22.576 -2.137 18.254 1.00 0.00 ATOM 178 O SER A 23 24.581 -1.618 15.918 1.00 0.00 ATOM 179 C SER A 23 25.089 -1.770 17.025 1.00 0.00 ATOM 180 N LEU A 24 25.848 -2.824 17.319 1.00 0.00 ATOM 181 CA LEU A 24 26.200 -3.814 16.277 1.00 0.00 ATOM 182 CB LEU A 24 27.207 -4.818 16.835 1.00 0.00 ATOM 183 CG LEU A 24 28.473 -4.166 17.402 1.00 0.00 ATOM 184 CD1 LEU A 24 29.519 -5.228 17.669 1.00 0.00 ATOM 185 CD2 LEU A 24 29.010 -3.122 16.430 1.00 0.00 ATOM 186 O LEU A 24 24.792 -4.799 14.656 1.00 0.00 ATOM 187 C LEU A 24 24.945 -4.547 15.823 1.00 0.00 ATOM 188 N ARG A 25 23.986 -4.806 16.710 1.00 0.00 ATOM 189 CA ARG A 25 22.712 -5.396 16.261 1.00 0.00 ATOM 190 CB ARG A 25 21.788 -5.694 17.405 1.00 0.00 ATOM 191 CG ARG A 25 22.228 -6.876 18.261 1.00 0.00 ATOM 192 CD ARG A 25 21.103 -7.335 19.185 1.00 0.00 ATOM 193 NE ARG A 25 20.804 -6.372 20.243 1.00 0.00 ATOM 194 CZ ARG A 25 21.526 -6.231 21.350 1.00 0.00 ATOM 195 NH1 ARG A 25 22.593 -6.992 21.553 1.00 0.00 ATOM 196 NH2 ARG A 25 21.183 -5.327 22.259 1.00 0.00 ATOM 197 O ARG A 25 21.412 -4.890 14.279 1.00 0.00 ATOM 198 C ARG A 25 21.928 -4.464 15.304 1.00 0.00 ATOM 199 N GLU A 26 21.854 -3.190 15.645 1.00 0.00 ATOM 200 CA GLU A 26 21.138 -2.221 14.826 1.00 0.00 ATOM 201 CB GLU A 26 20.974 -0.891 15.514 1.00 0.00 ATOM 202 CG GLU A 26 19.886 -0.902 16.568 1.00 0.00 ATOM 203 CD GLU A 26 19.655 0.491 17.255 1.00 0.00 ATOM 204 OE1 GLU A 26 19.876 1.519 16.581 1.00 0.00 ATOM 205 OE2 GLU A 26 19.230 0.468 18.475 1.00 0.00 ATOM 206 O GLU A 26 21.097 -2.033 12.444 1.00 0.00 ATOM 207 C GLU A 26 21.797 -2.049 13.461 1.00 0.00 ATOM 208 N PHE A 27 23.123 -1.898 13.481 1.00 0.00 ATOM 209 CA PHE A 27 23.871 -1.717 12.230 1.00 0.00 ATOM 210 CB PHE A 27 25.311 -1.373 12.595 1.00 0.00 ATOM 211 CG PHE A 27 26.273 -1.138 11.491 1.00 0.00 ATOM 212 CD1 PHE A 27 26.079 -0.197 10.495 1.00 0.00 ATOM 213 CD2 PHE A 27 27.501 -1.838 11.490 1.00 0.00 ATOM 214 CE1 PHE A 27 27.079 0.007 9.520 1.00 0.00 ATOM 215 CE2 PHE A 27 28.469 -1.635 10.558 1.00 0.00 ATOM 216 CZ PHE A 27 28.261 -0.681 9.571 1.00 0.00 ATOM 217 O PHE A 27 23.496 -2.793 10.112 1.00 0.00 ATOM 218 C PHE A 27 23.674 -2.933 11.325 1.00 0.00 ATOM 219 N ALA A 28 23.711 -4.138 11.918 1.00 0.00 ATOM 220 CA ALA A 28 23.535 -5.380 11.167 1.00 0.00 ATOM 221 CB ALA A 28 23.719 -6.551 12.121 1.00 0.00 ATOM 222 O ALA A 28 21.998 -5.775 9.377 1.00 0.00 ATOM 223 C ALA A 28 22.154 -5.404 10.531 1.00 0.00 ATOM 224 N ARG A 29 21.100 -4.990 11.281 1.00 0.00 ATOM 225 CA ARG A 29 19.738 -4.951 10.757 1.00 0.00 ATOM 226 CB ARG A 29 18.747 -4.566 11.856 1.00 0.00 ATOM 227 CG ARG A 29 18.628 -5.747 12.801 1.00 0.00 ATOM 228 CD ARG A 29 17.691 -5.408 13.933 1.00 0.00 ATOM 229 NE ARG A 29 17.330 -6.608 14.674 1.00 0.00 ATOM 230 CZ ARG A 29 16.770 -6.636 15.874 1.00 0.00 ATOM 231 NH1 ARG A 29 16.435 -5.539 16.523 1.00 0.00 ATOM 232 NH2 ARG A 29 16.566 -7.797 16.455 1.00 0.00 ATOM 233 O ARG A 29 18.975 -4.196 8.610 1.00 0.00 ATOM 234 C ARG A 29 19.554 -3.902 9.658 1.00 0.00 ATOM 235 N ALA A 30 20.067 -2.710 9.865 1.00 0.00 ATOM 236 CA ALA A 30 19.973 -1.677 8.837 1.00 0.00 ATOM 237 CB ALA A 30 20.501 -0.332 9.383 1.00 0.00 ATOM 238 O ALA A 30 20.250 -1.754 6.454 1.00 0.00 ATOM 239 C ALA A 30 20.726 -2.024 7.550 1.00 0.00 ATOM 240 N MET A 31 21.854 -2.714 7.704 1.00 0.00 ATOM 241 CA MET A 31 22.689 -3.096 6.559 1.00 0.00 ATOM 242 CB MET A 31 24.140 -2.925 7.030 1.00 0.00 ATOM 243 CG MET A 31 24.764 -4.279 7.273 1.00 0.00 ATOM 244 SD MET A 31 26.520 -4.369 7.679 1.00 0.00 ATOM 245 CE MET A 31 26.676 -4.102 9.416 1.00 0.00 ATOM 246 O MET A 31 23.109 -4.980 5.056 1.00 0.00 ATOM 247 C MET A 31 22.372 -4.475 5.912 1.00 0.00 ATOM 248 N GLU A 32 21.406 -5.164 6.527 1.00 0.00 ATOM 249 CA GLU A 32 20.936 -6.516 6.147 1.00 0.00 ATOM 250 CB GLU A 32 20.199 -6.380 4.810 1.00 0.00 ATOM 251 CG GLU A 32 19.150 -5.253 4.802 1.00 0.00 ATOM 252 CD GLU A 32 18.606 -4.800 3.438 1.00 0.00 ATOM 253 OE1 GLU A 32 19.354 -4.916 2.443 1.00 0.00 ATOM 254 OE2 GLU A 32 17.496 -4.239 3.452 1.00 0.00 ATOM 255 O GLU A 32 22.312 -8.314 5.334 1.00 0.00 ATOM 256 C GLU A 32 22.084 -7.512 6.238 1.00 0.00 ATOM 257 N ILE A 33 22.816 -7.499 7.371 1.00 0.00 ATOM 258 CA ILE A 33 23.987 -8.315 7.620 1.00 0.00 ATOM 259 CB ILE A 33 25.272 -7.470 7.592 1.00 0.00 ATOM 260 CG1 ILE A 33 26.190 -7.882 6.442 1.00 0.00 ATOM 261 CG2 ILE A 33 26.078 -7.393 8.905 1.00 0.00 ATOM 262 CD1 ILE A 33 25.677 -7.469 5.060 1.00 0.00 ATOM 263 O ILE A 33 23.345 -8.424 9.933 1.00 0.00 ATOM 264 C ILE A 33 23.814 -9.017 8.969 1.00 0.00 ATOM 265 N ALA A 34 24.367 -10.217 9.044 1.00 0.00 ATOM 266 CA ALA A 34 24.463 -10.944 10.331 1.00 0.00 ATOM 267 CB ALA A 34 25.167 -12.298 10.134 1.00 0.00 ATOM 268 O ALA A 34 26.336 -9.674 11.122 1.00 0.00 ATOM 269 C ALA A 34 25.214 -10.115 11.374 1.00 0.00 ATOM 270 N PRO A 35 24.663 -10.061 12.592 1.00 0.00 ATOM 271 CA PRO A 35 25.367 -9.429 13.724 1.00 0.00 ATOM 272 CB PRO A 35 24.374 -9.545 14.884 1.00 0.00 ATOM 273 CG PRO A 35 23.027 -9.451 14.181 1.00 0.00 ATOM 274 CD PRO A 35 23.256 -10.319 12.939 1.00 0.00 ATOM 275 O PRO A 35 27.746 -9.410 14.221 1.00 0.00 ATOM 276 C PRO A 35 26.735 -10.077 14.021 1.00 0.00 ATOM 277 N SER A 36 26.820 -11.391 13.854 1.00 0.00 ATOM 278 CA SER A 36 28.116 -12.077 14.036 1.00 0.00 ATOM 279 CB SER A 36 27.960 -13.579 13.892 1.00 0.00 ATOM 280 OG SER A 36 27.578 -13.933 12.548 1.00 0.00 ATOM 281 O SER A 36 30.318 -11.439 13.306 1.00 0.00 ATOM 282 C SER A 36 29.132 -11.566 13.000 1.00 0.00 ATOM 283 N THR A 37 28.640 -11.253 11.783 1.00 0.00 ATOM 284 CA THR A 37 29.496 -10.745 10.700 1.00 0.00 ATOM 285 CB THR A 37 28.681 -10.643 9.406 1.00 0.00 ATOM 286 CG2 THR A 37 29.570 -10.281 8.219 1.00 0.00 ATOM 287 OG1 THR A 37 28.049 -11.873 9.071 1.00 0.00 ATOM 288 O THR A 37 31.232 -9.107 10.752 1.00 0.00 ATOM 289 C THR A 37 30.043 -9.344 11.002 1.00 0.00 ATOM 290 N ALA A 38 29.211 -8.458 11.515 1.00 0.00 ATOM 291 CA ALA A 38 29.644 -7.093 11.873 1.00 0.00 ATOM 292 CB ALA A 38 28.446 -6.250 12.346 1.00 0.00 ATOM 293 O ALA A 38 31.802 -6.554 12.786 1.00 0.00 ATOM 294 C ALA A 38 30.730 -7.131 12.964 1.00 0.00 ATOM 295 N SER A 39 30.544 -8.027 13.923 1.00 0.00 ATOM 296 CA SER A 39 31.552 -8.251 14.985 1.00 0.00 ATOM 297 CB SER A 39 30.966 -9.198 16.044 1.00 0.00 ATOM 298 OG SER A 39 31.879 -9.413 17.102 1.00 0.00 ATOM 299 O SER A 39 33.958 -8.372 14.752 1.00 0.00 ATOM 300 C SER A 39 32.846 -8.806 14.390 1.00 0.00 ATOM 301 N ARG A 40 32.723 -9.796 13.469 1.00 0.00 ATOM 302 CA ARG A 40 33.843 -10.415 12.757 1.00 0.00 ATOM 303 CB ARG A 40 33.163 -11.195 11.630 1.00 0.00 ATOM 304 CG ARG A 40 33.664 -12.574 11.222 1.00 0.00 ATOM 305 CD ARG A 40 32.856 -13.631 11.968 1.00 0.00 ATOM 306 NE ARG A 40 31.437 -13.631 11.557 1.00 0.00 ATOM 307 CZ ARG A 40 30.956 -14.212 10.460 1.00 0.00 ATOM 308 NH1 ARG A 40 31.726 -14.920 9.658 1.00 0.00 ATOM 309 NH2 ARG A 40 29.689 -14.086 10.113 1.00 0.00 ATOM 310 O ARG A 40 35.863 -9.345 12.017 1.00 0.00 ATOM 311 C ARG A 40 34.632 -9.360 11.987 1.00 0.00 ATOM 312 N LEU A 41 33.921 -8.467 11.298 1.00 0.00 ATOM 313 CA LEU A 41 34.562 -7.396 10.536 1.00 0.00 ATOM 314 CB LEU A 41 33.523 -6.656 9.709 1.00 0.00 ATOM 315 CG LEU A 41 32.994 -7.521 8.566 1.00 0.00 ATOM 316 CD1 LEU A 41 31.828 -6.785 7.913 1.00 0.00 ATOM 317 CD2 LEU A 41 34.101 -7.770 7.556 1.00 0.00 ATOM 318 O LEU A 41 36.393 -5.897 11.064 1.00 0.00 ATOM 319 C LEU A 41 35.307 -6.400 11.426 1.00 0.00 ATOM 320 N LEU A 42 34.734 -6.099 12.566 1.00 0.00 ATOM 321 CA LEU A 42 35.358 -5.228 13.551 1.00 0.00 ATOM 322 CB LEU A 42 34.393 -4.963 14.708 1.00 0.00 ATOM 323 CG LEU A 42 33.069 -4.283 14.367 1.00 0.00 ATOM 324 CD1 LEU A 42 32.258 -4.121 15.644 1.00 0.00 ATOM 325 CD2 LEU A 42 33.324 -2.930 13.718 1.00 0.00 ATOM 326 O LEU A 42 37.587 -5.012 14.382 1.00 0.00 ATOM 327 C LEU A 42 36.684 -5.783 14.081 1.00 0.00 ATOM 328 N THR A 43 36.825 -7.106 14.058 1.00 0.00 ATOM 329 CA THR A 43 38.050 -7.797 14.526 1.00 0.00 ATOM 330 CB THR A 43 37.686 -9.070 15.333 1.00 0.00 ATOM 331 CG2 THR A 43 36.719 -8.801 16.464 1.00 0.00 ATOM 332 OG1 THR A 43 36.983 -9.988 14.476 1.00 0.00 ATOM 333 O THR A 43 40.119 -8.591 13.554 1.00 0.00 ATOM 334 C THR A 43 38.993 -8.084 13.365 1.00 0.00 ATOM 335 N GLY A 44 38.568 -7.849 12.106 1.00 0.00 ATOM 336 CA GLY A 44 39.388 -8.123 10.938 1.00 0.00 ATOM 337 O GLY A 44 39.989 -10.001 9.548 1.00 0.00 ATOM 338 C GLY A 44 39.238 -9.557 10.451 1.00 0.00 ATOM 339 N LYS A 45 38.265 -10.313 10.983 1.00 0.00 ATOM 340 CA LYS A 45 38.188 -11.757 10.648 1.00 0.00 ATOM 341 CB LYS A 45 37.331 -12.479 11.689 1.00 0.00 ATOM 342 CG LYS A 45 37.200 -13.977 11.409 1.00 0.00 ATOM 343 CD LYS A 45 36.242 -14.611 12.398 1.00 0.00 ATOM 344 CE LYS A 45 36.235 -16.116 12.207 1.00 0.00 ATOM 345 NZ LYS A 45 35.258 -16.776 13.082 1.00 0.00 ATOM 346 O LYS A 45 37.710 -13.131 8.696 1.00 0.00 ATOM 347 C LYS A 45 37.699 -12.008 9.213 1.00 0.00 ATOM 348 N ALA A 46 37.068 -11.016 8.626 1.00 0.00 ATOM 349 CA ALA A 46 36.415 -11.303 7.350 1.00 0.00 ATOM 350 CB ALA A 46 34.926 -10.969 7.442 1.00 0.00 ATOM 351 O ALA A 46 37.264 -9.352 6.287 1.00 0.00 ATOM 352 C ALA A 46 36.974 -10.544 6.171 1.00 0.00 ATOM 353 N ALA A 47 37.037 -11.291 5.071 1.00 0.00 ATOM 354 CA ALA A 47 37.385 -10.722 3.772 1.00 0.00 ATOM 355 CB ALA A 47 37.566 -11.838 2.738 1.00 0.00 ATOM 356 O ALA A 47 35.510 -10.069 2.419 1.00 0.00 ATOM 357 C ALA A 47 36.296 -9.760 3.312 1.00 0.00 ATOM 358 N LEU A 48 36.195 -8.601 4.080 1.00 0.00 ATOM 359 CA LEU A 48 35.177 -7.612 3.758 1.00 0.00 ATOM 360 CB LEU A 48 35.234 -6.458 4.759 1.00 0.00 ATOM 361 CG LEU A 48 34.231 -5.344 4.473 1.00 0.00 ATOM 362 CD1 LEU A 48 32.829 -5.867 4.698 1.00 0.00 ATOM 363 CD2 LEU A 48 34.455 -4.193 5.441 1.00 0.00 ATOM 364 O LEU A 48 36.647 -6.994 1.969 1.00 0.00 ATOM 365 C LEU A 48 35.499 -7.064 2.388 1.00 0.00 ATOM 366 N THR A 49 34.439 -6.953 1.630 1.00 0.00 ATOM 367 CA THR A 49 34.554 -6.624 0.209 1.00 0.00 ATOM 368 CB THR A 49 34.127 -7.814 -0.664 1.00 0.00 ATOM 369 CG2 THR A 49 34.887 -9.106 -0.379 1.00 0.00 ATOM 370 OG1 THR A 49 32.718 -7.944 -0.680 1.00 0.00 ATOM 371 O THR A 49 33.233 -4.716 0.804 1.00 0.00 ATOM 372 C THR A 49 33.805 -5.324 -0.103 1.00 0.00 ATOM 373 N PRO A 50 33.830 -4.901 -1.377 1.00 0.00 ATOM 374 CA PRO A 50 33.254 -3.610 -1.768 1.00 0.00 ATOM 375 CB PRO A 50 33.412 -3.586 -3.272 1.00 0.00 ATOM 376 CG PRO A 50 34.651 -4.422 -3.571 1.00 0.00 ATOM 377 CD PRO A 50 34.562 -5.500 -2.516 1.00 0.00 ATOM 378 O PRO A 50 31.423 -2.371 -0.888 1.00 0.00 ATOM 379 C PRO A 50 31.779 -3.425 -1.400 1.00 0.00 ATOM 380 N GLU A 51 30.949 -4.431 -1.648 1.00 0.00 ATOM 381 CA GLU A 51 29.504 -4.306 -1.404 1.00 0.00 ATOM 382 CB GLU A 51 28.750 -5.541 -1.895 1.00 0.00 ATOM 383 CG GLU A 51 27.232 -5.403 -1.745 1.00 0.00 ATOM 384 CD GLU A 51 26.480 -6.662 -2.208 1.00 0.00 ATOM 385 OE1 GLU A 51 27.131 -7.607 -2.697 1.00 0.00 ATOM 386 OE2 GLU A 51 25.246 -6.700 -2.000 1.00 0.00 ATOM 387 O GLU A 51 28.450 -3.155 0.415 1.00 0.00 ATOM 388 C GLU A 51 29.194 -4.074 0.072 1.00 0.00 ATOM 389 N MET A 52 29.746 -4.924 0.947 1.00 0.00 ATOM 390 CA MET A 52 29.497 -4.767 2.375 1.00 0.00 ATOM 391 CB MET A 52 30.160 -5.795 3.196 1.00 0.00 ATOM 392 CG MET A 52 29.588 -7.167 2.880 1.00 0.00 ATOM 393 SD MET A 52 30.287 -8.475 3.886 1.00 0.00 ATOM 394 CE MET A 52 29.372 -8.255 5.361 1.00 0.00 ATOM 395 O MET A 52 29.373 -2.693 3.585 1.00 0.00 ATOM 396 C MET A 52 30.052 -3.429 2.864 1.00 0.00 ATOM 397 N ALA A 53 31.265 -3.074 2.404 1.00 0.00 ATOM 398 CA ALA A 53 31.894 -1.816 2.800 1.00 0.00 ATOM 399 CB ALA A 53 33.212 -1.688 2.049 1.00 0.00 ATOM 400 O ALA A 53 30.722 0.168 3.416 1.00 0.00 ATOM 401 C ALA A 53 30.958 -0.630 2.517 1.00 0.00 ATOM 402 N ILE A 54 30.258 -0.691 1.379 1.00 0.00 ATOM 403 CA ILE A 54 29.250 0.346 1.027 1.00 0.00 ATOM 404 CB ILE A 54 28.855 0.287 -0.443 1.00 0.00 ATOM 405 CG1 ILE A 54 30.063 0.645 -1.289 1.00 0.00 ATOM 406 CG2 ILE A 54 27.720 1.278 -0.751 1.00 0.00 ATOM 407 CD1 ILE A 54 29.829 0.331 -2.761 1.00 0.00 ATOM 408 O ILE A 54 27.434 1.239 2.306 1.00 0.00 ATOM 409 C ILE A 54 27.994 0.229 1.896 1.00 0.00 ATOM 410 N LYS A 55 27.485 -0.985 2.073 1.00 0.00 ATOM 411 CA LYS A 55 26.291 -1.181 2.913 1.00 0.00 ATOM 412 CB LYS A 55 25.940 -2.669 3.063 1.00 0.00 ATOM 413 CG LYS A 55 25.402 -3.267 1.770 1.00 0.00 ATOM 414 CD LYS A 55 25.052 -4.730 1.983 1.00 0.00 ATOM 415 CE LYS A 55 24.513 -5.291 0.673 1.00 0.00 ATOM 416 NZ LYS A 55 24.264 -6.729 0.801 1.00 0.00 ATOM 417 O LYS A 55 25.714 0.175 4.801 1.00 0.00 ATOM 418 C LYS A 55 26.518 -0.612 4.316 1.00 0.00 ATOM 419 N LEU A 56 27.726 -0.831 4.826 1.00 0.00 ATOM 420 CA LEU A 56 28.140 -0.361 6.166 1.00 0.00 ATOM 421 CB LEU A 56 29.540 -0.860 6.572 1.00 0.00 ATOM 422 CG LEU A 56 29.993 -2.314 6.359 1.00 0.00 ATOM 423 CD1 LEU A 56 30.875 -2.826 7.478 1.00 0.00 ATOM 424 CD2 LEU A 56 28.875 -3.321 6.258 1.00 0.00 ATOM 425 O LEU A 56 27.810 1.829 7.047 1.00 0.00 ATOM 426 C LEU A 56 28.296 1.142 6.157 1.00 0.00 ATOM 427 N SER A 57 28.985 1.712 5.147 1.00 0.00 ATOM 428 CA SER A 57 29.120 3.181 5.113 1.00 0.00 ATOM 429 CB SER A 57 30.072 3.551 3.983 1.00 0.00 ATOM 430 OG SER A 57 29.447 3.322 2.722 1.00 0.00 ATOM 431 O SER A 57 27.515 4.906 5.594 1.00 0.00 ATOM 432 C SER A 57 27.754 3.878 4.976 1.00 0.00 ATOM 433 N VAL A 58 26.875 3.326 4.142 1.00 0.00 ATOM 434 CA VAL A 58 25.540 3.883 3.931 1.00 0.00 ATOM 435 CB VAL A 58 24.793 3.057 2.885 1.00 0.00 ATOM 436 CG1 VAL A 58 23.332 3.425 2.844 1.00 0.00 ATOM 437 CG2 VAL A 58 25.439 3.294 1.534 1.00 0.00 ATOM 438 O VAL A 58 24.123 4.847 5.606 1.00 0.00 ATOM 439 C VAL A 58 24.751 3.859 5.230 1.00 0.00 ATOM 440 N VAL A 59 24.837 2.747 5.938 1.00 0.00 ATOM 441 CA VAL A 59 24.082 2.585 7.186 1.00 0.00 ATOM 442 CB VAL A 59 24.143 1.138 7.651 1.00 0.00 ATOM 443 CG1 VAL A 59 23.428 0.966 8.977 1.00 0.00 ATOM 444 CG2 VAL A 59 23.352 0.326 6.637 1.00 0.00 ATOM 445 O VAL A 59 23.765 3.962 9.135 1.00 0.00 ATOM 446 C VAL A 59 24.536 3.567 8.278 1.00 0.00 ATOM 447 N ILE A 60 25.798 3.955 8.198 1.00 0.00 ATOM 448 CA ILE A 60 26.395 4.918 9.142 1.00 0.00 ATOM 449 CB ILE A 60 27.848 4.595 9.450 1.00 0.00 ATOM 450 CG1 ILE A 60 28.715 4.705 8.201 1.00 0.00 ATOM 451 CG2 ILE A 60 27.961 3.185 10.002 1.00 0.00 ATOM 452 CD1 ILE A 60 30.205 4.793 8.480 1.00 0.00 ATOM 453 O ILE A 60 26.600 7.312 9.367 1.00 0.00 ATOM 454 C ILE A 60 26.274 6.367 8.647 1.00 0.00 ATOM 455 N GLY A 61 25.826 6.526 7.407 1.00 0.00 ATOM 456 CA GLY A 61 25.645 7.856 6.790 1.00 0.00 ATOM 457 O GLY A 61 27.109 9.722 6.429 1.00 0.00 ATOM 458 C GLY A 61 26.978 8.495 6.452 1.00 0.00 ATOM 459 N SER A 62 27.999 7.709 6.150 1.00 0.00 ATOM 460 CA SER A 62 29.319 8.236 5.868 1.00 0.00 ATOM 461 CB SER A 62 30.305 7.824 6.948 1.00 0.00 ATOM 462 OG SER A 62 31.636 8.235 6.651 1.00 0.00 ATOM 463 O SER A 62 29.548 6.607 4.124 1.00 0.00 ATOM 464 C SER A 62 29.775 7.757 4.499 1.00 0.00 ATOM 465 N SER A 63 30.353 8.669 3.731 1.00 0.00 ATOM 466 CA SER A 63 30.843 8.318 2.409 1.00 0.00 ATOM 467 CB SER A 63 31.301 9.586 1.676 1.00 0.00 ATOM 468 OG SER A 63 32.426 10.129 2.341 1.00 0.00 ATOM 469 O SER A 63 32.762 7.306 3.471 1.00 0.00 ATOM 470 C SER A 63 31.943 7.251 2.555 1.00 0.00 ATOM 471 N PRO A 64 32.004 6.334 1.597 1.00 0.00 ATOM 472 CA PRO A 64 33.065 5.314 1.561 1.00 0.00 ATOM 473 CB PRO A 64 32.709 4.549 0.302 1.00 0.00 ATOM 474 CG PRO A 64 31.188 4.611 0.249 1.00 0.00 ATOM 475 CD PRO A 64 30.959 6.068 0.574 1.00 0.00 ATOM 476 O PRO A 64 35.412 5.448 2.073 1.00 0.00 ATOM 477 C PRO A 64 34.440 5.962 1.523 1.00 0.00 ATOM 478 N GLN A 65 34.560 7.150 0.858 1.00 0.00 ATOM 479 CA GLN A 65 35.809 7.891 0.777 1.00 0.00 ATOM 480 CB GLN A 65 35.215 9.365 0.098 1.00 0.00 ATOM 481 CG GLN A 65 34.083 9.303 -0.914 1.00 0.00 ATOM 482 CD GLN A 65 33.902 10.611 -1.661 1.00 0.00 ATOM 483 OE1 GLN A 65 33.848 11.682 -1.057 1.00 0.00 ATOM 484 NE2 GLN A 65 33.803 10.531 -2.982 1.00 0.00 ATOM 485 O GLN A 65 37.391 8.179 2.523 1.00 0.00 ATOM 486 C GLN A 65 36.230 8.318 2.176 1.00 0.00 ATOM 487 N MET A 66 35.308 8.801 3.006 1.00 0.00 ATOM 488 CA MET A 66 35.645 9.198 4.370 1.00 0.00 ATOM 489 CB MET A 66 34.440 9.859 5.024 1.00 0.00 ATOM 490 CG MET A 66 34.174 11.232 4.402 1.00 0.00 ATOM 491 SD MET A 66 35.522 12.457 4.576 1.00 0.00 ATOM 492 CE MET A 66 35.495 12.664 6.340 1.00 0.00 ATOM 493 O MET A 66 36.926 8.099 6.079 1.00 0.00 ATOM 494 C MET A 66 36.040 7.996 5.230 1.00 0.00 ATOM 495 N TRP A 67 35.390 6.866 4.959 1.00 0.00 ATOM 496 CA TRP A 67 35.666 5.520 5.521 1.00 0.00 ATOM 497 CB TRP A 67 34.820 4.557 4.677 1.00 0.00 ATOM 498 CG TRP A 67 34.465 3.178 5.213 1.00 0.00 ATOM 499 CD1 TRP A 67 33.435 3.023 6.029 1.00 0.00 ATOM 500 CD2 TRP A 67 34.906 1.913 4.837 1.00 0.00 ATOM 501 CE2 TRP A 67 34.090 1.024 5.521 1.00 0.00 ATOM 502 CE3 TRP A 67 35.908 1.413 4.008 1.00 0.00 ATOM 503 NE1 TRP A 67 33.204 1.736 6.227 1.00 0.00 ATOM 504 CZ2 TRP A 67 34.284 -0.345 5.419 1.00 0.00 ATOM 505 CZ3 TRP A 67 36.104 0.044 3.895 1.00 0.00 ATOM 506 CH2 TRP A 67 35.295 -0.826 4.600 1.00 0.00 ATOM 507 O TRP A 67 37.878 4.819 6.159 1.00 0.00 ATOM 508 C TRP A 67 37.118 5.120 5.239 1.00 0.00 ATOM 509 N LEU A 68 37.527 5.217 3.987 1.00 0.00 ATOM 510 CA LEU A 68 38.889 4.860 3.609 1.00 0.00 ATOM 511 CB LEU A 68 38.908 4.698 2.038 1.00 0.00 ATOM 512 CG LEU A 68 38.281 3.467 1.383 1.00 0.00 ATOM 513 CD1 LEU A 68 38.187 3.711 -0.125 1.00 0.00 ATOM 514 CD2 LEU A 68 39.120 2.223 1.672 1.00 0.00 ATOM 515 O LEU A 68 41.039 5.525 4.479 1.00 0.00 ATOM 516 C LEU A 68 39.900 5.878 4.142 1.00 0.00 ATOM 517 N ASN A 69 39.520 7.172 4.200 1.00 0.00 ATOM 518 CA ASN A 69 40.435 8.185 4.745 1.00 0.00 ATOM 519 CB ASN A 69 39.824 9.586 4.666 1.00 0.00 ATOM 520 CG ASN A 69 39.789 10.051 3.221 1.00 0.00 ATOM 521 ND2 ASN A 69 38.931 10.998 2.956 1.00 0.00 ATOM 522 OD1 ASN A 69 40.457 9.503 2.362 1.00 0.00 ATOM 523 O ASN A 69 41.983 7.941 6.533 1.00 0.00 ATOM 524 C ASN A 69 40.800 7.939 6.190 1.00 0.00 ATOM 525 N LEU A 70 39.792 7.556 6.963 1.00 0.00 ATOM 526 CA LEU A 70 39.993 7.134 8.349 1.00 0.00 ATOM 527 CB LEU A 70 38.670 6.913 9.074 1.00 0.00 ATOM 528 CG LEU A 70 37.824 8.169 9.329 1.00 0.00 ATOM 529 CD1 LEU A 70 36.457 7.805 9.900 1.00 0.00 ATOM 530 CD2 LEU A 70 38.542 9.158 10.244 1.00 0.00 ATOM 531 O LEU A 70 41.719 5.767 9.315 1.00 0.00 ATOM 532 C LEU A 70 40.838 5.868 8.469 1.00 0.00 ATOM 533 N GLN A 71 40.599 4.917 7.568 1.00 0.00 ATOM 534 CA GLN A 71 41.390 3.660 7.505 1.00 0.00 ATOM 535 CB GLN A 71 40.813 2.771 6.407 1.00 0.00 ATOM 536 CG GLN A 71 41.567 1.451 6.297 1.00 0.00 ATOM 537 CD GLN A 71 41.052 0.583 5.165 1.00 0.00 ATOM 538 OE1 GLN A 71 40.156 0.884 4.396 1.00 0.00 ATOM 539 NE2 GLN A 71 41.629 -0.581 5.072 1.00 0.00 ATOM 540 O GLN A 71 43.744 3.378 7.844 1.00 0.00 ATOM 541 C GLN A 71 42.853 3.946 7.197 1.00 0.00 ATOM 542 N ASN A 72 43.088 4.867 6.264 1.00 0.00 ATOM 543 CA ASN A 72 44.459 5.315 5.953 1.00 0.00 ATOM 544 CB ASN A 72 44.473 6.276 4.765 1.00 0.00 ATOM 545 CG ASN A 72 44.445 5.491 3.463 1.00 0.00 ATOM 546 ND2 ASN A 72 43.797 6.087 2.502 1.00 0.00 ATOM 547 OD1 ASN A 72 44.958 4.393 3.289 1.00 0.00 ATOM 548 O ASN A 72 46.277 5.846 7.423 1.00 0.00 ATOM 549 C ASN A 72 45.090 6.013 7.155 1.00 0.00 ATOM 550 N ALA A 73 44.302 6.793 7.899 1.00 0.00 ATOM 551 CA ALA A 73 44.821 7.499 9.067 1.00 0.00 ATOM 552 CB ALA A 73 43.759 8.454 9.615 1.00 0.00 ATOM 553 O ALA A 73 46.299 6.693 10.785 1.00 0.00 ATOM 554 C ALA A 73 45.250 6.512 10.161 1.00 0.00 ATOM 555 N TRP A 74 44.443 5.446 10.377 1.00 0.00 ATOM 556 CA TRP A 74 44.766 4.406 11.356 1.00 0.00 ATOM 557 CB TRP A 74 43.624 3.393 11.454 1.00 0.00 ATOM 558 CG TRP A 74 43.876 2.368 12.573 1.00 0.00 ATOM 559 CD1 TRP A 74 43.547 2.555 13.847 1.00 0.00 ATOM 560 CD2 TRP A 74 44.506 1.131 12.491 1.00 0.00 ATOM 561 CE2 TRP A 74 44.494 0.595 13.768 1.00 0.00 ATOM 562 CE3 TRP A 74 45.120 0.421 11.469 1.00 0.00 ATOM 563 NE1 TRP A 74 43.944 1.503 14.561 1.00 0.00 ATOM 564 CZ2 TRP A 74 45.095 -0.639 14.006 1.00 0.00 ATOM 565 CZ3 TRP A 74 45.719 -0.815 11.706 1.00 0.00 ATOM 566 CH2 TRP A 74 45.695 -1.348 12.983 1.00 0.00 ATOM 567 O TRP A 74 46.949 3.480 11.795 1.00 0.00 ATOM 568 C TRP A 74 46.052 3.664 10.979 1.00 0.00 ATOM 569 N SER A 75 46.158 3.352 9.684 1.00 0.00 ATOM 570 CA SER A 75 47.367 2.718 9.148 1.00 0.00 ATOM 571 CB SER A 75 47.205 2.234 7.713 1.00 0.00 ATOM 572 OG SER A 75 46.901 3.270 6.791 1.00 0.00 ATOM 573 O SER A 75 49.684 3.184 9.539 1.00 0.00 ATOM 574 C SER A 75 48.578 3.644 9.252 1.00 0.00 ATOM 575 N LEU A 76 48.341 4.973 9.114 1.00 0.00 ATOM 576 CA LEU A 76 49.395 5.983 9.177 1.00 0.00 ATOM 577 CB LEU A 76 48.922 7.337 8.742 1.00 0.00 ATOM 578 CG LEU A 76 48.743 7.427 7.229 1.00 0.00 ATOM 579 CD1 LEU A 76 47.950 8.650 6.870 1.00 0.00 ATOM 580 CD2 LEU A 76 50.091 7.432 6.534 1.00 0.00 ATOM 581 O LEU A 76 51.146 6.182 10.812 1.00 0.00 ATOM 582 C LEU A 76 49.934 6.116 10.601 1.00 0.00 ATOM 583 N ALA A 77 49.024 6.177 11.545 1.00 0.00 ATOM 584 CA ALA A 77 49.407 6.296 12.946 1.00 0.00 ATOM 585 CB ALA A 77 48.125 6.518 13.737 1.00 0.00 ATOM 586 O ALA A 77 51.213 5.159 14.030 1.00 0.00 ATOM 587 C ALA A 77 50.155 5.046 13.405 1.00 0.00 ATOM 588 N GLU A 78 49.638 3.845 13.039 1.00 0.00 ATOM 589 CA GLU A 78 50.338 2.586 13.356 1.00 0.00 ATOM 590 CB GLU A 78 49.460 1.417 12.898 1.00 0.00 ATOM 591 CG GLU A 78 50.186 0.069 13.029 1.00 0.00 ATOM 592 CD GLU A 78 50.481 -0.303 14.495 1.00 0.00 ATOM 593 OE1 GLU A 78 49.871 0.284 15.416 1.00 0.00 ATOM 594 OE2 GLU A 78 51.327 -1.200 14.712 1.00 0.00 ATOM 595 O GLU A 78 52.701 2.122 13.295 1.00 0.00 ATOM 596 C GLU A 78 51.710 2.524 12.681 1.00 0.00 ATOM 597 N ALA A 79 51.749 2.959 11.436 1.00 0.00 ATOM 598 CA ALA A 79 52.996 2.943 10.680 1.00 0.00 ATOM 599 CB ALA A 79 52.798 3.337 9.239 1.00 0.00 ATOM 600 O ALA A 79 55.127 3.457 11.746 1.00 0.00 ATOM 601 C ALA A 79 54.056 3.905 11.318 1.00 0.00 ATOM 602 N GLU A 80 53.643 5.119 11.546 1.00 0.00 ATOM 603 CA GLU A 80 54.564 6.100 12.151 1.00 0.00 ATOM 604 CB GLU A 80 53.833 7.423 12.373 1.00 0.00 ATOM 605 CG GLU A 80 54.775 8.472 12.976 1.00 0.00 ATOM 606 CD GLU A 80 54.054 9.750 13.458 1.00 0.00 ATOM 607 OE1 GLU A 80 52.794 9.805 13.468 1.00 0.00 ATOM 608 OE2 GLU A 80 54.792 10.675 13.853 1.00 0.00 ATOM 609 O GLU A 80 56.339 5.759 13.754 1.00 0.00 ATOM 610 C GLU A 80 55.145 5.577 13.469 1.00 0.00 ATOM 611 N LYS A 81 54.314 4.930 14.257 1.00 0.00 ATOM 612 CA LYS A 81 54.744 4.316 15.517 1.00 0.00 ATOM 613 CB LYS A 81 53.651 3.685 16.280 1.00 0.00 ATOM 614 CG LYS A 81 52.842 4.724 17.040 1.00 0.00 ATOM 615 CD LYS A 81 51.622 4.124 17.757 1.00 0.00 ATOM 616 CE LYS A 81 50.580 5.223 18.137 1.00 0.00 ATOM 617 NZ LYS A 81 49.245 4.651 18.541 1.00 0.00 ATOM 618 O LYS A 81 56.688 3.002 16.000 1.00 0.00 ATOM 619 C LYS A 81 55.761 3.221 15.229 1.00 0.00 ATOM 620 N THR A 82 55.603 2.400 14.185 1.00 0.00 ATOM 621 CA THR A 82 56.430 1.257 13.895 1.00 0.00 ATOM 622 CB THR A 82 55.672 0.026 13.936 1.00 0.00 ATOM 623 CG2 THR A 82 55.303 -0.300 15.414 1.00 0.00 ATOM 624 OG1 THR A 82 54.440 0.174 13.221 1.00 0.00 ATOM 625 O THR A 82 58.306 1.811 12.480 1.00 0.00 ATOM 626 C THR A 82 57.149 1.377 12.535 1.00 0.00 ATOM 627 N VAL A 83 56.392 1.117 11.488 1.00 0.00 ATOM 628 CA VAL A 83 56.955 1.164 10.130 1.00 0.00 ATOM 629 CB VAL A 83 56.107 0.297 9.132 1.00 0.00 ATOM 630 CG1 VAL A 83 56.067 -1.159 9.607 1.00 0.00 ATOM 631 CG2 VAL A 83 54.699 0.864 9.016 1.00 0.00 ATOM 632 O VAL A 83 56.461 3.545 9.886 1.00 0.00 ATOM 633 C VAL A 83 57.166 2.575 9.610 1.00 0.00 ATOM 634 N ASP A 84 58.186 2.785 8.684 1.00 0.00 ATOM 635 CA ASP A 84 58.425 4.075 8.093 1.00 0.00 ATOM 636 CB ASP A 84 59.544 4.008 7.064 1.00 0.00 ATOM 637 CG ASP A 84 60.885 3.722 7.715 1.00 0.00 ATOM 638 OD1 ASP A 84 61.240 4.402 8.705 1.00 0.00 ATOM 639 OD2 ASP A 84 61.589 2.814 7.230 1.00 0.00 ATOM 640 O ASP A 84 56.400 3.688 6.823 1.00 0.00 ATOM 641 C ASP A 84 57.222 4.517 7.246 1.00 0.00 ATOM 642 N VAL A 85 57.127 5.812 6.993 1.00 0.00 ATOM 643 CA VAL A 85 56.010 6.350 6.194 1.00 0.00 ATOM 644 CB VAL A 85 56.061 7.870 6.088 1.00 0.00 ATOM 645 CG1 VAL A 85 55.020 8.386 5.107 1.00 0.00 ATOM 646 CG2 VAL A 85 55.789 8.447 7.459 1.00 0.00 ATOM 647 O VAL A 85 54.970 5.381 4.271 1.00 0.00 ATOM 648 C VAL A 85 56.023 5.766 4.792 1.00 0.00 ATOM 649 N SER A 86 57.186 5.691 4.153 1.00 0.00 ATOM 650 CA SER A 86 57.277 5.148 2.802 1.00 0.00 ATOM 651 CB SER A 86 58.687 5.253 2.234 1.00 0.00 ATOM 652 OG SER A 86 59.114 6.609 2.196 1.00 0.00 ATOM 653 O SER A 86 56.118 3.283 1.861 1.00 0.00 ATOM 654 C SER A 86 56.813 3.694 2.796 1.00 0.00 ATOM 655 N ARG A 87 57.193 2.897 3.799 1.00 0.00 ATOM 656 CA ARG A 87 56.785 1.483 3.849 1.00 0.00 ATOM 657 CB ARG A 87 57.388 0.869 5.101 1.00 0.00 ATOM 658 CG ARG A 87 57.137 -0.642 5.122 1.00 0.00 ATOM 659 CD ARG A 87 57.635 -1.210 6.440 1.00 0.00 ATOM 660 NE ARG A 87 59.058 -0.873 6.556 1.00 0.00 ATOM 661 CZ ARG A 87 59.694 -0.533 7.677 1.00 0.00 ATOM 662 NH1 ARG A 87 59.036 -0.434 8.814 1.00 0.00 ATOM 663 NH2 ARG A 87 60.998 -0.381 7.696 1.00 0.00 ATOM 664 O ARG A 87 54.720 0.476 3.253 1.00 0.00 ATOM 665 C ARG A 87 55.279 1.324 3.942 1.00 0.00 ATOM 666 N LEU A 88 54.685 2.170 4.765 1.00 0.00 ATOM 667 CA LEU A 88 53.227 2.157 4.911 1.00 0.00 ATOM 668 CB LEU A 88 52.782 3.169 5.944 1.00 0.00 ATOM 669 CG LEU A 88 51.271 3.065 6.135 1.00 0.00 ATOM 670 CD1 LEU A 88 50.819 1.802 6.869 1.00 0.00 ATOM 671 CD2 LEU A 88 50.830 4.339 6.801 1.00 0.00 ATOM 672 O LEU A 88 51.485 1.919 3.280 1.00 0.00 ATOM 673 C LEU A 88 52.555 2.454 3.571 1.00 0.00 ATOM 674 N ARG A 89 53.169 3.328 2.756 1.00 0.00 ATOM 675 CA ARG A 89 52.595 3.635 1.452 1.00 0.00 ATOM 676 CB ARG A 89 53.337 4.758 0.759 1.00 0.00 ATOM 677 CG ARG A 89 53.141 6.124 1.391 1.00 0.00 ATOM 678 CD ARG A 89 53.366 7.237 0.372 1.00 0.00 ATOM 679 NE ARG A 89 53.356 8.561 0.997 1.00 0.00 ATOM 680 CZ ARG A 89 54.401 9.051 1.666 1.00 0.00 ATOM 681 NH1 ARG A 89 55.523 8.349 1.793 1.00 0.00 ATOM 682 NH2 ARG A 89 54.337 10.251 2.216 1.00 0.00 ATOM 683 O ARG A 89 51.630 2.042 -0.041 1.00 0.00 ATOM 684 C ARG A 89 52.627 2.385 0.577 1.00 0.00 ATOM 685 N ARG A 90 53.733 1.629 0.649 1.00 0.00 ATOM 686 CA ARG A 90 53.846 0.379 -0.094 1.00 0.00 ATOM 687 CB ARG A 90 55.308 -0.045 -0.054 1.00 0.00 ATOM 688 CG ARG A 90 55.466 -1.302 -0.893 1.00 0.00 ATOM 689 CD ARG A 90 56.857 -1.903 -0.976 1.00 0.00 ATOM 690 NE ARG A 90 57.425 -1.943 0.367 1.00 0.00 ATOM 691 CZ ARG A 90 58.711 -2.023 0.603 1.00 0.00 ATOM 692 NH1 ARG A 90 59.599 -2.187 -0.361 1.00 0.00 ATOM 693 NH2 ARG A 90 59.099 -1.948 1.840 1.00 0.00 ATOM 694 O ARG A 90 52.209 -1.357 -0.309 1.00 0.00 ATOM 695 C ARG A 90 52.861 -0.646 0.455 1.00 0.00 ATOM 696 N LEU A 91 52.691 -0.696 1.797 1.00 0.00 ATOM 697 CA LEU A 91 51.768 -1.632 2.422 1.00 0.00 ATOM 698 CB LEU A 91 52.020 -1.623 3.930 1.00 0.00 ATOM 699 CG LEU A 91 51.138 -2.607 4.712 1.00 0.00 ATOM 700 CD1 LEU A 91 51.393 -4.068 4.370 1.00 0.00 ATOM 701 CD2 LEU A 91 51.414 -2.378 6.190 1.00 0.00 ATOM 702 O LEU A 91 49.543 -2.167 1.692 1.00 0.00 ATOM 703 C LEU A 91 50.318 -1.283 2.054 1.00 0.00 ATOM 704 N VAL A 92 49.934 0.008 2.123 1.00 0.00 ATOM 705 CA VAL A 92 48.577 0.426 1.760 1.00 0.00 ATOM 706 CB VAL A 92 48.349 1.921 2.054 1.00 0.00 ATOM 707 CG1 VAL A 92 46.975 2.412 1.591 1.00 0.00 ATOM 708 CG2 VAL A 92 48.459 2.237 3.546 1.00 0.00 ATOM 709 O VAL A 92 47.192 -0.276 -0.030 1.00 0.00 ATOM 710 C VAL A 92 48.290 0.141 0.284 1.00 0.00 ATOM 711 N THR A 93 49.302 0.312 -0.570 1.00 0.00 ATOM 712 CA THR A 93 49.165 0.032 -2.006 1.00 0.00 ATOM 713 CB THR A 93 50.442 0.490 -2.710 1.00 0.00 ATOM 714 CG2 THR A 93 50.325 0.322 -4.213 1.00 0.00 ATOM 715 OG1 THR A 93 50.547 1.901 -2.532 1.00 0.00 ATOM 716 O THR A 93 48.055 -1.808 -3.068 1.00 0.00 ATOM 717 C THR A 93 48.914 -1.455 -2.270 1.00 0.00 ATOM 718 N GLN A 94 49.681 -2.315 -1.608 1.00 0.00 ATOM 719 CA GLN A 94 49.514 -3.753 -1.799 1.00 0.00 ATOM 720 CB GLN A 94 50.597 -4.503 -1.033 1.00 0.00 ATOM 721 CG GLN A 94 50.435 -6.022 -1.202 1.00 0.00 ATOM 722 CD GLN A 94 50.630 -6.484 -2.637 1.00 0.00 ATOM 723 OE1 GLN A 94 51.403 -5.952 -3.423 1.00 0.00 ATOM 724 NE2 GLN A 94 50.030 -7.595 -2.951 1.00 0.00 ATOM 725 O GLN A 94 47.451 -4.941 -2.074 1.00 0.00 ATOM 726 C GLN A 94 48.107 -4.176 -1.364 1.00 0.00 ATOM 727 N SER A 95 47.670 -3.550 -0.201 1.00 0.00 ATOM 728 CA SER A 95 46.304 -3.799 0.299 1.00 0.00 ATOM 729 CB SER A 95 46.110 -3.321 1.731 1.00 0.00 ATOM 730 OG SER A 95 46.164 -1.908 1.849 1.00 0.00 ATOM 731 O SER A 95 44.048 -3.357 -0.357 1.00 0.00 ATOM 732 C SER A 95 45.232 -3.151 -0.579 1.00 0.00 ATOM 733 N THR A 96 45.619 -2.275 -1.485 1.00 0.00 ATOM 734 CA THR A 96 44.677 -1.621 -2.415 1.00 0.00 ATOM 735 CB THR A 96 45.382 -0.548 -3.247 1.00 0.00 ATOM 736 CG2 THR A 96 44.461 0.153 -4.242 1.00 0.00 ATOM 737 OG1 THR A 96 45.925 0.457 -2.388 1.00 0.00 ATOM 738 O THR A 96 44.772 -3.456 -3.949 1.00 0.00 ATOM 739 C THR A 96 44.065 -2.644 -3.364 1.00 0.00 ATOM 740 N PRO A 97 42.712 -2.652 -3.518 1.00 0.00 ATOM 741 CA PRO A 97 42.062 -3.609 -4.415 1.00 0.00 ATOM 742 CB PRO A 97 40.618 -3.121 -4.447 1.00 0.00 ATOM 743 CG PRO A 97 40.424 -2.603 -3.058 1.00 0.00 ATOM 744 CD PRO A 97 41.715 -1.827 -2.816 1.00 0.00 ATOM 745 O PRO A 97 43.614 -2.693 -6.005 1.00 0.00 ATOM 746 C PRO A 97 42.677 -3.506 -5.835 1.00 0.00 ENDMDL EXPDTA 2icpA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2icpA ATOM 1 N ARG 8 41.322 0.191 13.458 1.00 0.00 ATOM 2 CA ARG 8 40.777 1.489 13.949 1.00 0.00 ATOM 3 CB ARG 8 41.739 2.627 13.645 1.00 0.00 ATOM 4 CG ARG 8 41.347 3.923 14.328 1.00 0.00 ATOM 5 CD ARG 8 42.290 5.031 13.960 1.00 0.00 ATOM 6 NE ARG 8 43.679 4.606 14.077 1.00 0.00 ATOM 7 CZ ARG 8 44.673 5.214 13.456 1.00 0.00 ATOM 8 NH1 ARG 8 44.385 6.251 12.689 1.00 0.00 ATOM 9 NH2 ARG 8 45.923 4.787 13.590 1.00 0.00 ATOM 10 O ARG 8 38.558 2.386 14.043 1.00 0.00 ATOM 11 C ARG 8 39.409 1.829 13.356 1.00 0.00 ATOM 12 N PRO 9 39.180 1.511 12.072 1.00 0.00 ATOM 13 CA PRO 9 37.878 1.829 11.480 1.00 0.00 ATOM 14 CB PRO 9 37.938 1.111 10.135 1.00 0.00 ATOM 15 CG PRO 9 39.395 1.187 9.791 1.00 0.00 ATOM 16 CD PRO 9 40.021 0.784 11.102 1.00 0.00 ATOM 17 O PRO 9 35.711 2.053 12.483 1.00 0.00 ATOM 18 C PRO 9 36.717 1.358 12.344 1.00 0.00 ATOM 19 N GLY 10 36.869 0.177 12.931 1.00 0.00 ATOM 20 CA GLY 10 35.829 -0.365 13.784 1.00 0.00 ATOM 21 O GLY 10 34.389 0.618 15.425 1.00 0.00 ATOM 22 C GLY 10 35.534 0.541 14.961 1.00 0.00 ATOM 23 N ASP 11 36.564 1.227 15.454 1.00 0.00 ATOM 24 CA ASP 11 36.385 2.138 16.580 1.00 0.00 ATOM 25 CB ASP 11 37.736 2.653 17.087 1.00 0.00 ATOM 26 CG ASP 11 38.551 1.572 17.771 1.00 0.00 ATOM 27 OD1 ASP 11 38.004 0.896 18.665 1.00 0.00 ATOM 28 OD2 ASP 11 39.738 1.409 17.421 1.00 0.00 ATOM 29 O ASP 11 34.617 3.727 16.921 1.00 0.00 ATOM 30 C ASP 11 35.511 3.321 16.178 1.00 0.00 ATOM 31 N ILE 12 35.773 3.865 14.996 1.00 0.00 ATOM 32 CA ILE 12 34.998 5.001 14.506 1.00 0.00 ATOM 33 CB ILE 12 35.592 5.557 13.203 1.00 0.00 ATOM 34 CG1 ILE 12 37.038 6.000 13.445 1.00 0.00 ATOM 35 CG2 ILE 12 34.749 6.715 12.700 1.00 0.00 ATOM 36 CD1 ILE 12 37.204 6.957 14.613 1.00 0.00 ATOM 37 O ILE 12 32.624 5.358 14.533 1.00 0.00 ATOM 38 C ILE 12 33.549 4.589 14.263 1.00 0.00 ATOM 39 N ILE 13 33.355 3.377 13.752 1.00 0.00 ATOM 40 CA ILE 13 32.006 2.888 13.509 1.00 0.00 ATOM 41 CB ILE 13 32.005 1.497 12.833 1.00 0.00 ATOM 42 CG1 ILE 13 32.600 1.590 11.425 1.00 0.00 ATOM 43 CG2 ILE 13 30.582 0.948 12.779 1.00 0.00 ATOM 44 CD1 ILE 13 32.670 0.253 10.711 1.00 0.00 ATOM 45 O ILE 13 30.165 3.289 14.992 1.00 0.00 ATOM 46 C ILE 13 31.270 2.774 14.839 1.00 0.00 ATOM 47 N GLN 14 31.886 2.107 15.813 1.00 0.00 ATOM 48 CA GLN 14 31.235 1.947 17.111 1.00 0.00 ATOM 49 CB GLN 14 32.063 1.035 18.028 1.00 0.00 ATOM 50 CG GLN 14 31.418 0.791 19.391 1.00 0.00 ATOM 51 CD GLN 14 29.971 0.307 19.295 1.00 0.00 ATOM 52 OE1 GLN 14 29.695 -0.792 18.819 1.00 0.00 ATOM 53 NE2 GLN 14 29.046 1.135 19.749 1.00 0.00 ATOM 54 O GLN 14 29.973 3.463 18.475 1.00 0.00 ATOM 55 C GLN 14 30.982 3.292 17.791 1.00 0.00 ATOM 56 N GLU 15 31.887 4.248 17.605 1.00 0.00 ATOM 57 CA GLU 15 31.708 5.561 18.211 1.00 0.00 ATOM 58 CB GLU 15 32.948 6.434 17.999 1.00 0.00 ATOM 59 CG GLU 15 34.182 5.948 18.742 1.00 0.00 ATOM 60 CD GLU 15 35.382 6.847 18.526 1.00 0.00 ATOM 61 OE1 GLU 15 35.779 7.039 17.356 1.00 0.00 ATOM 62 OE2 GLU 15 35.929 7.362 19.523 1.00 0.00 ATOM 63 O GLU 15 29.733 6.925 18.282 1.00 0.00 ATOM 64 C GLU 15 30.488 6.240 17.595 1.00 0.00 ATOM 65 N SER 16 30.296 6.041 16.295 1.00 0.00 ATOM 66 CA SER 16 29.151 6.631 15.607 1.00 0.00 ATOM 67 CB SER 16 29.282 6.418 14.098 1.00 0.00 ATOM 68 OG SER 16 30.506 6.946 13.614 1.00 0.00 ATOM 69 O SER 16 26.858 6.661 16.345 1.00 0.00 ATOM 70 C SER 16 27.867 5.984 16.127 1.00 0.00 ATOM 71 N LEU 17 27.913 4.670 16.329 1.00 0.00 ATOM 72 CA LEU 17 26.767 3.932 16.835 1.00 0.00 ATOM 73 CB LEU 17 27.041 2.426 16.762 1.00 0.00 ATOM 74 CG LEU 17 27.215 1.860 15.346 1.00 0.00 ATOM 75 CD1 LEU 17 27.515 0.367 15.432 1.00 0.00 ATOM 76 CD2 LEU 17 25.943 2.108 14.523 1.00 0.00 ATOM 77 O LEU 17 25.248 4.437 18.634 1.00 0.00 ATOM 78 C LEU 17 26.424 4.336 18.276 1.00 0.00 ATOM 79 N ASP 18 27.445 4.561 19.100 1.00 0.00 ATOM 80 CA ASP 18 27.213 4.967 20.484 1.00 0.00 ATOM 81 CB ASP 18 28.534 5.128 21.244 1.00 0.00 ATOM 82 CG ASP 18 29.312 3.830 21.352 1.00 0.00 ATOM 83 OD1 ASP 18 28.677 2.774 21.562 1.00 0.00 ATOM 84 OD2 ASP 18 30.555 3.863 21.242 1.00 0.00 ATOM 85 O ASP 18 25.539 6.473 21.318 1.00 0.00 ATOM 86 C ASP 18 26.455 6.288 20.514 1.00 0.00 ATOM 87 N GLU 19 26.838 7.202 19.629 1.00 0.00 ATOM 88 CA GLU 19 26.190 8.503 19.563 1.00 0.00 ATOM 89 CB GLU 19 26.908 9.396 18.549 1.00 0.00 ATOM 90 CG GLU 19 26.491 10.850 18.633 1.00 0.00 ATOM 91 CD GLU 19 26.811 11.456 19.985 1.00 0.00 ATOM 92 OE1 GLU 19 28.005 11.700 20.260 1.00 0.00 ATOM 93 OE2 GLU 19 25.871 11.677 20.779 1.00 0.00 ATOM 94 O GLU 19 23.886 9.166 19.591 1.00 0.00 ATOM 95 C GLU 19 24.719 8.363 19.179 1.00 0.00 ATOM 96 N LEU 20 24.410 7.340 18.388 1.00 0.00 ATOM 97 CA LEU 20 23.038 7.092 17.946 1.00 0.00 ATOM 98 CB LEU 20 23.046 6.419 16.573 1.00 0.00 ATOM 99 CG LEU 20 23.650 7.196 15.402 1.00 0.00 ATOM 100 CD1 LEU 20 23.934 6.230 14.249 1.00 0.00 ATOM 101 CD2 LEU 20 22.697 8.305 14.973 1.00 0.00 ATOM 102 O LEU 20 21.054 6.036 18.782 1.00 0.00 ATOM 103 C LEU 20 22.270 6.198 18.913 1.00 0.00 ATOM 104 N ASN 21 22.977 5.614 19.876 1.00 0.00 ATOM 105 CA ASN 21 22.360 4.711 20.841 1.00 0.00 ATOM 106 CB ASN 21 21.157 5.373 21.525 1.00 0.00 ATOM 107 CG ASN 21 21.527 6.649 22.241 1.00 0.00 ATOM 108 ND2 ASN 21 20.837 7.734 21.918 1.00 0.00 ATOM 109 OD1 ASN 21 22.425 6.660 23.086 1.00 0.00 ATOM 110 O ASN 21 20.971 2.776 20.558 1.00 0.00 ATOM 111 C ASN 21 21.896 3.450 20.115 1.00 0.00 ATOM 112 N VAL 22 22.543 3.144 18.995 1.00 0.00 ATOM 113 CA VAL 22 22.199 1.971 18.199 1.00 0.00 ATOM 114 CB VAL 22 22.412 2.251 16.689 1.00 0.00 ATOM 115 CG1 VAL 22 22.362 0.947 15.896 1.00 0.00 ATOM 116 CG2 VAL 22 21.335 3.210 16.188 1.00 0.00 ATOM 117 O VAL 22 24.251 0.868 18.747 1.00 0.00 ATOM 118 C VAL 22 23.035 0.769 18.620 1.00 0.00 ATOM 119 N SER 23 22.377 -0.366 18.833 1.00 0.00 ATOM 120 CA SER 23 23.065 -1.582 19.254 1.00 0.00 ATOM 121 CB SER 23 22.114 -2.506 20.014 1.00 0.00 ATOM 122 OG SER 23 21.191 -3.111 19.121 1.00 0.00 ATOM 123 O SER 23 23.364 -2.044 16.922 1.00 0.00 ATOM 124 C SER 23 23.640 -2.349 18.082 1.00 0.00 ATOM 125 N LEU 24 24.432 -3.366 18.402 1.00 0.00 ATOM 126 CA LEU 24 25.059 -4.213 17.401 1.00 0.00 ATOM 127 CB LEU 24 25.907 -5.283 18.100 1.00 0.00 ATOM 128 CG LEU 24 26.648 -6.339 17.264 1.00 0.00 ATOM 129 CD1 LEU 24 25.679 -7.406 16.784 1.00 0.00 ATOM 130 CD2 LEU 24 27.359 -5.667 16.098 1.00 0.00 ATOM 131 O LEU 24 24.142 -4.810 15.265 1.00 0.00 ATOM 132 C LEU 24 24.020 -4.866 16.490 1.00 0.00 ATOM 133 N ARG 25 22.990 -5.471 17.077 1.00 0.00 ATOM 134 CA ARG 25 21.966 -6.131 16.275 1.00 0.00 ATOM 135 CB ARG 25 21.012 -6.913 17.175 1.00 0.00 ATOM 136 CG ARG 25 21.667 -8.138 17.772 1.00 0.00 ATOM 137 CD ARG 25 20.761 -8.884 18.723 1.00 0.00 ATOM 138 NE ARG 25 21.408 -10.108 19.186 1.00 0.00 ATOM 139 CZ ARG 25 20.963 -10.867 20.179 1.00 0.00 ATOM 140 NH1 ARG 25 19.858 -10.538 20.834 1.00 0.00 ATOM 141 NH2 ARG 25 21.626 -11.962 20.515 1.00 0.00 ATOM 142 O ARG 25 20.833 -5.513 14.249 1.00 0.00 ATOM 143 C ARG 25 21.190 -5.170 15.379 1.00 0.00 ATOM 144 N GLU 26 20.935 -3.966 15.874 1.00 0.00 ATOM 145 CA GLU 26 20.216 -2.979 15.087 1.00 0.00 ATOM 146 CB GLU 26 19.819 -1.802 15.978 1.00 0.00 ATOM 147 CG GLU 26 18.714 -2.160 16.956 1.00 0.00 ATOM 148 CD GLU 26 18.541 -1.141 18.064 1.00 0.00 ATOM 149 OE1 GLU 26 17.500 -1.190 18.742 1.00 0.00 ATOM 150 OE2 GLU 26 19.445 -0.301 18.261 1.00 0.00 ATOM 151 O GLU 26 20.632 -2.269 12.821 1.00 0.00 ATOM 152 C GLU 26 21.108 -2.523 13.933 1.00 0.00 ATOM 153 N PHE 27 22.408 -2.432 14.200 1.00 0.00 ATOM 154 CA PHE 27 23.379 -2.035 13.184 1.00 0.00 ATOM 155 CB PHE 27 24.755 -1.856 13.834 1.00 0.00 ATOM 156 CG PHE 27 25.876 -1.662 12.854 1.00 0.00 ATOM 157 CD1 PHE 27 25.826 -0.645 11.900 1.00 0.00 ATOM 158 CD2 PHE 27 27.000 -2.480 12.902 1.00 0.00 ATOM 159 CE1 PHE 27 26.882 -0.444 11.014 1.00 0.00 ATOM 160 CE2 PHE 27 28.063 -2.287 12.014 1.00 0.00 ATOM 161 CZ PHE 27 28.005 -1.266 11.071 1.00 0.00 ATOM 162 O PHE 27 23.378 -2.774 10.889 1.00 0.00 ATOM 163 C PHE 27 23.458 -3.093 12.080 1.00 0.00 ATOM 164 N ALA 28 23.613 -4.352 12.477 1.00 0.00 ATOM 165 CA ALA 28 23.707 -5.444 11.514 1.00 0.00 ATOM 166 CB ALA 28 23.924 -6.765 12.236 1.00 0.00 ATOM 167 O ALA 28 22.499 -5.739 9.455 1.00 0.00 ATOM 168 C ALA 28 22.441 -5.510 10.663 1.00 0.00 ATOM 169 N ARG 29 21.301 -5.292 11.306 1.00 0.00 ATOM 170 CA ARG 29 20.009 -5.325 10.631 1.00 0.00 ATOM 171 CB ARG 29 18.896 -5.105 11.653 1.00 0.00 ATOM 172 CG ARG 29 17.485 -5.195 11.108 1.00 0.00 ATOM 173 CD ARG 29 16.500 -4.914 12.225 1.00 0.00 ATOM 174 NE ARG 29 16.759 -5.774 13.376 1.00 0.00 ATOM 175 CZ ARG 29 16.435 -5.471 14.628 1.00 0.00 ATOM 176 NH1 ARG 29 15.834 -4.319 14.901 1.00 0.00 ATOM 177 NH2 ARG 29 16.720 -6.316 15.608 1.00 0.00 ATOM 178 O ARG 29 19.528 -4.570 8.405 1.00 0.00 ATOM 179 C ARG 29 19.920 -4.268 9.532 1.00 0.00 ATOM 180 N ALA 30 20.281 -3.031 9.867 1.00 0.00 ATOM 181 CA ALA 30 20.247 -1.929 8.908 1.00 0.00 ATOM 182 CB ALA 30 20.491 -0.603 9.629 1.00 0.00 ATOM 183 O ALA 30 21.038 -1.733 6.641 1.00 0.00 ATOM 184 C ALA 30 21.276 -2.114 7.792 1.00 0.00 ATOM 185 N MET 31 22.419 -2.699 8.134 1.00 0.00 ATOM 186 CA MET 31 23.493 -2.951 7.176 1.00 0.00 ATOM 187 CB MET 31 24.808 -3.225 7.915 1.00 0.00 ATOM 188 CG MET 31 25.420 -2.022 8.588 1.00 0.00 ATOM 189 SD MET 31 26.228 -0.841 7.309 1.00 0.00 ATOM 190 CE MET 31 27.756 -1.922 6.817 1.00 0.00 ATOM 191 O MET 31 23.835 -4.394 5.294 1.00 0.00 ATOM 192 C MET 31 23.179 -4.164 6.312 1.00 0.00 ATOM 193 N GLU 32 22.174 -4.930 6.721 1.00 0.00 ATOM 194 CA GLU 32 21.796 -6.141 6.012 1.00 0.00 ATOM 195 CB GLU 32 21.377 -5.823 4.563 1.00 0.00 ATOM 196 CG GLU 32 19.952 -5.289 4.441 1.00 0.00 ATOM 197 CD GLU 32 19.541 -4.986 3.006 1.00 0.00 ATOM 198 OE1 GLU 32 20.248 -5.420 2.073 1.00 0.00 ATOM 199 OE2 GLU 32 18.497 -4.318 2.819 1.00 0.00 ATOM 200 O GLU 32 23.343 -7.706 5.004 1.00 0.00 ATOM 201 C GLU 32 22.959 -7.139 6.032 1.00 0.00 ATOM 202 N ILE 33 23.532 -7.322 7.219 1.00 0.00 ATOM 203 CA ILE 33 24.621 -8.269 7.423 1.00 0.00 ATOM 204 CB ILE 33 25.997 -7.566 7.601 1.00 0.00 ATOM 205 CG1 ILE 33 25.947 -6.598 8.793 1.00 0.00 ATOM 206 CG2 ILE 33 26.380 -6.835 6.310 1.00 0.00 ATOM 207 CD1 ILE 33 27.264 -5.874 9.059 1.00 0.00 ATOM 208 O ILE 33 23.470 -8.661 9.497 1.00 0.00 ATOM 209 C ILE 33 24.309 -9.067 8.685 1.00 0.00 ATOM 210 N ALA 34 24.970 -10.209 8.842 1.00 0.00 ATOM 211 CA ALA 34 24.754 -11.055 10.007 1.00 0.00 ATOM 212 CB ALA 34 25.326 -12.453 9.758 1.00 0.00 ATOM 213 O ALA 34 26.383 -9.688 11.116 1.00 0.00 ATOM 214 C ALA 34 25.409 -10.427 11.232 1.00 0.00 ATOM 215 N PRO 35 24.871 -10.712 12.428 1.00 0.00 ATOM 216 CA PRO 35 25.405 -10.173 13.682 1.00 0.00 ATOM 217 CB PRO 35 24.578 -10.890 14.745 1.00 0.00 ATOM 218 CG PRO 35 23.262 -11.111 14.064 1.00 0.00 ATOM 219 CD PRO 35 23.671 -11.534 12.673 1.00 0.00 ATOM 220 O PRO 35 27.666 -9.558 14.251 1.00 0.00 ATOM 221 C PRO 35 26.902 -10.442 13.842 1.00 0.00 ATOM 222 N SER 36 27.314 -11.668 13.524 1.00 0.00 ATOM 223 CA SER 36 28.713 -12.066 13.641 1.00 0.00 ATOM 224 CB SER 36 28.865 -13.570 13.378 1.00 0.00 ATOM 225 OG SER 36 28.470 -13.908 12.057 1.00 0.00 ATOM 226 O SER 36 30.746 -10.962 13.029 1.00 0.00 ATOM 227 C SER 36 29.604 -11.276 12.693 1.00 0.00 ATOM 228 N THR 37 29.088 -10.956 11.507 1.00 0.00 ATOM 229 CA THR 37 29.851 -10.179 10.534 1.00 0.00 ATOM 230 CB THR 37 29.143 -10.127 9.162 1.00 0.00 ATOM 231 CG2 THR 37 29.859 -9.161 8.225 1.00 0.00 ATOM 232 OG1 THR 37 29.129 -11.434 8.584 1.00 0.00 ATOM 233 O THR 37 31.054 -8.130 10.893 1.00 0.00 ATOM 234 C THR 37 30.002 -8.749 11.048 1.00 0.00 ATOM 235 N ALA 38 28.940 -8.235 11.656 1.00 0.00 ATOM 236 CA ALA 38 28.949 -6.886 12.211 1.00 0.00 ATOM 237 CB ALA 38 27.575 -6.544 12.785 1.00 0.00 ATOM 238 O ALA 38 30.802 -5.850 13.335 1.00 0.00 ATOM 239 C ALA 38 30.011 -6.794 13.307 1.00 0.00 ATOM 240 N SER 39 30.018 -7.785 14.198 1.00 0.00 ATOM 241 CA SER 39 30.985 -7.830 15.296 1.00 0.00 ATOM 242 CB SER 39 30.736 -9.050 16.189 1.00 0.00 ATOM 243 OG SER 39 29.467 -8.984 16.812 1.00 0.00 ATOM 244 O SER 39 33.295 -7.197 15.284 1.00 0.00 ATOM 245 C SER 39 32.415 -7.886 14.772 1.00 0.00 ATOM 246 N ARG 40 32.642 -8.718 13.757 1.00 0.00 ATOM 247 CA ARG 40 33.969 -8.860 13.165 1.00 0.00 ATOM 248 CB ARG 40 33.968 -9.945 12.082 1.00 0.00 ATOM 249 CG ARG 40 33.958 -11.379 12.613 1.00 0.00 ATOM 250 CD ARG 40 34.216 -12.384 11.493 1.00 0.00 ATOM 251 NE ARG 40 33.076 -12.541 10.588 1.00 0.00 ATOM 252 CZ ARG 40 32.015 -13.300 10.845 1.00 0.00 ATOM 253 NH1 ARG 40 31.942 -13.979 11.982 1.00 0.00 ATOM 254 NH2 ARG 40 31.028 -13.386 9.963 1.00 0.00 ATOM 255 O ARG 40 35.613 -7.213 12.563 1.00 0.00 ATOM 256 C ARG 40 34.425 -7.538 12.561 1.00 0.00 ATOM 257 N LEU 41 33.471 -6.774 12.044 1.00 0.00 ATOM 258 CA LEU 41 33.773 -5.484 11.443 1.00 0.00 ATOM 259 CB LEU 41 32.552 -4.967 10.676 1.00 0.00 ATOM 260 CG LEU 41 32.728 -3.671 9.885 1.00 0.00 ATOM 261 CD1 LEU 41 33.766 -3.884 8.792 1.00 0.00 ATOM 262 CD2 LEU 41 31.396 -3.250 9.281 1.00 0.00 ATOM 263 O LEU 41 35.186 -3.817 12.445 1.00 0.00 ATOM 264 C LEU 41 34.160 -4.489 12.536 1.00 0.00 ATOM 265 N LEU 42 33.338 -4.410 13.578 1.00 0.00 ATOM 266 CA LEU 42 33.589 -3.497 14.690 1.00 0.00 ATOM 267 CB LEU 42 32.408 -3.527 15.664 1.00 0.00 ATOM 268 CG LEU 42 31.209 -2.602 15.407 1.00 0.00 ATOM 269 CD1 LEU 42 30.901 -2.506 13.924 1.00 0.00 ATOM 270 CD2 LEU 42 30.004 -3.127 16.176 1.00 0.00 ATOM 271 O LEU 42 35.540 -2.838 15.927 1.00 0.00 ATOM 272 C LEU 42 34.891 -3.771 15.453 1.00 0.00 ATOM 273 N THR 43 35.275 -5.040 15.574 1.00 0.00 ATOM 274 CA THR 43 36.494 -5.388 16.305 1.00 0.00 ATOM 275 CB THR 43 36.396 -6.793 16.934 1.00 0.00 ATOM 276 CG2 THR 43 35.276 -6.839 17.949 1.00 0.00 ATOM 277 OG1 THR 43 36.153 -7.767 15.911 1.00 0.00 ATOM 278 O THR 43 38.865 -5.464 15.954 1.00 0.00 ATOM 279 C THR 43 37.749 -5.334 15.444 1.00 0.00 ATOM 280 N GLY 44 37.574 -5.137 14.142 1.00 0.00 ATOM 281 CA GLY 44 38.718 -5.071 13.254 1.00 0.00 ATOM 282 O GLY 44 40.168 -6.570 12.081 1.00 0.00 ATOM 283 C GLY 44 39.160 -6.441 12.778 1.00 0.00 ATOM 284 N LYS 45 38.406 -7.470 13.150 1.00 0.00 ATOM 285 CA LYS 45 38.736 -8.830 12.747 1.00 0.00 ATOM 286 CB LYS 45 38.010 -9.835 13.645 1.00 0.00 ATOM 287 CG LYS 45 38.470 -9.787 15.094 1.00 0.00 ATOM 288 CD LYS 45 37.730 -10.796 15.958 1.00 0.00 ATOM 289 CE LYS 45 38.337 -10.882 17.354 1.00 0.00 ATOM 290 NZ LYS 45 38.351 -9.568 18.057 1.00 0.00 ATOM 291 O LYS 45 38.761 -10.079 10.695 1.00 0.00 ATOM 292 C LYS 45 38.377 -9.069 11.282 1.00 0.00 ATOM 293 N ALA 46 37.650 -8.126 10.695 1.00 0.00 ATOM 294 CA ALA 46 37.247 -8.225 9.295 1.00 0.00 ATOM 295 CB ALA 46 35.776 -8.604 9.202 1.00 0.00 ATOM 296 O ALA 46 36.923 -5.874 8.967 1.00 0.00 ATOM 297 C ALA 46 37.491 -6.896 8.590 1.00 0.00 ATOM 298 N ALA 47 38.335 -6.914 7.564 1.00 0.00 ATOM 299 CA ALA 47 38.649 -5.707 6.811 1.00 0.00 ATOM 300 CB ALA 47 39.614 -6.036 5.680 1.00 0.00 ATOM 301 O ALA 47 36.399 -5.709 5.962 1.00 0.00 ATOM 302 C ALA 47 37.392 -5.045 6.248 1.00 0.00 ATOM 303 N LEU 48 37.447 -3.728 6.095 1.00 0.00 ATOM 304 CA LEU 48 36.330 -2.960 5.561 1.00 0.00 ATOM 305 CB LEU 48 36.363 -1.539 6.138 1.00 0.00 ATOM 306 CG LEU 48 35.151 -0.619 6.002 1.00 0.00 ATOM 307 CD1 LEU 48 35.302 0.541 6.975 1.00 0.00 ATOM 308 CD2 LEU 48 35.015 -0.118 4.575 1.00 0.00 ATOM 309 O LEU 48 37.287 -2.187 3.493 1.00 0.00 ATOM 310 C LEU 48 36.469 -2.932 4.039 1.00 0.00 ATOM 311 N THR 49 35.673 -3.761 3.365 1.00 0.00 ATOM 312 CA THR 49 35.698 -3.863 1.908 1.00 0.00 ATOM 313 CB THR 49 35.109 -5.213 1.445 1.00 0.00 ATOM 314 CG2 THR 49 35.809 -6.368 2.146 1.00 0.00 ATOM 315 OG1 THR 49 33.708 -5.254 1.758 1.00 0.00 ATOM 316 O THR 49 34.172 -2.004 1.876 1.00 0.00 ATOM 317 C THR 49 34.911 -2.746 1.226 1.00 0.00 ATOM 318 N PRO 50 35.067 -2.605 -0.101 1.00 0.00 ATOM 319 CA PRO 50 34.339 -1.556 -0.822 1.00 0.00 ATOM 320 CB PRO 50 34.761 -1.782 -2.271 1.00 0.00 ATOM 321 CG PRO 50 36.183 -2.246 -2.114 1.00 0.00 ATOM 322 CD PRO 50 36.058 -3.251 -0.983 1.00 0.00 ATOM 323 O PRO 50 32.164 -0.629 -0.460 1.00 0.00 ATOM 324 C PRO 50 32.825 -1.647 -0.628 1.00 0.00 ATOM 325 N GLU 51 32.277 -2.860 -0.655 1.00 0.00 ATOM 326 CA GLU 51 30.839 -3.018 -0.464 1.00 0.00 ATOM 327 CB GLU 51 30.401 -4.476 -0.618 1.00 0.00 ATOM 328 CG GLU 51 28.906 -4.635 -0.390 1.00 0.00 ATOM 329 CD GLU 51 28.516 -6.006 0.109 1.00 0.00 ATOM 330 OE1 GLU 51 29.200 -6.526 1.018 1.00 0.00 ATOM 331 OE2 GLU 51 27.514 -6.555 -0.395 1.00 0.00 ATOM 332 O GLU 51 29.439 -1.841 1.095 1.00 0.00 ATOM 333 C GLU 51 30.445 -2.531 0.924 1.00 0.00 ATOM 334 N MET 52 31.240 -2.896 1.926 1.00 0.00 ATOM 335 CA MET 52 30.962 -2.467 3.291 1.00 0.00 ATOM 336 CB MET 52 31.928 -3.141 4.271 1.00 0.00 ATOM 337 CG MET 52 31.568 -4.583 4.558 1.00 0.00 ATOM 338 SD MET 52 29.898 -4.743 5.539 1.00 0.00 ATOM 339 CE MET 52 30.547 -5.782 7.029 1.00 0.00 ATOM 340 O MET 52 30.298 -0.334 4.140 1.00 0.00 ATOM 341 C MET 52 31.064 -0.950 3.411 1.00 0.00 ATOM 342 N ALA 53 32.006 -0.355 2.683 1.00 0.00 ATOM 343 CA ALA 53 32.184 1.095 2.714 1.00 0.00 ATOM 344 CB ALA 53 33.392 1.495 1.871 1.00 0.00 ATOM 345 O ALA 53 30.453 2.768 2.741 1.00 0.00 ATOM 346 C ALA 53 30.924 1.775 2.184 1.00 0.00 ATOM 347 N ILE 54 30.388 1.235 1.097 1.00 0.00 ATOM 348 CA ILE 54 29.169 1.784 0.506 1.00 0.00 ATOM 349 CB ILE 54 28.831 1.050 -0.809 1.00 0.00 ATOM 350 CG1 ILE 54 29.903 1.384 -1.855 1.00 0.00 ATOM 351 CG2 ILE 54 27.430 1.442 -1.294 1.00 0.00 ATOM 352 CD1 ILE 54 29.760 0.621 -3.146 1.00 0.00 ATOM 353 O ILE 54 27.245 2.627 1.687 1.00 0.00 ATOM 354 C ILE 54 27.998 1.668 1.485 1.00 0.00 ATOM 355 N LYS 55 27.848 0.497 2.098 1.00 0.00 ATOM 356 CA LYS 55 26.770 0.287 3.060 1.00 0.00 ATOM 357 CB LYS 55 26.774 -1.164 3.556 1.00 0.00 ATOM 358 CG LYS 55 26.225 -2.174 2.548 1.00 0.00 ATOM 359 CD LYS 55 25.985 -3.532 3.205 1.00 0.00 ATOM 360 CE LYS 55 25.063 -4.400 2.363 1.00 0.00 ATOM 361 NZ LYS 55 24.707 -5.674 3.047 1.00 0.00 ATOM 362 O LYS 55 25.852 1.792 4.694 1.00 0.00 ATOM 363 C LYS 55 26.860 1.242 4.254 1.00 0.00 ATOM 364 N LEU 56 28.072 1.426 4.778 1.00 0.00 ATOM 365 CA LEU 56 28.294 2.327 5.914 1.00 0.00 ATOM 366 CB LEU 56 29.765 2.281 6.353 1.00 0.00 ATOM 367 CG LEU 56 30.203 1.035 7.123 1.00 0.00 ATOM 368 CD1 LEU 56 31.716 0.970 7.194 1.00 0.00 ATOM 369 CD2 LEU 56 29.600 1.067 8.525 1.00 0.00 ATOM 370 O LEU 56 27.386 4.501 6.381 1.00 0.00 ATOM 371 C LEU 56 27.935 3.766 5.557 1.00 0.00 ATOM 372 N SER 57 28.264 4.166 4.330 1.00 0.00 ATOM 373 CA SER 57 27.971 5.514 3.864 1.00 0.00 ATOM 374 CB SER 57 28.520 5.730 2.449 1.00 0.00 ATOM 375 OG SER 57 28.110 6.988 1.942 1.00 0.00 ATOM 376 O SER 57 26.039 6.879 4.221 1.00 0.00 ATOM 377 C SER 57 26.472 5.787 3.865 1.00 0.00 ATOM 378 N VAL 58 25.686 4.797 3.465 1.00 0.00 ATOM 379 CA VAL 58 24.234 4.953 3.434 1.00 0.00 ATOM 380 CB VAL 58 23.567 3.902 2.514 1.00 0.00 ATOM 381 CG1 VAL 58 22.063 4.122 2.493 1.00 0.00 ATOM 382 CG2 VAL 58 24.137 3.993 1.110 1.00 0.00 ATOM 383 O VAL 58 22.784 5.629 5.240 1.00 0.00 ATOM 384 C VAL 58 23.606 4.806 4.820 1.00 0.00 ATOM 385 N VAL 59 24.000 3.753 5.527 1.00 0.00 ATOM 386 CA VAL 59 23.453 3.467 6.845 1.00 0.00 ATOM 387 CB VAL 59 23.764 2.008 7.252 1.00 0.00 ATOM 388 CG1 VAL 59 23.278 1.741 8.673 1.00 0.00 ATOM 389 CG2 VAL 59 23.086 1.054 6.277 1.00 0.00 ATOM 390 O VAL 59 23.079 4.873 8.750 1.00 0.00 ATOM 391 C VAL 59 23.902 4.412 7.962 1.00 0.00 ATOM 392 N ILE 60 25.196 4.699 8.038 1.00 0.00 ATOM 393 CA ILE 60 25.692 5.594 9.079 1.00 0.00 ATOM 394 CB ILE 60 27.027 5.068 9.685 1.00 0.00 ATOM 395 CG1 ILE 60 26.773 3.748 10.416 1.00 0.00 ATOM 396 CG2 ILE 60 27.604 6.095 10.647 1.00 0.00 ATOM 397 CD1 ILE 60 28.022 3.113 11.024 1.00 0.00 ATOM 398 O ILE 60 25.289 7.956 9.066 1.00 0.00 ATOM 399 C ILE 60 25.889 7.013 8.553 1.00 0.00 ATOM 400 N GLY 61 26.720 7.169 7.529 1.00 0.00 ATOM 401 CA GLY 61 26.945 8.497 6.984 1.00 0.00 ATOM 402 O GLY 61 29.045 7.698 6.178 1.00 0.00 ATOM 403 C GLY 61 28.297 8.661 6.319 1.00 0.00 ATOM 404 N SER 62 28.604 9.899 5.940 1.00 0.00 ATOM 405 CA SER 62 29.853 10.250 5.268 1.00 0.00 ATOM 406 CB SER 62 31.057 9.883 6.142 1.00 0.00 ATOM 407 OG SER 62 32.258 10.418 5.594 1.00 0.00 ATOM 408 O SER 62 28.933 8.996 3.448 1.00 0.00 ATOM 409 C SER 62 29.930 9.536 3.920 1.00 0.00 ATOM 410 N SER 63 31.105 9.541 3.295 1.00 0.00 ATOM 411 CA SER 63 31.290 8.908 1.991 1.00 0.00 ATOM 412 CB SER 63 32.132 9.812 1.095 1.00 0.00 ATOM 413 OG SER 63 33.434 9.941 1.633 1.00 0.00 ATOM 414 O SER 63 32.625 7.230 3.077 1.00 0.00 ATOM 415 C SER 63 31.969 7.546 2.078 1.00 0.00 ATOM 416 N PRO 64 31.832 6.721 1.027 1.00 0.00 ATOM 417 CA PRO 64 32.453 5.394 1.014 1.00 0.00 ATOM 418 CB PRO 64 32.036 4.830 -0.345 1.00 0.00 ATOM 419 CG PRO 64 30.730 5.515 -0.610 1.00 0.00 ATOM 420 CD PRO 64 31.017 6.928 -0.182 1.00 0.00 ATOM 421 O PRO 64 34.618 4.712 1.821 1.00 0.00 ATOM 422 C PRO 64 33.973 5.513 1.143 1.00 0.00 ATOM 423 N GLN 65 34.534 6.524 0.487 1.00 0.00 ATOM 424 CA GLN 65 35.976 6.749 0.522 1.00 0.00 ATOM 425 CB GLN 65 36.355 7.897 -0.415 1.00 0.00 ATOM 426 CG GLN 65 37.859 8.112 -0.565 1.00 0.00 ATOM 427 CD GLN 65 38.565 6.920 -1.189 1.00 0.00 ATOM 428 OE1 GLN 65 38.682 5.858 -0.576 1.00 0.00 ATOM 429 NE2 GLN 65 39.035 7.090 -2.420 1.00 0.00 ATOM 430 O GLN 65 37.518 6.590 2.349 1.00 0.00 ATOM 431 C GLN 65 36.459 7.060 1.935 1.00 0.00 ATOM 432 N MET 66 35.690 7.855 2.677 1.00 0.00 ATOM 433 CA MET 66 36.080 8.195 4.040 1.00 0.00 ATOM 434 CB MET 66 35.004 9.048 4.719 1.00 0.00 ATOM 435 CG MET 66 35.373 9.552 6.120 1.00 0.00 ATOM 436 SD MET 66 35.353 8.221 7.547 1.00 0.00 ATOM 437 CE MET 66 33.458 7.969 7.706 1.00 0.00 ATOM 438 O MET 66 37.329 6.743 5.482 1.00 0.00 ATOM 439 C MET 66 36.302 6.909 4.827 1.00 0.00 ATOM 440 N TRP 67 35.341 5.993 4.758 1.00 0.00 ATOM 441 CA TRP 67 35.463 4.728 5.472 1.00 0.00 ATOM 442 CB TRP 67 34.165 3.924 5.365 1.00 0.00 ATOM 443 CG TRP 67 33.007 4.562 6.070 1.00 0.00 ATOM 444 CD1 TRP 67 31.923 5.158 5.493 1.00 0.00 ATOM 445 CD2 TRP 67 32.825 4.684 7.488 1.00 0.00 ATOM 446 CE2 TRP 67 31.600 5.360 7.694 1.00 0.00 ATOM 447 CE3 TRP 67 33.575 4.279 8.603 1.00 0.00 ATOM 448 NE1 TRP 67 31.074 5.640 6.463 1.00 0.00 ATOM 449 CZ2 TRP 67 31.113 5.654 8.972 1.00 0.00 ATOM 450 CZ3 TRP 67 33.091 4.568 9.873 1.00 0.00 ATOM 451 CH2 TRP 67 31.866 5.247 10.048 1.00 0.00 ATOM 452 O TRP 67 37.346 3.272 5.729 1.00 0.00 ATOM 453 C TRP 67 36.627 3.888 4.949 1.00 0.00 ATOM 454 N LEU 68 36.812 3.855 3.633 1.00 0.00 ATOM 455 CA LEU 68 37.906 3.084 3.056 1.00 0.00 ATOM 456 CB LEU 68 37.794 3.030 1.533 1.00 0.00 ATOM 457 CG LEU 68 36.822 2.012 0.927 1.00 0.00 ATOM 458 CD1 LEU 68 37.009 1.983 -0.585 1.00 0.00 ATOM 459 CD2 LEU 68 37.086 0.624 1.517 1.00 0.00 ATOM 460 O LEU 68 40.213 2.912 3.688 1.00 0.00 ATOM 461 C LEU 68 39.265 3.658 3.446 1.00 0.00 ATOM 462 N ASN 69 39.358 4.982 3.506 1.00 0.00 ATOM 463 CA ASN 69 40.609 5.629 3.878 1.00 0.00 ATOM 464 CB ASN 69 40.511 7.139 3.663 1.00 0.00 ATOM 465 CG ASN 69 40.880 7.546 2.249 1.00 0.00 ATOM 466 ND2 ASN 69 41.779 8.514 2.132 1.00 0.00 ATOM 467 OD1 ASN 69 40.365 6.996 1.274 1.00 0.00 ATOM 468 O ASN 69 42.192 5.201 5.625 1.00 0.00 ATOM 469 C ASN 69 41.006 5.321 5.319 1.00 0.00 ATOM 470 N LEU 70 40.020 5.199 6.206 1.00 0.00 ATOM 471 CA LEU 70 40.313 4.863 7.597 1.00 0.00 ATOM 472 CB LEU 70 39.026 4.747 8.415 1.00 0.00 ATOM 473 CG LEU 70 38.542 5.974 9.183 1.00 0.00 ATOM 474 CD1 LEU 70 38.473 7.178 8.259 1.00 0.00 ATOM 475 CD2 LEU 70 37.181 5.665 9.788 1.00 0.00 ATOM 476 O LEU 70 41.986 3.296 8.314 1.00 0.00 ATOM 477 C LEU 70 41.013 3.514 7.588 1.00 0.00 ATOM 478 N GLN 71 40.494 2.617 6.757 1.00 0.00 ATOM 479 CA GLN 71 41.024 1.268 6.599 1.00 0.00 ATOM 480 CB GLN 71 40.105 0.464 5.672 1.00 0.00 ATOM 481 CG GLN 71 40.570 -0.949 5.338 1.00 0.00 ATOM 482 CD GLN 71 40.733 -1.821 6.567 1.00 0.00 ATOM 483 OE1 GLN 71 41.787 -1.830 7.202 1.00 0.00 ATOM 484 NE2 GLN 71 39.682 -2.553 6.913 1.00 0.00 ATOM 485 O GLN 71 43.357 0.711 6.517 1.00 0.00 ATOM 486 C GLN 71 42.429 1.337 6.010 1.00 0.00 ATOM 487 N ASN 72 42.579 2.108 4.938 1.00 0.00 ATOM 488 CA ASN 72 43.876 2.243 4.294 1.00 0.00 ATOM 489 CB ASN 72 43.747 3.074 3.017 1.00 0.00 ATOM 490 CG ASN 72 42.859 2.409 1.986 1.00 0.00 ATOM 491 ND2 ASN 72 42.360 3.194 1.034 1.00 0.00 ATOM 492 OD1 ASN 72 42.635 1.197 2.037 1.00 0.00 ATOM 493 O ASN 72 46.065 2.404 5.257 1.00 0.00 ATOM 494 C ASN 72 44.924 2.860 5.218 1.00 0.00 ATOM 495 N ALA 73 44.534 3.890 5.963 1.00 0.00 ATOM 496 CA ALA 73 45.461 4.557 6.872 1.00 0.00 ATOM 497 CB ALA 73 44.758 5.701 7.591 1.00 0.00 ATOM 498 O ALA 73 47.216 3.575 8.191 1.00 0.00 ATOM 499 C ALA 73 46.021 3.567 7.883 1.00 0.00 ATOM 500 N TRP 74 45.146 2.711 8.398 1.00 0.00 ATOM 501 CA TRP 74 45.549 1.714 9.375 1.00 0.00 ATOM 502 CB TRP 74 44.308 1.078 10.009 1.00 0.00 ATOM 503 CG TRP 74 44.626 -0.003 10.987 1.00 0.00 ATOM 504 CD1 TRP 74 44.707 -1.341 10.732 1.00 0.00 ATOM 505 CD2 TRP 74 44.957 0.164 12.371 1.00 0.00 ATOM 506 CE2 TRP 74 45.227 -1.120 12.893 1.00 0.00 ATOM 507 CE3 TRP 74 45.050 1.273 13.221 1.00 0.00 ATOM 508 NE1 TRP 74 45.068 -2.019 11.871 1.00 0.00 ATOM 509 CZ2 TRP 74 45.589 -1.327 14.229 1.00 0.00 ATOM 510 CZ3 TRP 74 45.412 1.069 14.552 1.00 0.00 ATOM 511 CH2 TRP 74 45.675 -0.224 15.042 1.00 0.00 ATOM 512 O TRP 74 47.446 0.244 9.284 1.00 0.00 ATOM 513 C TRP 74 46.427 0.648 8.724 1.00 0.00 ATOM 514 N SER 75 46.033 0.202 7.536 1.00 0.00 ATOM 515 CA SER 75 46.795 -0.811 6.813 1.00 0.00 ATOM 516 CB SER 75 46.007 -1.289 5.592 1.00 0.00 ATOM 517 OG SER 75 44.813 -1.931 5.994 1.00 0.00 ATOM 518 O SER 75 49.167 -0.985 6.489 1.00 0.00 ATOM 519 C SER 75 48.159 -0.287 6.372 1.00 0.00 ATOM 520 N LEU 76 48.187 0.939 5.858 1.00 0.00 ATOM 521 CA LEU 76 49.438 1.543 5.403 1.00 0.00 ATOM 522 CB LEU 76 49.162 2.858 4.668 1.00 0.00 ATOM 523 CG LEU 76 48.553 2.705 3.271 1.00 0.00 ATOM 524 CD1 LEU 76 48.008 4.040 2.779 1.00 0.00 ATOM 525 CD2 LEU 76 49.604 2.163 2.319 1.00 0.00 ATOM 526 O LEU 76 51.598 1.649 6.449 1.00 0.00 ATOM 527 C LEU 76 50.381 1.793 6.578 1.00 0.00 ATOM 528 N ALA 77 49.815 2.160 7.723 1.00 0.00 ATOM 529 CA ALA 77 50.611 2.421 8.916 1.00 0.00 ATOM 530 CB ALA 77 49.722 2.950 10.036 1.00 0.00 ATOM 531 O ALA 77 52.469 1.175 9.789 1.00 0.00 ATOM 532 C ALA 77 51.314 1.145 9.366 1.00 0.00 ATOM 533 N GLU 78 50.610 0.021 9.264 1.00 0.00 ATOM 534 CA GLU 78 51.160 -1.268 9.665 1.00 0.00 ATOM 535 CB GLU 78 50.031 -2.288 9.831 1.00 0.00 ATOM 536 CG GLU 78 48.974 -1.898 10.859 1.00 0.00 ATOM 537 CD GLU 78 49.512 -1.863 12.280 1.00 0.00 ATOM 538 OE1 GLU 78 48.734 -1.531 13.200 1.00 0.00 ATOM 539 OE2 GLU 78 50.708 -2.168 12.479 1.00 0.00 ATOM 540 O GLU 78 53.273 -2.235 9.047 1.00 0.00 ATOM 541 C GLU 78 52.184 -1.802 8.665 1.00 0.00 ATOM 542 N ALA 79 51.833 -1.761 7.384 1.00 0.00 ATOM 543 CA ALA 79 52.703 -2.262 6.326 1.00 0.00 ATOM 544 CB ALA 79 51.907 -2.418 5.041 1.00 0.00 ATOM 545 O ALA 79 54.958 -1.931 5.582 1.00 0.00 ATOM 546 C ALA 79 53.948 -1.418 6.063 1.00 0.00 ATOM 547 N GLU 80 53.876 -0.127 6.371 1.00 0.00 ATOM 548 CA GLU 80 55.001 0.778 6.148 1.00 0.00 ATOM 549 CB GLU 80 54.662 2.168 6.693 1.00 0.00 ATOM 550 CG GLU 80 55.698 3.242 6.397 1.00 0.00 ATOM 551 CD GLU 80 55.763 3.613 4.927 1.00 0.00 ATOM 552 OE1 GLU 80 54.737 4.067 4.376 1.00 0.00 ATOM 553 OE2 GLU 80 56.841 3.453 4.321 1.00 0.00 ATOM 554 O GLU 80 57.351 0.249 6.154 1.00 0.00 ATOM 555 C GLU 80 56.298 0.276 6.792 1.00 0.00 ATOM 556 N LYS 81 56.219 -0.127 8.054 1.00 0.00 ATOM 557 CA LYS 81 57.400 -0.594 8.768 1.00 0.00 ATOM 558 CB LYS 81 57.160 -0.503 10.278 1.00 0.00 ATOM 559 CG LYS 81 55.877 -1.162 10.746 1.00 0.00 ATOM 560 CD LYS 81 55.618 -0.864 12.213 1.00 0.00 ATOM 561 CE LYS 81 54.301 -1.459 12.676 1.00 0.00 ATOM 562 NZ LYS 81 53.984 -1.053 14.073 1.00 0.00 ATOM 563 O LYS 81 58.974 -2.404 8.751 1.00 0.00 ATOM 564 C LYS 81 57.864 -2.000 8.392 1.00 0.00 ATOM 565 N THR 82 57.026 -2.736 7.664 1.00 0.00 ATOM 566 CA THR 82 57.370 -4.096 7.246 1.00 0.00 ATOM 567 CB THR 82 56.148 -5.030 7.301 1.00 0.00 ATOM 568 CG2 THR 82 55.567 -5.063 8.705 1.00 0.00 ATOM 569 OG1 THR 82 55.148 -4.572 6.378 1.00 0.00 ATOM 570 O THR 82 58.453 -5.190 5.401 1.00 0.00 ATOM 571 C THR 82 57.951 -4.151 5.832 1.00 0.00 ATOM 572 N VAL 83 57.870 -3.042 5.104 1.00 0.00 ATOM 573 CA VAL 83 58.414 -2.992 3.750 1.00 0.00 ATOM 574 CB VAL 83 57.589 -2.040 2.838 1.00 0.00 ATOM 575 CG1 VAL 83 58.251 -1.918 1.467 1.00 0.00 ATOM 576 CG2 VAL 83 56.174 -2.580 2.674 1.00 0.00 ATOM 577 O VAL 83 60.215 -1.675 4.642 1.00 0.00 ATOM 578 C VAL 83 59.862 -2.517 3.811 1.00 0.00 ATOM 579 N ASP 84 60.707 -3.063 2.938 1.00 0.00 ATOM 580 CA ASP 84 62.114 -2.682 2.929 1.00 0.00 ATOM 581 CB ASP 84 62.970 -3.821 2.351 1.00 0.00 ATOM 582 CG ASP 84 62.696 -4.079 0.872 1.00 0.00 ATOM 583 OD1 ASP 84 61.559 -3.841 0.410 1.00 0.00 ATOM 584 OD2 ASP 84 63.621 -4.543 0.176 1.00 0.00 ATOM 585 O ASP 84 63.120 -1.353 1.208 1.00 0.00 ATOM 586 C ASP 84 62.316 -1.405 2.133 1.00 0.00 ATOM 587 N VAL 85 61.569 -0.372 2.512 1.00 0.00 ATOM 588 CA VAL 85 61.638 0.926 1.862 1.00 0.00 ATOM 589 CB VAL 85 60.723 1.945 2.591 1.00 0.00 ATOM 590 CG1 VAL 85 60.888 3.335 1.992 1.00 0.00 ATOM 591 CG2 VAL 85 59.263 1.496 2.490 1.00 0.00 ATOM 592 O VAL 85 63.462 2.144 0.861 1.00 0.00 ATOM 593 C VAL 85 63.074 1.463 1.815 1.00 0.00 ATOM 594 N SER 86 63.863 1.145 2.840 1.00 0.00 ATOM 595 CA SER 86 65.245 1.614 2.915 1.00 0.00 ATOM 596 CB SER 86 65.921 1.087 4.190 1.00 0.00 ATOM 597 OG SER 86 66.030 -0.325 4.152 1.00 0.00 ATOM 598 O SER 86 67.030 1.950 1.344 1.00 0.00 ATOM 599 C SER 86 66.093 1.231 1.705 1.00 0.00 ATOM 600 N ARG 87 65.779 0.104 1.069 1.00 0.00 ATOM 601 CA ARG 87 66.561 -0.300 -0.094 1.00 0.00 ATOM 602 CB ARG 87 67.001 -1.769 0.016 1.00 0.00 ATOM 603 CG ARG 87 65.992 -2.735 0.598 1.00 0.00 ATOM 604 CD ARG 87 66.572 -4.152 0.635 1.00 0.00 ATOM 605 NE ARG 87 66.517 -4.798 -0.679 1.00 0.00 ATOM 606 CZ ARG 87 67.557 -5.351 -1.298 1.00 0.00 ATOM 607 NH1 ARG 87 68.755 -5.345 -0.729 1.00 0.00 ATOM 608 NH2 ARG 87 67.397 -5.910 -2.491 1.00 0.00 ATOM 609 O ARG 87 66.527 -0.244 -2.482 1.00 0.00 ATOM 610 C ARG 87 65.902 -0.048 -1.446 1.00 0.00 ATOM 611 N LEU 88 64.648 0.386 -1.444 1.00 0.00 ATOM 612 CA LEU 88 63.967 0.662 -2.709 1.00 0.00 ATOM 613 CB LEU 88 62.451 0.635 -2.518 1.00 0.00 ATOM 614 CG LEU 88 61.890 -0.669 -1.953 1.00 0.00 ATOM 615 CD1 LEU 88 60.393 -0.506 -1.735 1.00 0.00 ATOM 616 CD2 LEU 88 62.183 -1.834 -2.882 1.00 0.00 ATOM 617 O LEU 88 64.701 2.930 -2.441 1.00 0.00 ATOM 618 C LEU 88 64.414 2.021 -3.225 1.00 0.00 ATOM 619 N ARG 89 64.478 2.153 -4.546 1.00 0.00 ATOM 620 CA ARG 89 64.921 3.389 -5.165 1.00 0.00 ATOM 621 CB ARG 89 66.286 3.171 -5.825 1.00 0.00 ATOM 622 CG ARG 89 67.385 2.780 -4.845 1.00 0.00 ATOM 623 CD ARG 89 67.775 3.956 -3.963 1.00 0.00 ATOM 624 NE ARG 89 68.754 3.580 -2.946 1.00 0.00 ATOM 625 CZ ARG 89 68.458 2.940 -1.819 1.00 0.00 ATOM 626 NH1 ARG 89 67.205 2.601 -1.547 1.00 0.00 ATOM 627 NH2 ARG 89 69.422 2.635 -0.961 1.00 0.00 ATOM 628 O ARG 89 63.186 3.143 -6.800 1.00 0.00 ATOM 629 C ARG 89 63.942 3.907 -6.211 1.00 0.00 ATOM 630 N ARG 90 63.991 5.214 -6.433 1.00 0.00 ATOM 631 CA ARG 90 63.136 5.886 -7.399 1.00 0.00 ATOM 632 CB ARG 90 63.156 7.402 -7.139 1.00 0.00 ATOM 633 CG ARG 90 62.357 8.269 -8.126 1.00 0.00 ATOM 634 CD ARG 90 60.876 7.902 -8.157 1.00 0.00 ATOM 635 NE ARG 90 60.270 7.828 -6.828 1.00 0.00 ATOM 636 CZ ARG 90 59.809 8.871 -6.143 1.00 0.00 ATOM 637 NH1 ARG 90 59.876 10.096 -6.648 1.00 0.00 ATOM 638 NH2 ARG 90 59.258 8.684 -4.951 1.00 0.00 ATOM 639 O ARG 90 64.829 5.701 -9.091 1.00 0.00 ATOM 640 C ARG 90 63.634 5.585 -8.808 1.00 0.00 ATOM 641 N LEU 91 62.708 5.197 -9.683 1.00 0.00 ATOM 642 CA LEU 91 63.042 4.898 -11.073 1.00 0.00 ATOM 643 CB LEU 91 61.815 4.351 -11.807 1.00 0.00 ATOM 644 CG LEU 91 61.369 2.923 -11.501 1.00 0.00 ATOM 645 CD1 LEU 91 59.991 2.685 -12.094 1.00 0.00 ATOM 646 CD2 LEU 91 62.382 1.929 -12.060 1.00 0.00 ATOM 647 O LEU 91 62.980 7.251 -11.563 1.00 0.00 ATOM 648 C LEU 91 63.517 6.163 -11.780 1.00 0.00 ATOM 649 N VAL 92 64.524 6.015 -12.629 1.00 0.00 ATOM 650 CA VAL 92 65.053 7.149 -13.375 1.00 0.00 ATOM 651 CB VAL 92 66.591 7.210 -13.272 1.00 0.00 ATOM 652 CG1 VAL 92 67.110 8.448 -13.971 1.00 0.00 ATOM 653 CG2 VAL 92 67.013 7.215 -11.807 1.00 0.00 ATOM 654 O VAL 92 64.476 5.871 -15.321 1.00 0.00 ATOM 655 C VAL 92 64.653 6.991 -14.838 1.00 0.00 ATOM 656 N THR 93 64.494 8.110 -15.534 1.00 0.00 ATOM 657 CA THR 93 64.124 8.060 -16.943 1.00 0.00 ATOM 658 CB THR 93 63.959 9.476 -17.525 1.00 0.00 ATOM 659 CG2 THR 93 63.585 9.405 -18.998 1.00 0.00 ATOM 660 OG1 THR 93 62.926 10.167 -16.811 1.00 0.00 ATOM 661 O THR 93 66.393 7.640 -17.622 1.00 0.00 ATOM 662 C THR 93 65.208 7.315 -17.722 1.00 0.00 ATOM 663 N GLN 94 64.795 6.309 -18.487 1.00 0.00 ATOM 664 CA GLN 94 65.723 5.503 -19.278 1.00 0.00 ATOM 665 CB GLN 94 65.327 4.025 -19.207 1.00 0.00 ATOM 666 CG GLN 94 65.300 3.467 -17.791 1.00 0.00 ATOM 667 CD GLN 94 66.623 3.647 -17.074 1.00 0.00 ATOM 668 OE1 GLN 94 67.648 3.109 -17.493 1.00 0.00 ATOM 669 NE2 GLN 94 66.610 4.412 -15.988 1.00 0.00 ATOM 670 O GLN 94 66.882 5.794 -21.345 1.00 0.00 ATOM 671 C GLN 94 65.796 5.944 -20.739 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1984535034.pdb -s /var/tmp/to_scwrl_1984535034.seq -o /var/tmp/from_scwrl_1984535034.pdb > /var/tmp/scwrl_1984535034.log sh: /var/tmp/scwrl_1984535034.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1984535034.pdb or /var/tmp/from_scwrl_1984535034.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1984535034_b.pdb or /var/tmp/from_scwrl_1984535034_b.pdb.gz for input Trying /var/tmp/from_scwrl_1984535034_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1984535034_b.pdb or /var/tmp/from_scwrl_1984535034_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1984535034_a.pdb or /var/tmp/from_scwrl_1984535034_a.pdb.gz for input Trying /var/tmp/from_scwrl_1984535034_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1984535034_a.pdb or /var/tmp/from_scwrl_1984535034_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1984535034.pdb or /var/tmp/from_scwrl_1984535034_b.pdb or /var/tmp/from_scwrl_1984535034_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 # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -67.241 # GDT_score(maxd=8.000,maxw=2.900)= -68.043 # GDT_score(maxd=8.000,maxw=3.200)= -65.756 # GDT_score(maxd=8.000,maxw=3.500)= -63.131 # GDT_score(maxd=10.000,maxw=3.800)= -65.766 # GDT_score(maxd=10.000,maxw=4.000)= -63.939 # GDT_score(maxd=10.000,maxw=4.200)= -62.150 # GDT_score(maxd=12.000,maxw=4.300)= -65.529 # GDT_score(maxd=12.000,maxw=4.500)= -63.755 # GDT_score(maxd=12.000,maxw=4.700)= -62.002 # GDT_score(maxd=14.000,maxw=5.200)= -61.159 # GDT_score(maxd=14.000,maxw=5.500)= -58.600 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1890117487.pdb -s /var/tmp/to_scwrl_1890117487.seq -o /var/tmp/from_scwrl_1890117487.pdb > /var/tmp/scwrl_1890117487.log sh: /var/tmp/scwrl_1890117487.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1890117487.pdb or /var/tmp/from_scwrl_1890117487.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1890117487_b.pdb or /var/tmp/from_scwrl_1890117487_b.pdb.gz for input Trying /var/tmp/from_scwrl_1890117487_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1890117487_b.pdb or /var/tmp/from_scwrl_1890117487_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1890117487_a.pdb or /var/tmp/from_scwrl_1890117487_a.pdb.gz for input Trying /var/tmp/from_scwrl_1890117487_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1890117487_a.pdb or /var/tmp/from_scwrl_1890117487_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1890117487.pdb or /var/tmp/from_scwrl_1890117487_b.pdb or /var/tmp/from_scwrl_1890117487_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 95 # 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 = -66.954 # GDT_score(maxd=8.000,maxw=2.900)= -68.271 # GDT_score(maxd=8.000,maxw=3.200)= -65.782 # GDT_score(maxd=8.000,maxw=3.500)= -62.816 # GDT_score(maxd=10.000,maxw=3.800)= -65.303 # GDT_score(maxd=10.000,maxw=4.000)= -63.430 # GDT_score(maxd=10.000,maxw=4.200)= -61.617 # GDT_score(maxd=12.000,maxw=4.300)= -64.786 # GDT_score(maxd=12.000,maxw=4.500)= -62.998 # GDT_score(maxd=12.000,maxw=4.700)= -61.121 # GDT_score(maxd=14.000,maxw=5.200)= -60.016 # GDT_score(maxd=14.000,maxw=5.500)= -57.393 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_215691988.pdb -s /var/tmp/to_scwrl_215691988.seq -o /var/tmp/from_scwrl_215691988.pdb > /var/tmp/scwrl_215691988.log sh: /var/tmp/scwrl_215691988.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_215691988.pdb or /var/tmp/from_scwrl_215691988.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_215691988_b.pdb or /var/tmp/from_scwrl_215691988_b.pdb.gz for input Trying /var/tmp/from_scwrl_215691988_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_215691988_b.pdb or /var/tmp/from_scwrl_215691988_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_215691988_a.pdb or /var/tmp/from_scwrl_215691988_a.pdb.gz for input Trying /var/tmp/from_scwrl_215691988_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_215691988_a.pdb or /var/tmp/from_scwrl_215691988_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_215691988.pdb or /var/tmp/from_scwrl_215691988_b.pdb or /var/tmp/from_scwrl_215691988_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 91 # 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 = -65.230 # GDT_score(maxd=8.000,maxw=2.900)= -67.328 # GDT_score(maxd=8.000,maxw=3.200)= -65.145 # GDT_score(maxd=8.000,maxw=3.500)= -62.447 # GDT_score(maxd=10.000,maxw=3.800)= -64.776 # GDT_score(maxd=10.000,maxw=4.000)= -62.984 # GDT_score(maxd=10.000,maxw=4.200)= -61.209 # GDT_score(maxd=12.000,maxw=4.300)= -64.465 # GDT_score(maxd=12.000,maxw=4.500)= -62.719 # GDT_score(maxd=12.000,maxw=4.700)= -61.010 # GDT_score(maxd=14.000,maxw=5.200)= -60.203 # GDT_score(maxd=14.000,maxw=5.500)= -57.727 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_354279708.pdb -s /var/tmp/to_scwrl_354279708.seq -o /var/tmp/from_scwrl_354279708.pdb > /var/tmp/scwrl_354279708.log sh: /var/tmp/scwrl_354279708.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_354279708.pdb or /var/tmp/from_scwrl_354279708.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_354279708_b.pdb or /var/tmp/from_scwrl_354279708_b.pdb.gz for input Trying /var/tmp/from_scwrl_354279708_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_354279708_b.pdb or /var/tmp/from_scwrl_354279708_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_354279708_a.pdb or /var/tmp/from_scwrl_354279708_a.pdb.gz for input Trying /var/tmp/from_scwrl_354279708_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_354279708_a.pdb or /var/tmp/from_scwrl_354279708_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_354279708.pdb or /var/tmp/from_scwrl_354279708_b.pdb or /var/tmp/from_scwrl_354279708_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 95 # 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 = -67.529 # GDT_score(maxd=8.000,maxw=2.900)= -67.995 # GDT_score(maxd=8.000,maxw=3.200)= -65.753 # GDT_score(maxd=8.000,maxw=3.500)= -62.984 # GDT_score(maxd=10.000,maxw=3.800)= -65.690 # GDT_score(maxd=10.000,maxw=4.000)= -63.857 # GDT_score(maxd=10.000,maxw=4.200)= -62.045 # GDT_score(maxd=12.000,maxw=4.300)= -65.517 # GDT_score(maxd=12.000,maxw=4.500)= -63.724 # GDT_score(maxd=12.000,maxw=4.700)= -61.973 # GDT_score(maxd=14.000,maxw=5.200)= -61.121 # GDT_score(maxd=14.000,maxw=5.500)= -58.592 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1526280997.pdb -s /var/tmp/to_scwrl_1526280997.seq -o /var/tmp/from_scwrl_1526280997.pdb > /var/tmp/scwrl_1526280997.log sh: /var/tmp/scwrl_1526280997.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1526280997.pdb or /var/tmp/from_scwrl_1526280997.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1526280997_b.pdb or /var/tmp/from_scwrl_1526280997_b.pdb.gz for input Trying /var/tmp/from_scwrl_1526280997_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1526280997_b.pdb or /var/tmp/from_scwrl_1526280997_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1526280997_a.pdb or /var/tmp/from_scwrl_1526280997_a.pdb.gz for input Trying /var/tmp/from_scwrl_1526280997_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1526280997_a.pdb or /var/tmp/from_scwrl_1526280997_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1526280997.pdb or /var/tmp/from_scwrl_1526280997_b.pdb or /var/tmp/from_scwrl_1526280997_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 T0311.try1-opt2.pdb looking for model 1 # Found a chain break before 95 # 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 = -66.092 # GDT_score(maxd=8.000,maxw=2.900)= -67.412 # GDT_score(maxd=8.000,maxw=3.200)= -64.969 # GDT_score(maxd=8.000,maxw=3.500)= -62.072 # GDT_score(maxd=10.000,maxw=3.800)= -64.520 # GDT_score(maxd=10.000,maxw=4.000)= -62.704 # GDT_score(maxd=10.000,maxw=4.200)= -60.944 # GDT_score(maxd=12.000,maxw=4.300)= -64.150 # GDT_score(maxd=12.000,maxw=4.500)= -62.416 # GDT_score(maxd=12.000,maxw=4.700)= -60.701 # GDT_score(maxd=14.000,maxw=5.200)= -59.844 # GDT_score(maxd=14.000,maxw=5.500)= -57.342 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0311.try1-real.pdb for output Error: Couldn't open file T0311.try1-real.pdb for output superimposing iter= 0 total_weight= 1019 rmsd (weighted)= 9.26377 (unweighted)= 15.006 superimposing iter= 1 total_weight= 2770.66 rmsd (weighted)= 3.55711 (unweighted)= 15.2878 superimposing iter= 2 total_weight= 1625.13 rmsd (weighted)= 2.1258 (unweighted)= 15.5592 superimposing iter= 3 total_weight= 1044.99 rmsd (weighted)= 1.65535 (unweighted)= 15.696 superimposing iter= 4 total_weight= 828.895 rmsd (weighted)= 1.4576 (unweighted)= 15.8088 superimposing iter= 5 total_weight= 759.925 rmsd (weighted)= 1.34 (unweighted)= 15.9285 EXPDTA T0311.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0311.try1-opt2.pdb ATOM 1 N MET A 1 50.305 -2.685 6.976 1.00 0.00 ATOM 2 CA MET A 1 49.882 -3.412 8.153 1.00 0.00 ATOM 3 CB MET A 1 50.260 -2.658 9.425 1.00 0.00 ATOM 4 CG MET A 1 49.463 -3.091 10.637 1.00 0.00 ATOM 5 SD MET A 1 49.623 -4.829 11.097 1.00 0.00 ATOM 6 CE MET A 1 49.429 -4.600 12.895 1.00 0.00 ATOM 7 O MET A 1 47.599 -2.737 8.305 1.00 0.00 ATOM 8 C MET A 1 48.376 -3.630 7.995 1.00 0.00 ATOM 9 N LYS A 2 47.985 -4.783 7.440 1.00 0.00 ATOM 10 CA LYS A 2 46.578 -5.092 7.196 1.00 0.00 ATOM 11 CB LYS A 2 46.432 -6.486 6.585 1.00 0.00 ATOM 12 CG LYS A 2 46.921 -6.589 5.148 1.00 0.00 ATOM 13 CD LYS A 2 46.746 -7.998 4.606 1.00 0.00 ATOM 14 CE LYS A 2 47.256 -8.107 3.178 1.00 0.00 ATOM 15 NZ LYS A 2 47.121 -9.490 2.643 1.00 0.00 ATOM 16 O LYS A 2 44.619 -4.575 8.497 1.00 0.00 ATOM 17 C LYS A 2 45.747 -5.087 8.477 1.00 0.00 ATOM 18 N MET A 3 46.377 -5.696 9.625 1.00 0.00 ATOM 19 CA MET A 3 45.720 -5.760 10.922 1.00 0.00 ATOM 20 CB MET A 3 46.666 -6.482 11.913 1.00 0.00 ATOM 21 CG MET A 3 46.594 -7.992 11.682 1.00 0.00 ATOM 22 SD MET A 3 47.382 -8.944 12.988 1.00 0.00 ATOM 23 CE MET A 3 49.062 -8.362 12.858 1.00 0.00 ATOM 24 O MET A 3 44.278 -4.141 11.918 1.00 0.00 ATOM 25 C MET A 3 45.395 -4.375 11.444 1.00 0.00 ATOM 26 N ALA A 4 46.372 -3.475 11.426 1.00 0.00 ATOM 27 CA ALA A 4 46.141 -2.134 11.931 1.00 0.00 ATOM 28 CB ALA A 4 47.358 -1.273 11.843 1.00 0.00 ATOM 29 O ALA A 4 44.291 -0.668 11.649 1.00 0.00 ATOM 30 C ALA A 4 45.100 -1.392 11.098 1.00 0.00 ATOM 31 N ASN A 5 45.142 -1.529 9.772 1.00 0.00 ATOM 32 CA ASN A 5 44.173 -0.864 8.913 1.00 0.00 ATOM 33 CB ASN A 5 44.393 -1.165 7.435 1.00 0.00 ATOM 34 CG ASN A 5 45.583 -0.429 6.822 1.00 0.00 ATOM 35 ND2 ASN A 5 46.078 -0.932 5.742 1.00 0.00 ATOM 36 OD1 ASN A 5 46.011 0.597 7.261 1.00 0.00 ATOM 37 O ASN A 5 41.860 -0.514 9.463 1.00 0.00 ATOM 38 C ASN A 5 42.759 -1.319 9.291 1.00 0.00 ATOM 39 N HIS A 6 42.573 -2.729 9.446 1.00 0.00 ATOM 40 CA HIS A 6 41.272 -3.261 9.809 1.00 0.00 ATOM 41 CB HIS A 6 41.294 -4.790 9.790 1.00 0.00 ATOM 42 CG HIS A 6 41.361 -5.377 8.415 1.00 0.00 ATOM 43 CD2 HIS A 6 42.319 -6.188 7.677 1.00 0.00 ATOM 44 ND1 HIS A 6 40.358 -5.209 7.484 1.00 0.00 ATOM 45 CE1 HIS A 6 40.701 -5.847 6.351 1.00 0.00 ATOM 46 NE2 HIS A 6 41.875 -6.437 6.459 1.00 0.00 ATOM 47 O HIS A 6 39.684 -2.416 11.389 1.00 0.00 ATOM 48 C HIS A 6 40.813 -2.826 11.202 1.00 0.00 ATOM 49 N PRO A 7 41.712 -2.905 12.168 1.00 0.00 ATOM 50 CA PRO A 7 41.351 -2.507 13.519 1.00 0.00 ATOM 51 CB PRO A 7 42.575 -2.746 14.349 1.00 0.00 ATOM 52 CG PRO A 7 43.166 -3.945 13.682 1.00 0.00 ATOM 53 CD PRO A 7 43.047 -3.581 12.218 1.00 0.00 ATOM 54 O PRO A 7 40.017 -0.598 14.262 1.00 0.00 ATOM 55 C PRO A 7 40.939 -1.036 13.565 1.00 0.00 ATOM 56 N ARG A 8 41.654 -0.116 12.768 1.00 0.00 ATOM 57 CA ARG A 8 41.322 1.310 12.721 1.00 0.00 ATOM 58 CB ARG A 8 42.230 2.082 11.827 1.00 0.00 ATOM 59 CG ARG A 8 43.671 2.050 12.341 1.00 0.00 ATOM 60 CD ARG A 8 44.594 3.034 11.631 1.00 0.00 ATOM 61 NE ARG A 8 44.646 2.827 10.187 1.00 0.00 ATOM 62 CZ ARG A 8 45.569 3.359 9.389 1.00 0.00 ATOM 63 NH1 ARG A 8 46.527 4.124 9.898 1.00 0.00 ATOM 64 NH2 ARG A 8 45.528 3.141 8.078 1.00 0.00 ATOM 65 O ARG A 8 39.108 2.239 12.787 1.00 0.00 ATOM 66 C ARG A 8 39.898 1.518 12.182 1.00 0.00 ATOM 67 N PRO A 9 39.565 0.886 11.061 1.00 0.00 ATOM 68 CA PRO A 9 38.212 1.052 10.511 1.00 0.00 ATOM 69 CB PRO A 9 38.188 0.295 9.239 1.00 0.00 ATOM 70 CG PRO A 9 39.584 0.470 8.727 1.00 0.00 ATOM 71 CD PRO A 9 40.452 0.366 9.954 1.00 0.00 ATOM 72 O PRO A 9 36.054 1.129 11.583 1.00 0.00 ATOM 73 C PRO A 9 37.143 0.558 11.488 1.00 0.00 ATOM 74 N GLY A 10 37.471 -0.568 12.255 1.00 0.00 ATOM 75 CA GLY A 10 36.544 -1.138 13.214 1.00 0.00 ATOM 76 O GLY A 10 35.201 -0.112 14.902 1.00 0.00 ATOM 77 C GLY A 10 36.334 -0.265 14.441 1.00 0.00 ATOM 78 N ASP A 11 37.415 0.337 14.941 1.00 0.00 ATOM 79 CA ASP A 11 37.305 1.276 16.056 1.00 0.00 ATOM 80 CB ASP A 11 38.683 1.817 16.439 1.00 0.00 ATOM 81 CG ASP A 11 39.538 0.786 17.151 1.00 0.00 ATOM 82 OD1 ASP A 11 38.989 -0.260 17.558 1.00 0.00 ATOM 83 OD2 ASP A 11 40.754 1.023 17.301 1.00 0.00 ATOM 84 O ASP A 11 35.580 2.909 16.491 1.00 0.00 ATOM 85 C ASP A 11 36.418 2.455 15.683 1.00 0.00 ATOM 86 N ILE A 12 36.602 2.950 14.460 1.00 0.00 ATOM 87 CA ILE A 12 35.850 4.093 13.990 1.00 0.00 ATOM 88 CB ILE A 12 36.369 4.589 12.628 1.00 0.00 ATOM 89 CG1 ILE A 12 37.815 5.072 12.752 1.00 0.00 ATOM 90 CG2 ILE A 12 35.516 5.743 12.122 1.00 0.00 ATOM 91 CD1 ILE A 12 37.995 6.219 13.722 1.00 0.00 ATOM 92 O ILE A 12 33.518 4.511 14.224 1.00 0.00 ATOM 93 C ILE A 12 34.394 3.714 13.860 1.00 0.00 ATOM 94 N ILE A 13 34.085 2.521 13.332 1.00 0.00 ATOM 95 CA ILE A 13 32.693 2.092 13.178 1.00 0.00 ATOM 96 CB ILE A 13 32.602 0.710 12.504 1.00 0.00 ATOM 97 CG1 ILE A 13 33.052 0.798 11.044 1.00 0.00 ATOM 98 CG2 ILE A 13 31.170 0.196 12.536 1.00 0.00 ATOM 99 CD1 ILE A 13 33.251 -0.548 10.384 1.00 0.00 ATOM 100 O ILE A 13 30.894 2.472 14.726 1.00 0.00 ATOM 101 C ILE A 13 32.014 1.990 14.546 1.00 0.00 ATOM 102 N GLN A 14 32.699 1.376 15.485 1.00 0.00 ATOM 103 CA GLN A 14 32.146 1.237 16.832 1.00 0.00 ATOM 104 CB GLN A 14 33.488 0.930 17.804 1.00 0.00 ATOM 105 CG GLN A 14 33.388 -0.025 18.977 1.00 0.00 ATOM 106 CD GLN A 14 34.541 0.115 19.947 1.00 0.00 ATOM 107 OE1 GLN A 14 35.704 0.175 19.546 1.00 0.00 ATOM 108 NE2 GLN A 14 34.224 0.155 21.236 1.00 0.00 ATOM 109 O GLN A 14 30.802 2.861 18.020 1.00 0.00 ATOM 110 C GLN A 14 31.839 2.627 17.421 1.00 0.00 ATOM 111 N GLU A 15 32.766 3.556 17.284 1.00 0.00 ATOM 112 CA GLU A 15 32.598 4.910 17.819 1.00 0.00 ATOM 113 CB GLU A 15 33.843 5.754 17.537 1.00 0.00 ATOM 114 CG GLU A 15 33.778 7.163 18.102 1.00 0.00 ATOM 115 CD GLU A 15 35.041 7.958 17.833 1.00 0.00 ATOM 116 OE1 GLU A 15 35.975 7.400 17.217 1.00 0.00 ATOM 117 OE2 GLU A 15 35.099 9.137 18.240 1.00 0.00 ATOM 118 O GLU A 15 30.545 6.140 17.889 1.00 0.00 ATOM 119 C GLU A 15 31.393 5.600 17.183 1.00 0.00 ATOM 120 N SER A 16 31.308 5.561 15.856 1.00 0.00 ATOM 121 CA SER A 16 30.216 6.213 15.165 1.00 0.00 ATOM 122 CB SER A 16 30.433 6.158 13.651 1.00 0.00 ATOM 123 OG SER A 16 31.561 6.925 13.270 1.00 0.00 ATOM 124 O SER A 16 27.884 6.230 15.718 1.00 0.00 ATOM 125 C SER A 16 28.879 5.550 15.475 1.00 0.00 ATOM 126 N LEU A 17 28.842 4.217 15.472 1.00 0.00 ATOM 127 CA LEU A 17 27.613 3.488 15.760 1.00 0.00 ATOM 128 CB LEU A 17 27.826 1.976 15.670 1.00 0.00 ATOM 129 CG LEU A 17 28.035 1.403 14.266 1.00 0.00 ATOM 130 CD1 LEU A 17 28.424 -0.066 14.337 1.00 0.00 ATOM 131 CD2 LEU A 17 26.762 1.518 13.443 1.00 0.00 ATOM 132 O LEU A 17 25.909 4.058 17.395 1.00 0.00 ATOM 133 C LEU A 17 27.102 3.814 17.173 1.00 0.00 ATOM 134 N ASP A 18 27.999 3.758 18.148 1.00 0.00 ATOM 135 CA ASP A 18 27.649 3.994 19.547 1.00 0.00 ATOM 136 CB ASP A 18 28.701 3.839 20.547 1.00 0.00 ATOM 137 CG ASP A 18 28.820 2.401 20.986 1.00 0.00 ATOM 138 OD1 ASP A 18 28.011 1.520 20.614 1.00 0.00 ATOM 139 OD2 ASP A 18 29.756 2.037 21.780 1.00 0.00 ATOM 140 O ASP A 18 26.223 5.689 20.439 1.00 0.00 ATOM 141 C ASP A 18 27.207 5.445 19.748 1.00 0.00 ATOM 142 N GLU A 19 27.899 6.394 19.116 1.00 0.00 ATOM 143 CA GLU A 19 27.479 7.820 19.113 1.00 0.00 ATOM 144 CB GLU A 19 28.477 8.619 18.169 1.00 0.00 ATOM 145 CG GLU A 19 29.857 8.888 18.689 1.00 0.00 ATOM 146 CD GLU A 19 29.863 9.382 20.123 1.00 0.00 ATOM 147 OE1 GLU A 19 29.327 10.474 20.424 1.00 0.00 ATOM 148 OE2 GLU A 19 30.413 8.643 20.955 1.00 0.00 ATOM 149 O GLU A 19 25.322 8.873 19.047 1.00 0.00 ATOM 150 C GLU A 19 26.066 8.013 18.572 1.00 0.00 ATOM 151 N LEU A 20 25.709 7.178 17.589 1.00 0.00 ATOM 152 CA LEU A 20 24.385 7.253 16.977 1.00 0.00 ATOM 153 CB LEU A 20 24.449 6.722 15.543 1.00 0.00 ATOM 154 CG LEU A 20 25.331 7.506 14.569 1.00 0.00 ATOM 155 CD1 LEU A 20 25.390 6.810 13.218 1.00 0.00 ATOM 156 CD2 LEU A 20 24.781 8.909 14.357 1.00 0.00 ATOM 157 O LEU A 20 22.163 6.380 17.278 1.00 0.00 ATOM 158 C LEU A 20 23.329 6.471 17.708 1.00 0.00 ATOM 159 N ASN A 21 23.685 5.804 18.799 1.00 0.00 ATOM 160 CA ASN A 21 22.789 4.994 19.601 1.00 0.00 ATOM 161 CB ASN A 21 21.605 5.883 19.988 1.00 0.00 ATOM 162 CG ASN A 21 21.993 6.978 20.962 1.00 0.00 ATOM 163 ND2 ASN A 21 21.235 8.069 20.957 1.00 0.00 ATOM 164 OD1 ASN A 21 22.962 6.843 21.709 1.00 0.00 ATOM 165 O ASN A 21 21.021 3.468 18.957 1.00 0.00 ATOM 166 C ASN A 21 22.191 3.804 18.836 1.00 0.00 ATOM 167 N VAL A 22 23.027 3.156 18.066 1.00 0.00 ATOM 168 CA VAL A 22 22.603 1.956 17.327 1.00 0.00 ATOM 169 CB VAL A 22 22.977 2.104 15.840 1.00 0.00 ATOM 170 CG1 VAL A 22 22.592 0.852 15.067 1.00 0.00 ATOM 171 CG2 VAL A 22 22.251 3.291 15.224 1.00 0.00 ATOM 172 O VAL A 22 24.620 0.786 18.001 1.00 0.00 ATOM 173 C VAL A 22 23.375 0.752 17.849 1.00 0.00 ATOM 174 N SER A 23 22.640 -0.296 18.189 1.00 0.00 ATOM 175 CA SER A 23 23.247 -1.562 18.592 1.00 0.00 ATOM 176 CB SER A 23 22.250 -2.509 19.262 1.00 0.00 ATOM 177 OG SER A 23 21.280 -2.966 18.337 1.00 0.00 ATOM 178 O SER A 23 23.551 -1.970 16.237 1.00 0.00 ATOM 179 C SER A 23 23.867 -2.270 17.385 1.00 0.00 ATOM 180 N LEU A 24 24.735 -3.234 17.657 1.00 0.00 ATOM 181 CA LEU A 24 25.289 -4.072 16.609 1.00 0.00 ATOM 182 CB LEU A 24 26.306 -5.041 17.125 1.00 0.00 ATOM 183 CG LEU A 24 27.562 -4.346 17.644 1.00 0.00 ATOM 184 CD1 LEU A 24 28.485 -5.383 18.271 1.00 0.00 ATOM 185 CD2 LEU A 24 28.257 -3.603 16.505 1.00 0.00 ATOM 186 O LEU A 24 24.268 -4.969 14.601 1.00 0.00 ATOM 187 C LEU A 24 24.208 -4.854 15.833 1.00 0.00 ATOM 188 N ARG A 25 23.222 -5.321 16.577 1.00 0.00 ATOM 189 CA ARG A 25 22.094 -6.063 15.986 1.00 0.00 ATOM 190 CB ARG A 25 21.197 -6.674 17.069 1.00 0.00 ATOM 191 CG ARG A 25 21.860 -7.801 17.848 1.00 0.00 ATOM 192 CD ARG A 25 21.063 -8.213 19.025 1.00 0.00 ATOM 193 NE ARG A 25 21.651 -9.298 19.791 1.00 0.00 ATOM 194 CZ ARG A 25 21.230 -9.652 21.009 1.00 0.00 ATOM 195 NH1 ARG A 25 20.194 -9.046 21.562 1.00 0.00 ATOM 196 NH2 ARG A 25 21.833 -10.627 21.667 1.00 0.00 ATOM 197 O ARG A 25 20.924 -5.532 13.987 1.00 0.00 ATOM 198 C ARG A 25 21.275 -5.142 15.083 1.00 0.00 ATOM 199 N GLU A 26 20.992 -3.932 15.542 1.00 0.00 ATOM 200 CA GLU A 26 20.231 -2.956 14.779 1.00 0.00 ATOM 201 CB GLU A 26 19.986 -1.701 15.620 1.00 0.00 ATOM 202 CG GLU A 26 19.181 -0.626 14.908 1.00 0.00 ATOM 203 CD GLU A 26 18.930 0.588 15.782 1.00 0.00 ATOM 204 OE1 GLU A 26 19.376 0.583 16.948 1.00 0.00 ATOM 205 OE2 GLU A 26 18.288 1.544 15.300 1.00 0.00 ATOM 206 O GLU A 26 20.408 -2.486 12.423 1.00 0.00 ATOM 207 C GLU A 26 20.985 -2.562 13.511 1.00 0.00 ATOM 208 N PHE A 27 22.281 -2.297 13.667 1.00 0.00 ATOM 209 CA PHE A 27 23.113 -1.900 12.536 1.00 0.00 ATOM 210 CB PHE A 27 24.468 -1.474 13.050 1.00 0.00 ATOM 211 CG PHE A 27 25.486 -1.039 12.062 1.00 0.00 ATOM 212 CD1 PHE A 27 25.279 -0.024 11.144 1.00 0.00 ATOM 213 CD2 PHE A 27 26.776 -1.618 12.106 1.00 0.00 ATOM 214 CE1 PHE A 27 26.329 0.370 10.287 1.00 0.00 ATOM 215 CE2 PHE A 27 27.789 -1.232 11.286 1.00 0.00 ATOM 216 CZ PHE A 27 27.566 -0.208 10.379 1.00 0.00 ATOM 217 O PHE A 27 23.026 -2.797 10.308 1.00 0.00 ATOM 218 C PHE A 27 23.142 -3.035 11.513 1.00 0.00 ATOM 219 N ALA A 28 23.300 -4.262 12.000 1.00 0.00 ATOM 220 CA ALA A 28 23.343 -5.435 11.130 1.00 0.00 ATOM 221 CB ALA A 28 23.468 -6.700 11.966 1.00 0.00 ATOM 222 O ALA A 28 22.073 -5.813 9.127 1.00 0.00 ATOM 223 C ALA A 28 22.049 -5.545 10.328 1.00 0.00 ATOM 224 N ARG A 29 20.925 -5.340 11.009 1.00 0.00 ATOM 225 CA ARG A 29 19.616 -5.423 10.364 1.00 0.00 ATOM 226 CB ARG A 29 18.446 -5.218 11.305 1.00 0.00 ATOM 227 CG ARG A 29 18.339 -6.418 12.273 1.00 0.00 ATOM 228 CD ARG A 29 17.224 -6.342 13.319 1.00 0.00 ATOM 229 NE ARG A 29 17.018 -7.681 13.909 1.00 0.00 ATOM 230 CZ ARG A 29 16.369 -7.905 15.031 1.00 0.00 ATOM 231 NH1 ARG A 29 15.866 -6.904 15.686 1.00 0.00 ATOM 232 NH2 ARG A 29 16.218 -9.140 15.507 1.00 0.00 ATOM 233 O ARG A 29 19.010 -4.582 8.191 1.00 0.00 ATOM 234 C ARG A 29 19.436 -4.317 9.318 1.00 0.00 ATOM 235 N ALA A 30 19.819 -3.094 9.668 1.00 0.00 ATOM 236 CA ALA A 30 19.666 -1.956 8.755 1.00 0.00 ATOM 237 CB ALA A 30 20.056 -0.661 9.449 1.00 0.00 ATOM 238 O ALA A 30 20.215 -1.623 6.446 1.00 0.00 ATOM 239 C ALA A 30 20.566 -2.106 7.516 1.00 0.00 ATOM 240 N MET A 31 21.792 -2.749 7.671 1.00 0.00 ATOM 241 CA MET A 31 22.766 -2.918 6.580 1.00 0.00 ATOM 242 CB MET A 31 24.195 -2.866 7.123 1.00 0.00 ATOM 243 CG MET A 31 24.566 -4.047 8.008 1.00 0.00 ATOM 244 SD MET A 31 26.296 -4.019 8.512 1.00 0.00 ATOM 245 CE MET A 31 27.104 -4.460 6.976 1.00 0.00 ATOM 246 O MET A 31 23.321 -4.476 4.857 1.00 0.00 ATOM 247 C MET A 31 22.622 -4.249 5.836 1.00 0.00 ATOM 248 N GLU A 32 21.751 -5.139 6.307 1.00 0.00 ATOM 249 CA GLU A 32 21.580 -6.458 5.714 1.00 0.00 ATOM 250 CB GLU A 32 20.691 -6.336 4.303 1.00 0.00 ATOM 251 CG GLU A 32 19.564 -5.331 4.342 1.00 0.00 ATOM 252 CD GLU A 32 19.196 -4.769 2.998 1.00 0.00 ATOM 253 OE1 GLU A 32 20.023 -4.738 2.053 1.00 0.00 ATOM 254 OE2 GLU A 32 18.055 -4.295 2.902 1.00 0.00 ATOM 255 O GLU A 32 23.283 -7.976 4.950 1.00 0.00 ATOM 256 C GLU A 32 22.835 -7.307 5.879 1.00 0.00 ATOM 257 N ILE A 33 23.371 -7.334 7.064 1.00 0.00 ATOM 258 CA ILE A 33 24.602 -8.017 7.403 1.00 0.00 ATOM 259 CB ILE A 33 25.722 -6.973 7.561 1.00 0.00 ATOM 260 CG1 ILE A 33 26.798 -7.226 6.523 1.00 0.00 ATOM 261 CG2 ILE A 33 26.265 -6.909 8.993 1.00 0.00 ATOM 262 CD1 ILE A 33 26.379 -6.774 5.164 1.00 0.00 ATOM 263 O ILE A 33 23.534 -8.383 9.552 1.00 0.00 ATOM 264 C ILE A 33 24.370 -8.717 8.729 1.00 0.00 ATOM 265 N ALA A 34 25.133 -9.768 8.958 1.00 0.00 ATOM 266 CA ALA A 34 25.080 -10.551 10.204 1.00 0.00 ATOM 267 CB ALA A 34 25.922 -11.789 10.039 1.00 0.00 ATOM 268 O ALA A 34 26.672 -9.091 11.231 1.00 0.00 ATOM 269 C ALA A 34 25.650 -9.754 11.372 1.00 0.00 ATOM 270 N PRO A 35 25.013 -9.829 12.539 1.00 0.00 ATOM 271 CA PRO A 35 25.579 -9.189 13.733 1.00 0.00 ATOM 272 CB PRO A 35 24.576 -9.520 14.842 1.00 0.00 ATOM 273 CG PRO A 35 23.275 -9.682 14.130 1.00 0.00 ATOM 274 CD PRO A 35 23.592 -10.368 12.830 1.00 0.00 ATOM 275 O PRO A 35 27.861 -8.970 14.471 1.00 0.00 ATOM 276 C PRO A 35 26.982 -9.726 14.055 1.00 0.00 ATOM 277 N SER A 36 27.185 -11.050 13.849 1.00 0.00 ATOM 278 CA SER A 36 28.505 -11.615 14.133 1.00 0.00 ATOM 279 CB SER A 36 28.526 -13.111 13.814 1.00 0.00 ATOM 280 OG SER A 36 27.700 -13.834 14.711 1.00 0.00 ATOM 281 O SER A 36 30.665 -10.642 13.704 1.00 0.00 ATOM 282 C SER A 36 29.554 -10.915 13.262 1.00 0.00 ATOM 283 N THR A 37 29.164 -10.601 12.018 1.00 0.00 ATOM 284 CA THR A 37 30.067 -9.949 11.076 1.00 0.00 ATOM 285 CB THR A 37 29.404 -9.894 9.687 1.00 0.00 ATOM 286 CG2 THR A 37 30.318 -9.205 8.686 1.00 0.00 ATOM 287 OG1 THR A 37 29.135 -11.226 9.230 1.00 0.00 ATOM 288 O THR A 37 31.563 -8.111 11.356 1.00 0.00 ATOM 289 C THR A 37 30.420 -8.518 11.488 1.00 0.00 ATOM 290 N ALA A 38 29.449 -7.740 11.972 1.00 0.00 ATOM 291 CA ALA A 38 29.710 -6.399 12.470 1.00 0.00 ATOM 292 CB ALA A 38 28.440 -5.774 13.026 1.00 0.00 ATOM 293 O ALA A 38 31.688 -5.691 13.679 1.00 0.00 ATOM 294 C ALA A 38 30.723 -6.462 13.614 1.00 0.00 ATOM 295 N SER A 39 30.505 -7.399 14.527 1.00 0.00 ATOM 296 CA SER A 39 31.410 -7.570 15.646 1.00 0.00 ATOM 297 CB SER A 39 30.915 -8.686 16.568 1.00 0.00 ATOM 298 OG SER A 39 29.702 -8.321 17.205 1.00 0.00 ATOM 299 O SER A 39 33.782 -7.362 15.665 1.00 0.00 ATOM 300 C SER A 39 32.810 -7.915 15.139 1.00 0.00 ATOM 301 N ARG A 40 32.920 -8.869 14.215 1.00 0.00 ATOM 302 CA ARG A 40 34.201 -9.273 13.656 1.00 0.00 ATOM 303 CB ARG A 40 33.995 -10.348 12.587 1.00 0.00 ATOM 304 CG ARG A 40 33.607 -11.709 13.143 1.00 0.00 ATOM 305 CD ARG A 40 33.374 -12.714 12.026 1.00 0.00 ATOM 306 NE ARG A 40 32.954 -14.014 12.540 1.00 0.00 ATOM 307 CZ ARG A 40 32.631 -15.051 11.775 1.00 0.00 ATOM 308 NH1 ARG A 40 32.259 -16.197 12.332 1.00 0.00 ATOM 309 NH2 ARG A 40 32.680 -14.943 10.455 1.00 0.00 ATOM 310 O ARG A 40 36.122 -7.923 13.147 1.00 0.00 ATOM 311 C ARG A 40 34.910 -8.087 12.982 1.00 0.00 ATOM 312 N LEU A 41 34.168 -7.298 12.221 1.00 0.00 ATOM 313 CA LEU A 41 34.728 -6.107 11.571 1.00 0.00 ATOM 314 CB LEU A 41 33.656 -5.394 10.745 1.00 0.00 ATOM 315 CG LEU A 41 33.176 -6.119 9.485 1.00 0.00 ATOM 316 CD1 LEU A 41 31.993 -5.391 8.865 1.00 0.00 ATOM 317 CD2 LEU A 41 34.288 -6.190 8.450 1.00 0.00 ATOM 318 O LEU A 41 36.360 -4.588 12.460 1.00 0.00 ATOM 319 C LEU A 41 35.279 -5.144 12.615 1.00 0.00 ATOM 320 N LEU A 42 34.549 -4.970 13.689 1.00 0.00 ATOM 321 CA LEU A 42 34.981 -4.075 14.752 1.00 0.00 ATOM 322 CB LEU A 42 33.935 -3.991 15.863 1.00 0.00 ATOM 323 CG LEU A 42 32.626 -3.281 15.511 1.00 0.00 ATOM 324 CD1 LEU A 42 31.619 -3.415 16.643 1.00 0.00 ATOM 325 CD2 LEU A 42 32.868 -1.799 15.263 1.00 0.00 ATOM 326 O LEU A 42 37.034 -3.710 15.881 1.00 0.00 ATOM 327 C LEU A 42 36.317 -4.535 15.329 1.00 0.00 ATOM 328 N THR A 43 36.614 -5.872 15.258 1.00 0.00 ATOM 329 CA THR A 43 37.847 -6.435 15.831 1.00 0.00 ATOM 330 CB THR A 43 37.619 -7.827 16.449 1.00 0.00 ATOM 331 CG2 THR A 43 36.634 -7.743 17.605 1.00 0.00 ATOM 332 OG1 THR A 43 37.092 -8.714 15.454 1.00 0.00 ATOM 333 O THR A 43 40.058 -7.022 15.044 1.00 0.00 ATOM 334 C THR A 43 38.931 -6.561 14.769 1.00 0.00 ATOM 335 N GLY A 44 38.618 -6.248 13.522 1.00 0.00 ATOM 336 CA GLY A 44 39.580 -6.368 12.440 1.00 0.00 ATOM 337 O GLY A 44 40.694 -8.037 11.161 1.00 0.00 ATOM 338 C GLY A 44 39.732 -7.766 11.877 1.00 0.00 ATOM 339 N LYS A 45 38.756 -8.631 12.168 1.00 0.00 ATOM 340 CA LYS A 45 38.811 -10.000 11.668 1.00 0.00 ATOM 341 CB LYS A 45 37.863 -10.907 12.457 1.00 0.00 ATOM 342 CG LYS A 45 38.258 -11.102 13.911 1.00 0.00 ATOM 343 CD LYS A 45 37.270 -12.001 14.636 1.00 0.00 ATOM 344 CE LYS A 45 37.680 -12.218 16.083 1.00 0.00 ATOM 345 NZ LYS A 45 36.731 -13.114 16.800 1.00 0.00 ATOM 346 O LYS A 45 38.775 -11.182 9.592 1.00 0.00 ATOM 347 C LYS A 45 38.434 -10.165 10.199 1.00 0.00 ATOM 348 N ALA A 46 37.741 -9.203 9.613 1.00 0.00 ATOM 349 CA ALA A 46 37.213 -9.453 8.285 1.00 0.00 ATOM 350 CB ALA A 46 35.740 -9.258 8.263 1.00 0.00 ATOM 351 O ALA A 46 38.149 -7.459 7.443 1.00 0.00 ATOM 352 C ALA A 46 37.824 -8.618 7.189 1.00 0.00 ATOM 353 N ALA A 47 38.006 -9.248 6.044 1.00 0.00 ATOM 354 CA ALA A 47 38.550 -8.528 4.893 1.00 0.00 ATOM 355 CB ALA A 47 38.884 -9.527 3.795 1.00 0.00 ATOM 356 O ALA A 47 37.249 -7.509 3.148 1.00 0.00 ATOM 357 C ALA A 47 37.604 -7.457 4.327 1.00 0.00 ATOM 358 N LEU A 48 37.022 -6.637 5.299 1.00 0.00 ATOM 359 CA LEU A 48 35.961 -5.747 4.868 1.00 0.00 ATOM 360 CB LEU A 48 35.697 -4.675 5.926 1.00 0.00 ATOM 361 CG LEU A 48 34.537 -3.718 5.647 1.00 0.00 ATOM 362 CD1 LEU A 48 33.209 -4.461 5.670 1.00 0.00 ATOM 363 CD2 LEU A 48 34.482 -2.618 6.696 1.00 0.00 ATOM 364 O LEU A 48 37.593 -4.804 3.356 1.00 0.00 ATOM 365 C LEU A 48 36.391 -5.105 3.579 1.00 0.00 ATOM 366 N THR A 49 35.397 -4.980 2.717 1.00 0.00 ATOM 367 CA THR A 49 35.593 -4.496 1.380 1.00 0.00 ATOM 368 CB THR A 49 35.404 -5.612 0.334 1.00 0.00 ATOM 369 CG2 THR A 49 36.328 -6.782 0.632 1.00 0.00 ATOM 370 OG1 THR A 49 34.048 -6.073 0.362 1.00 0.00 ATOM 371 O THR A 49 33.806 -2.933 1.881 1.00 0.00 ATOM 372 C THR A 49 34.624 -3.352 1.067 1.00 0.00 ATOM 373 N PRO A 50 34.784 -2.830 -0.141 1.00 0.00 ATOM 374 CA PRO A 50 34.116 -1.598 -0.555 1.00 0.00 ATOM 375 CB PRO A 50 34.400 -1.507 -2.056 1.00 0.00 ATOM 376 CG PRO A 50 35.736 -2.152 -2.223 1.00 0.00 ATOM 377 CD PRO A 50 35.738 -3.348 -1.313 1.00 0.00 ATOM 378 O PRO A 50 32.038 -0.660 0.235 1.00 0.00 ATOM 379 C PRO A 50 32.609 -1.609 -0.310 1.00 0.00 ATOM 380 N GLU A 51 31.943 -2.682 -0.736 1.00 0.00 ATOM 381 CA GLU A 51 30.470 -2.694 -0.642 1.00 0.00 ATOM 382 CB GLU A 51 29.903 -3.977 -1.254 1.00 0.00 ATOM 383 CG GLU A 51 28.385 -4.054 -1.240 1.00 0.00 ATOM 384 CD GLU A 51 27.861 -5.322 -1.883 1.00 0.00 ATOM 385 OE1 GLU A 51 28.684 -6.135 -2.353 1.00 0.00 ATOM 386 OE2 GLU A 51 26.626 -5.503 -1.920 1.00 0.00 ATOM 387 O GLU A 51 29.119 -1.823 1.138 1.00 0.00 ATOM 388 C GLU A 51 29.994 -2.624 0.806 1.00 0.00 ATOM 389 N MET A 52 30.570 -3.473 1.691 1.00 0.00 ATOM 390 CA MET A 52 30.168 -3.468 3.092 1.00 0.00 ATOM 391 CB MET A 52 30.789 -4.649 3.838 1.00 0.00 ATOM 392 CG MET A 52 30.235 -6.005 3.429 1.00 0.00 ATOM 393 SD MET A 52 31.012 -7.371 4.314 1.00 0.00 ATOM 394 CE MET A 52 30.376 -7.109 5.968 1.00 0.00 ATOM 395 O MET A 52 29.784 -1.652 4.619 1.00 0.00 ATOM 396 C MET A 52 30.521 -2.139 3.760 1.00 0.00 ATOM 397 N ALA A 53 31.669 -1.580 3.377 1.00 0.00 ATOM 398 CA ALA A 53 32.106 -0.308 3.944 1.00 0.00 ATOM 399 CB ALA A 53 33.380 0.190 3.281 1.00 0.00 ATOM 400 O ALA A 53 30.560 1.426 4.565 1.00 0.00 ATOM 401 C ALA A 53 30.984 0.692 3.672 1.00 0.00 ATOM 402 N ILE A 54 30.481 0.720 2.428 1.00 0.00 ATOM 403 CA ILE A 54 29.409 1.628 2.053 1.00 0.00 ATOM 404 CB ILE A 54 29.156 1.666 0.535 1.00 0.00 ATOM 405 CG1 ILE A 54 30.343 2.305 -0.189 1.00 0.00 ATOM 406 CG2 ILE A 54 27.907 2.476 0.223 1.00 0.00 ATOM 407 CD1 ILE A 54 30.298 2.147 -1.694 1.00 0.00 ATOM 408 O ILE A 54 27.376 2.230 3.182 1.00 0.00 ATOM 409 C ILE A 54 28.084 1.315 2.757 1.00 0.00 ATOM 410 N LYS A 55 27.709 0.041 2.829 1.00 0.00 ATOM 411 CA LYS A 55 26.463 -0.352 3.492 1.00 0.00 ATOM 412 CB LYS A 55 26.273 -1.870 3.495 1.00 0.00 ATOM 413 CG LYS A 55 25.945 -2.457 2.130 1.00 0.00 ATOM 414 CD LYS A 55 25.768 -3.965 2.206 1.00 0.00 ATOM 415 CE LYS A 55 25.464 -4.554 0.838 1.00 0.00 ATOM 416 NZ LYS A 55 25.319 -6.035 0.891 1.00 0.00 ATOM 417 O LYS A 55 25.515 0.697 5.458 1.00 0.00 ATOM 418 C LYS A 55 26.513 0.154 4.937 1.00 0.00 ATOM 419 N LEU A 56 27.665 -0.035 5.587 1.00 0.00 ATOM 420 CA LEU A 56 27.802 0.373 6.973 1.00 0.00 ATOM 421 CB LEU A 56 29.140 -0.106 7.539 1.00 0.00 ATOM 422 CG LEU A 56 29.293 -1.616 7.731 1.00 0.00 ATOM 423 CD1 LEU A 56 30.723 -1.967 8.117 1.00 0.00 ATOM 424 CD2 LEU A 56 28.368 -2.114 8.832 1.00 0.00 ATOM 425 O LEU A 56 27.024 2.444 7.953 1.00 0.00 ATOM 426 C LEU A 56 27.740 1.896 7.118 1.00 0.00 ATOM 427 N SER A 57 28.463 2.603 6.273 1.00 0.00 ATOM 428 CA SER A 57 28.454 4.064 6.333 1.00 0.00 ATOM 429 CB SER A 57 29.432 4.650 5.313 1.00 0.00 ATOM 430 OG SER A 57 30.771 4.317 5.641 1.00 0.00 ATOM 431 O SER A 57 26.616 5.566 6.702 1.00 0.00 ATOM 432 C SER A 57 27.057 4.613 6.060 1.00 0.00 ATOM 433 N VAL A 58 26.349 4.016 5.091 1.00 0.00 ATOM 434 CA VAL A 58 24.991 4.445 4.775 1.00 0.00 ATOM 435 CB VAL A 58 24.414 3.657 3.585 1.00 0.00 ATOM 436 CG1 VAL A 58 22.935 3.965 3.409 1.00 0.00 ATOM 437 CG2 VAL A 58 25.138 4.024 2.299 1.00 0.00 ATOM 438 O VAL A 58 23.248 5.095 6.303 1.00 0.00 ATOM 439 C VAL A 58 24.067 4.231 5.972 1.00 0.00 ATOM 440 N VAL A 59 24.192 3.080 6.621 1.00 0.00 ATOM 441 CA VAL A 59 23.373 2.756 7.783 1.00 0.00 ATOM 442 CB VAL A 59 23.606 1.265 8.191 1.00 0.00 ATOM 443 CG1 VAL A 59 22.828 0.903 9.443 1.00 0.00 ATOM 444 CG2 VAL A 59 23.197 0.361 7.032 1.00 0.00 ATOM 445 O VAL A 59 22.656 4.032 9.689 1.00 0.00 ATOM 446 C VAL A 59 23.583 3.746 8.925 1.00 0.00 ATOM 447 N ILE A 60 24.809 4.229 9.070 1.00 0.00 ATOM 448 CA ILE A 60 25.150 5.209 10.115 1.00 0.00 ATOM 449 CB ILE A 60 26.605 5.040 10.591 1.00 0.00 ATOM 450 CG1 ILE A 60 27.578 5.344 9.449 1.00 0.00 ATOM 451 CG2 ILE A 60 26.849 3.617 11.066 1.00 0.00 ATOM 452 CD1 ILE A 60 29.025 5.412 9.883 1.00 0.00 ATOM 453 O ILE A 60 25.010 7.572 10.503 1.00 0.00 ATOM 454 C ILE A 60 24.894 6.649 9.686 1.00 0.00 ATOM 455 N GLY A 61 24.446 6.830 8.434 1.00 0.00 ATOM 456 CA GLY A 61 24.076 8.143 7.945 1.00 0.00 ATOM 457 O GLY A 61 25.266 10.225 7.955 1.00 0.00 ATOM 458 C GLY A 61 25.317 9.001 7.801 1.00 0.00 ATOM 459 N SER A 62 26.482 8.421 7.485 1.00 0.00 ATOM 460 CA SER A 62 27.725 9.158 7.384 1.00 0.00 ATOM 461 CB SER A 62 28.650 8.753 8.523 1.00 0.00 ATOM 462 OG SER A 62 28.070 9.259 9.705 1.00 0.00 ATOM 463 O SER A 62 28.444 7.654 5.661 1.00 0.00 ATOM 464 C SER A 62 28.405 8.817 6.068 1.00 0.00 ATOM 465 N SER A 63 28.900 9.845 5.347 1.00 0.00 ATOM 466 CA SER A 63 29.584 9.631 4.084 1.00 0.00 ATOM 467 CB SER A 63 30.004 10.947 3.426 1.00 0.00 ATOM 468 OG SER A 63 30.983 11.616 4.202 1.00 0.00 ATOM 469 O SER A 63 31.523 8.989 5.327 1.00 0.00 ATOM 470 C SER A 63 30.849 8.809 4.312 1.00 0.00 ATOM 471 N PRO A 64 31.175 7.912 3.373 1.00 0.00 ATOM 472 CA PRO A 64 32.426 7.150 3.479 1.00 0.00 ATOM 473 CB PRO A 64 32.496 6.368 2.166 1.00 0.00 ATOM 474 CG PRO A 64 31.072 6.197 1.754 1.00 0.00 ATOM 475 CD PRO A 64 30.378 7.480 2.119 1.00 0.00 ATOM 476 O PRO A 64 34.644 7.650 4.262 1.00 0.00 ATOM 477 C PRO A 64 33.669 8.014 3.608 1.00 0.00 ATOM 478 N GLN A 65 33.647 9.200 2.989 1.00 0.00 ATOM 479 CA GLN A 65 34.756 10.138 3.063 1.00 0.00 ATOM 480 CB GLN A 65 34.421 11.406 2.311 1.00 0.00 ATOM 481 CG GLN A 65 34.510 11.173 0.777 1.00 0.00 ATOM 482 CD GLN A 65 33.930 12.305 -0.025 1.00 0.00 ATOM 483 OE1 GLN A 65 33.366 13.227 0.538 1.00 0.00 ATOM 484 NE2 GLN A 65 33.993 12.175 -1.365 1.00 0.00 ATOM 485 O GLN A 65 36.041 10.528 5.048 1.00 0.00 ATOM 486 C GLN A 65 34.923 10.523 4.536 1.00 0.00 ATOM 487 N MET A 66 33.837 10.877 5.216 1.00 0.00 ATOM 488 CA MET A 66 33.917 11.257 6.638 1.00 0.00 ATOM 489 CB MET A 66 32.539 11.680 7.150 1.00 0.00 ATOM 490 CG MET A 66 32.032 12.986 6.560 1.00 0.00 ATOM 491 SD MET A 66 33.106 14.383 6.938 1.00 0.00 ATOM 492 CE MET A 66 32.851 14.541 8.704 1.00 0.00 ATOM 493 O MET A 66 35.219 10.290 8.408 1.00 0.00 ATOM 494 C MET A 66 34.418 10.097 7.488 1.00 0.00 ATOM 495 N TRP A 67 33.961 8.898 7.164 1.00 0.00 ATOM 496 CA TRP A 67 34.450 7.686 7.832 1.00 0.00 ATOM 497 CB TRP A 67 33.734 6.503 7.234 1.00 0.00 ATOM 498 CG TRP A 67 34.043 5.261 7.923 1.00 0.00 ATOM 499 CD1 TRP A 67 34.167 5.082 9.267 1.00 0.00 ATOM 500 CD2 TRP A 67 34.287 3.994 7.322 1.00 0.00 ATOM 501 CE2 TRP A 67 34.556 3.083 8.366 1.00 0.00 ATOM 502 CE3 TRP A 67 34.306 3.536 6.002 1.00 0.00 ATOM 503 NE1 TRP A 67 34.473 3.775 9.544 1.00 0.00 ATOM 504 CZ2 TRP A 67 34.842 1.739 8.130 1.00 0.00 ATOM 505 CZ3 TRP A 67 34.591 2.201 5.767 1.00 0.00 ATOM 506 CH2 TRP A 67 34.855 1.318 6.828 1.00 0.00 ATOM 507 O TRP A 67 36.679 7.360 8.683 1.00 0.00 ATOM 508 C TRP A 67 35.973 7.571 7.697 1.00 0.00 ATOM 509 N LEU A 68 36.468 7.740 6.487 1.00 0.00 ATOM 510 CA LEU A 68 37.903 7.648 6.248 1.00 0.00 ATOM 511 CB LEU A 68 38.207 7.591 4.748 1.00 0.00 ATOM 512 CG LEU A 68 37.542 6.457 3.966 1.00 0.00 ATOM 513 CD1 LEU A 68 37.845 6.582 2.479 1.00 0.00 ATOM 514 CD2 LEU A 68 38.049 5.106 4.442 1.00 0.00 ATOM 515 O LEU A 68 39.797 8.632 7.373 1.00 0.00 ATOM 516 C LEU A 68 38.660 8.802 6.912 1.00 0.00 ATOM 517 N ASN A 69 38.077 9.998 6.907 1.00 0.00 ATOM 518 CA ASN A 69 38.739 11.129 7.572 1.00 0.00 ATOM 519 CB ASN A 69 37.889 12.394 7.437 1.00 0.00 ATOM 520 CG ASN A 69 37.908 12.963 6.031 1.00 0.00 ATOM 521 ND2 ASN A 69 36.916 13.785 5.713 1.00 0.00 ATOM 522 OD1 ASN A 69 38.806 12.664 5.244 1.00 0.00 ATOM 523 O ASN A 69 40.009 11.075 9.608 1.00 0.00 ATOM 524 C ASN A 69 38.938 10.822 9.060 1.00 0.00 ATOM 525 N LEU A 70 37.918 10.268 9.702 1.00 0.00 ATOM 526 CA LEU A 70 38.057 9.869 11.104 1.00 0.00 ATOM 527 CB LEU A 70 36.730 9.332 11.642 1.00 0.00 ATOM 528 CG LEU A 70 35.605 10.355 11.817 1.00 0.00 ATOM 529 CD1 LEU A 70 34.301 9.664 12.181 1.00 0.00 ATOM 530 CD2 LEU A 70 35.945 11.343 12.923 1.00 0.00 ATOM 531 O LEU A 70 39.929 8.802 12.225 1.00 0.00 ATOM 532 C LEU A 70 39.123 8.776 11.280 1.00 0.00 ATOM 533 N GLN A 71 39.139 7.811 10.375 1.00 0.00 ATOM 534 CA GLN A 71 40.161 6.780 10.398 1.00 0.00 ATOM 535 CB GLN A 71 39.988 5.825 9.216 1.00 0.00 ATOM 536 CG GLN A 71 40.977 4.672 9.199 1.00 0.00 ATOM 537 CD GLN A 71 40.746 3.721 8.042 1.00 0.00 ATOM 538 OE1 GLN A 71 39.882 3.955 7.196 1.00 0.00 ATOM 539 NE2 GLN A 71 41.519 2.641 7.999 1.00 0.00 ATOM 540 O GLN A 71 42.439 7.048 11.092 1.00 0.00 ATOM 541 C GLN A 71 41.552 7.412 10.304 1.00 0.00 ATOM 542 N ASN A 72 41.692 8.390 9.416 1.00 0.00 ATOM 543 CA ASN A 72 42.985 9.061 9.217 1.00 0.00 ATOM 544 CB ASN A 72 42.880 10.014 8.023 1.00 0.00 ATOM 545 CG ASN A 72 42.826 9.281 6.696 1.00 0.00 ATOM 546 ND2 ASN A 72 42.316 9.953 5.672 1.00 0.00 ATOM 547 OD1 ASN A 72 43.237 8.124 6.597 1.00 0.00 ATOM 548 O ASN A 72 44.554 10.098 10.774 1.00 0.00 ATOM 549 C ASN A 72 43.382 9.846 10.480 1.00 0.00 ATOM 550 N ALA A 73 42.387 10.394 11.188 1.00 0.00 ATOM 551 CA ALA A 73 42.692 11.256 12.320 1.00 0.00 ATOM 552 CB ALA A 73 41.501 12.180 12.529 1.00 0.00 ATOM 553 O ALA A 73 43.353 11.020 14.595 1.00 0.00 ATOM 554 C ALA A 73 42.905 10.457 13.586 1.00 0.00 ATOM 555 N TRP A 74 42.636 9.156 13.545 1.00 0.00 ATOM 556 CA TRP A 74 42.847 8.300 14.714 1.00 0.00 ATOM 557 CB TRP A 74 42.387 6.870 14.420 1.00 0.00 ATOM 558 CG TRP A 74 42.493 5.951 15.598 1.00 0.00 ATOM 559 CD1 TRP A 74 43.433 4.982 15.799 1.00 0.00 ATOM 560 CD2 TRP A 74 41.629 5.916 16.741 1.00 0.00 ATOM 561 CE2 TRP A 74 42.104 4.899 17.592 1.00 0.00 ATOM 562 CE3 TRP A 74 40.498 6.643 17.126 1.00 0.00 ATOM 563 NE1 TRP A 74 43.208 4.343 16.994 1.00 0.00 ATOM 564 CZ2 TRP A 74 41.491 4.592 18.806 1.00 0.00 ATOM 565 CZ3 TRP A 74 39.893 6.334 18.330 1.00 0.00 ATOM 566 CH2 TRP A 74 40.387 5.321 19.157 1.00 0.00 ATOM 567 O TRP A 74 45.179 8.118 14.233 1.00 0.00 ATOM 568 C TRP A 74 44.317 8.259 15.103 1.00 0.00 ATOM 569 N SER A 75 44.671 8.473 16.447 1.00 0.00 ATOM 570 CA SER A 75 46.064 8.528 16.943 1.00 0.00 ATOM 571 CB SER A 75 46.087 8.645 18.468 1.00 0.00 ATOM 572 OG SER A 75 45.564 7.476 19.076 1.00 0.00 ATOM 573 O SER A 75 48.055 7.453 16.077 1.00 0.00 ATOM 574 C SER A 75 46.895 7.311 16.468 1.00 0.00 ATOM 575 N LEU A 76 46.315 6.094 16.538 1.00 0.00 ATOM 576 CA LEU A 76 47.062 4.917 16.150 1.00 0.00 ATOM 577 CB LEU A 76 46.254 3.660 16.604 1.00 0.00 ATOM 578 CG LEU A 76 46.934 2.316 16.288 1.00 0.00 ATOM 579 CD1 LEU A 76 48.247 2.162 17.016 1.00 0.00 ATOM 580 CD2 LEU A 76 45.981 1.207 16.626 1.00 0.00 ATOM 581 O LEU A 76 48.467 4.478 14.248 1.00 0.00 ATOM 582 C LEU A 76 47.402 4.945 14.659 1.00 0.00 ATOM 583 N ALA A 77 46.472 5.448 13.832 1.00 0.00 ATOM 584 CA ALA A 77 46.700 5.523 12.393 1.00 0.00 ATOM 585 CB ALA A 77 45.458 6.100 11.698 1.00 0.00 ATOM 586 O ALA A 77 48.743 6.023 11.238 1.00 0.00 ATOM 587 C ALA A 77 47.907 6.396 12.065 1.00 0.00 ATOM 588 N GLU A 78 48.017 7.540 12.736 1.00 0.00 ATOM 589 CA GLU A 78 49.155 8.419 12.493 1.00 0.00 ATOM 590 CB GLU A 78 49.135 9.852 13.141 1.00 0.00 ATOM 591 CG GLU A 78 47.879 10.749 13.037 1.00 0.00 ATOM 592 CD GLU A 78 47.827 11.741 14.190 1.00 0.00 ATOM 593 OE1 GLU A 78 48.820 12.223 14.691 1.00 0.00 ATOM 594 OE2 GLU A 78 46.621 12.014 14.652 1.00 0.00 ATOM 595 O GLU A 78 51.486 7.923 12.250 1.00 0.00 ATOM 596 C GLU A 78 50.461 7.749 12.907 1.00 0.00 ATOM 597 N ALA A 79 50.427 6.971 13.988 1.00 0.00 ATOM 598 CA ALA A 79 51.628 6.266 14.428 1.00 0.00 ATOM 599 CB ALA A 79 51.344 5.466 15.695 1.00 0.00 ATOM 600 O ALA A 79 53.279 5.234 13.015 1.00 0.00 ATOM 601 C ALA A 79 52.090 5.315 13.322 1.00 0.00 ATOM 602 N GLU A 80 51.144 4.593 12.730 1.00 0.00 ATOM 603 CA GLU A 80 51.474 3.658 11.659 1.00 0.00 ATOM 604 CB GLU A 80 50.232 2.996 11.131 1.00 0.00 ATOM 605 CG GLU A 80 50.494 2.034 9.989 1.00 0.00 ATOM 606 CD GLU A 80 49.203 1.417 9.440 1.00 0.00 ATOM 607 OE1 GLU A 80 48.145 2.110 9.433 1.00 0.00 ATOM 608 OE2 GLU A 80 49.245 0.239 9.002 1.00 0.00 ATOM 609 O GLU A 80 52.986 3.885 9.811 1.00 0.00 ATOM 610 C GLU A 80 52.067 4.389 10.462 1.00 0.00 ATOM 611 N LYS A 81 51.480 5.531 10.113 1.00 0.00 ATOM 612 CA LYS A 81 51.955 6.316 8.983 1.00 0.00 ATOM 613 CB LYS A 81 51.100 7.553 8.811 1.00 0.00 ATOM 614 CG LYS A 81 51.472 8.496 7.707 1.00 0.00 ATOM 615 CD LYS A 81 50.529 9.680 7.495 1.00 0.00 ATOM 616 CE LYS A 81 51.063 10.586 6.386 1.00 0.00 ATOM 617 NZ LYS A 81 50.408 11.928 6.322 1.00 0.00 ATOM 618 O LYS A 81 54.241 6.634 8.298 1.00 0.00 ATOM 619 C LYS A 81 53.404 6.748 9.200 1.00 0.00 ATOM 620 N THR A 82 53.700 7.186 10.432 1.00 0.00 ATOM 621 CA THR A 82 55.050 7.635 10.766 1.00 0.00 ATOM 622 CB THR A 82 54.935 8.360 12.184 1.00 0.00 ATOM 623 CG2 THR A 82 56.305 8.773 12.670 1.00 0.00 ATOM 624 OG1 THR A 82 54.107 9.515 12.042 1.00 0.00 ATOM 625 O THR A 82 57.249 6.709 10.497 1.00 0.00 ATOM 626 C THR A 82 56.080 6.507 10.834 1.00 0.00 ATOM 627 N VAL A 83 55.662 5.355 11.362 1.00 0.00 ATOM 628 CA VAL A 83 56.583 4.227 11.498 1.00 0.00 ATOM 629 CB VAL A 83 56.616 3.788 13.043 1.00 0.00 ATOM 630 CG1 VAL A 83 57.095 4.911 13.908 1.00 0.00 ATOM 631 CG2 VAL A 83 55.258 3.335 13.511 1.00 0.00 ATOM 632 O VAL A 83 55.068 2.993 10.103 1.00 0.00 ATOM 633 C VAL A 83 56.131 2.995 10.719 1.00 0.00 ATOM 634 N ASP A 84 56.968 1.959 10.742 1.00 0.00 ATOM 635 CA ASP A 84 56.735 0.747 9.975 1.00 0.00 ATOM 636 CB ASP A 84 57.957 -0.156 10.101 1.00 0.00 ATOM 637 CG ASP A 84 59.136 0.289 9.268 1.00 0.00 ATOM 638 OD1 ASP A 84 58.963 1.047 8.297 1.00 0.00 ATOM 639 OD2 ASP A 84 60.267 -0.137 9.548 1.00 0.00 ATOM 640 O ASP A 84 55.074 0.242 11.637 1.00 0.00 ATOM 641 C ASP A 84 55.552 -0.033 10.531 1.00 0.00 ATOM 642 N VAL A 85 55.061 -0.984 9.743 1.00 0.00 ATOM 643 CA VAL A 85 54.023 -1.886 10.217 1.00 0.00 ATOM 644 CB VAL A 85 53.691 -2.912 9.084 1.00 0.00 ATOM 645 CG1 VAL A 85 52.800 -4.029 9.616 1.00 0.00 ATOM 646 CG2 VAL A 85 53.008 -2.190 7.929 1.00 0.00 ATOM 647 O VAL A 85 53.694 -2.809 12.411 1.00 0.00 ATOM 648 C VAL A 85 54.472 -2.637 11.470 1.00 0.00 ATOM 649 N SER A 86 55.733 -3.075 11.493 1.00 0.00 ATOM 650 CA SER A 86 56.266 -3.795 12.642 1.00 0.00 ATOM 651 CB SER A 86 57.650 -4.331 12.359 1.00 0.00 ATOM 652 OG SER A 86 57.643 -5.326 11.373 1.00 0.00 ATOM 653 O SER A 86 55.976 -3.379 14.986 1.00 0.00 ATOM 654 C SER A 86 56.310 -2.928 13.897 1.00 0.00 ATOM 655 N ARG A 87 56.726 -1.679 13.748 1.00 0.00 ATOM 656 CA ARG A 87 56.785 -0.759 14.881 1.00 0.00 ATOM 657 CB ARG A 87 57.188 0.620 14.506 1.00 0.00 ATOM 658 CG ARG A 87 58.579 0.709 13.887 1.00 0.00 ATOM 659 CD ARG A 87 59.664 0.238 14.850 1.00 0.00 ATOM 660 NE ARG A 87 59.883 1.174 15.949 1.00 0.00 ATOM 661 CZ ARG A 87 60.529 2.330 15.834 1.00 0.00 ATOM 662 NH1 ARG A 87 61.029 2.704 14.661 1.00 0.00 ATOM 663 NH2 ARG A 87 60.677 3.114 16.895 1.00 0.00 ATOM 664 O ARG A 87 55.190 -0.386 16.626 1.00 0.00 ATOM 665 C ARG A 87 55.378 -0.500 15.418 1.00 0.00 ATOM 666 N LEU A 88 54.389 -0.407 14.536 1.00 0.00 ATOM 667 CA LEU A 88 53.017 -0.177 14.981 1.00 0.00 ATOM 668 CB LEU A 88 52.159 0.115 13.734 1.00 0.00 ATOM 669 CG LEU A 88 50.656 0.288 13.988 1.00 0.00 ATOM 670 CD1 LEU A 88 50.368 1.470 14.897 1.00 0.00 ATOM 671 CD2 LEU A 88 49.918 0.444 12.655 1.00 0.00 ATOM 672 O LEU A 88 51.855 -1.159 16.864 1.00 0.00 ATOM 673 C LEU A 88 52.554 -1.334 15.858 1.00 0.00 ATOM 674 N ARG A 89 52.929 -2.565 15.457 1.00 0.00 ATOM 675 CA ARG A 89 52.534 -3.754 16.220 1.00 0.00 ATOM 676 CB ARG A 89 52.956 -5.006 15.563 1.00 0.00 ATOM 677 CG ARG A 89 52.165 -5.431 14.314 1.00 0.00 ATOM 678 CD ARG A 89 52.399 -6.859 13.953 1.00 0.00 ATOM 679 NE ARG A 89 53.770 -7.068 13.479 1.00 0.00 ATOM 680 CZ ARG A 89 54.183 -6.820 12.231 1.00 0.00 ATOM 681 NH1 ARG A 89 53.352 -6.309 11.322 1.00 0.00 ATOM 682 NH2 ARG A 89 55.443 -7.083 11.886 1.00 0.00 ATOM 683 O ARG A 89 52.493 -4.007 18.601 1.00 0.00 ATOM 684 C ARG A 89 53.153 -3.699 17.611 1.00 0.00 ATOM 685 N ARG A 90 54.431 -3.309 17.697 1.00 0.00 ATOM 686 CA ARG A 90 55.112 -3.230 18.984 1.00 0.00 ATOM 687 CB ARG A 90 56.602 -2.935 18.765 1.00 0.00 ATOM 688 CG ARG A 90 57.402 -4.063 18.106 1.00 0.00 ATOM 689 CD ARG A 90 57.434 -5.320 18.975 1.00 0.00 ATOM 690 NE ARG A 90 57.758 -4.996 20.363 1.00 0.00 ATOM 691 CZ ARG A 90 57.937 -5.895 21.326 1.00 0.00 ATOM 692 NH1 ARG A 90 57.832 -7.191 21.064 1.00 0.00 ATOM 693 NH2 ARG A 90 58.198 -5.489 22.562 1.00 0.00 ATOM 694 O ARG A 90 54.282 -2.395 21.079 1.00 0.00 ATOM 695 C ARG A 90 54.447 -2.183 19.872 1.00 0.00 ATOM 696 N LEU A 91 54.053 -1.061 19.271 1.00 0.00 ATOM 697 CA LEU A 91 53.396 -0.001 20.026 1.00 0.00 ATOM 698 CB LEU A 91 53.257 1.246 19.150 1.00 0.00 ATOM 699 CG LEU A 91 54.558 1.961 18.777 1.00 0.00 ATOM 700 CD1 LEU A 91 54.293 3.066 17.766 1.00 0.00 ATOM 701 CD2 LEU A 91 55.201 2.584 20.006 1.00 0.00 ATOM 702 O LEU A 91 51.688 -0.175 21.698 1.00 0.00 ATOM 703 C LEU A 91 52.032 -0.424 20.544 1.00 0.00 ATOM 704 N VAL A 92 51.210 -1.039 19.722 1.00 0.00 ATOM 705 CA VAL A 92 49.891 -1.493 20.118 1.00 0.00 ATOM 706 CB VAL A 92 49.070 -2.071 18.950 1.00 0.00 ATOM 707 CG1 VAL A 92 47.762 -2.658 19.458 1.00 0.00 ATOM 708 CG2 VAL A 92 48.748 -0.982 17.937 1.00 0.00 ATOM 709 O VAL A 92 49.164 -2.534 22.081 1.00 0.00 ATOM 710 C VAL A 92 50.017 -2.579 21.206 1.00 0.00 ATOM 711 N THR A 93 50.986 -3.432 21.152 1.00 0.00 ATOM 712 CA THR A 93 51.173 -4.471 22.192 1.00 0.00 ATOM 713 CB THR A 93 52.303 -5.448 21.817 1.00 0.00 ATOM 714 CG2 THR A 93 52.506 -6.477 22.919 1.00 0.00 ATOM 715 OG1 THR A 93 51.967 -6.128 20.602 1.00 0.00 ATOM 716 O THR A 93 50.827 -4.074 24.571 1.00 0.00 ATOM 717 C THR A 93 51.514 -3.858 23.556 1.00 0.00 ATOM 718 N GLN A 94 52.466 -2.931 23.562 1.00 0.00 ATOM 719 CA GLN A 94 52.973 -2.384 24.829 1.00 0.00 ATOM 720 CB GLN A 94 54.320 -1.696 24.598 1.00 0.00 ATOM 721 CG GLN A 94 55.443 -2.646 24.213 1.00 0.00 ATOM 722 CD GLN A 94 56.745 -1.924 23.924 1.00 0.00 ATOM 723 OE1 GLN A 94 56.806 -0.696 23.964 1.00 0.00 ATOM 724 NE2 GLN A 94 57.791 -2.687 23.632 1.00 0.00 ATOM 725 O GLN A 94 51.956 -1.304 26.720 1.00 0.00 ATOM 726 C GLN A 94 52.069 -1.364 25.501 1.00 0.00 ATOM 727 N SER A 95 51.404 -0.523 24.684 1.00 0.00 ATOM 728 CA SER A 95 50.541 0.523 25.167 1.00 0.00 ATOM 729 CB SER A 95 51.013 1.902 24.755 1.00 0.00 ATOM 730 OG SER A 95 51.041 2.059 23.346 1.00 0.00 ATOM 731 O SER A 95 48.152 0.487 25.399 1.00 0.00 ATOM 732 C SER A 95 49.116 0.364 24.638 1.00 0.00 ATOM 733 N THR A 96 48.955 0.133 23.275 1.00 0.00 ATOM 734 CA THR A 96 47.634 0.014 22.657 1.00 0.00 ATOM 735 CB THR A 96 46.554 0.586 23.586 1.00 0.00 ATOM 736 CG2 THR A 96 46.533 -0.167 24.907 1.00 0.00 ATOM 737 OG1 THR A 96 46.821 1.975 23.840 1.00 0.00 ATOM 738 O THR A 96 48.531 1.522 21.054 1.00 0.00 ATOM 739 C THR A 96 47.519 0.955 21.433 1.00 0.00 ATOM 740 N PRO A 97 46.330 1.023 20.835 1.00 0.00 ATOM 741 CA PRO A 97 46.141 1.899 19.672 1.00 0.00 ATOM 742 CB PRO A 97 44.638 2.058 19.628 1.00 0.00 ATOM 743 CG PRO A 97 44.164 0.674 19.941 1.00 0.00 ATOM 744 CD PRO A 97 45.023 0.305 21.135 1.00 0.00 ATOM 745 O PRO A 97 46.565 3.777 21.065 1.00 0.00 ATOM 746 C PRO A 97 46.697 3.301 19.915 1.00 0.00 ENDMDL EXPDTA 2icpA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2icpA ATOM 1 N ARG 8 41.322 0.191 13.458 1.00 0.00 ATOM 2 CA ARG 8 40.777 1.489 13.949 1.00 0.00 ATOM 3 CB ARG 8 41.739 2.627 13.645 1.00 0.00 ATOM 4 CG ARG 8 41.347 3.923 14.328 1.00 0.00 ATOM 5 CD ARG 8 42.290 5.031 13.960 1.00 0.00 ATOM 6 NE ARG 8 43.679 4.606 14.077 1.00 0.00 ATOM 7 CZ ARG 8 44.673 5.214 13.456 1.00 0.00 ATOM 8 NH1 ARG 8 44.385 6.251 12.689 1.00 0.00 ATOM 9 NH2 ARG 8 45.923 4.787 13.590 1.00 0.00 ATOM 10 O ARG 8 38.558 2.386 14.043 1.00 0.00 ATOM 11 C ARG 8 39.409 1.829 13.356 1.00 0.00 ATOM 12 N PRO 9 39.180 1.511 12.072 1.00 0.00 ATOM 13 CA PRO 9 37.878 1.829 11.480 1.00 0.00 ATOM 14 CB PRO 9 37.938 1.111 10.135 1.00 0.00 ATOM 15 CG PRO 9 39.395 1.187 9.791 1.00 0.00 ATOM 16 CD PRO 9 40.021 0.784 11.102 1.00 0.00 ATOM 17 O PRO 9 35.711 2.053 12.483 1.00 0.00 ATOM 18 C PRO 9 36.717 1.358 12.344 1.00 0.00 ATOM 19 N GLY 10 36.869 0.177 12.931 1.00 0.00 ATOM 20 CA GLY 10 35.829 -0.365 13.784 1.00 0.00 ATOM 21 O GLY 10 34.389 0.618 15.425 1.00 0.00 ATOM 22 C GLY 10 35.534 0.541 14.961 1.00 0.00 ATOM 23 N ASP 11 36.564 1.227 15.454 1.00 0.00 ATOM 24 CA ASP 11 36.385 2.138 16.580 1.00 0.00 ATOM 25 CB ASP 11 37.736 2.653 17.087 1.00 0.00 ATOM 26 CG ASP 11 38.551 1.572 17.771 1.00 0.00 ATOM 27 OD1 ASP 11 38.004 0.896 18.665 1.00 0.00 ATOM 28 OD2 ASP 11 39.738 1.409 17.421 1.00 0.00 ATOM 29 O ASP 11 34.617 3.727 16.921 1.00 0.00 ATOM 30 C ASP 11 35.511 3.321 16.178 1.00 0.00 ATOM 31 N ILE 12 35.773 3.865 14.996 1.00 0.00 ATOM 32 CA ILE 12 34.998 5.001 14.506 1.00 0.00 ATOM 33 CB ILE 12 35.592 5.557 13.203 1.00 0.00 ATOM 34 CG1 ILE 12 37.038 6.000 13.445 1.00 0.00 ATOM 35 CG2 ILE 12 34.749 6.715 12.700 1.00 0.00 ATOM 36 CD1 ILE 12 37.204 6.957 14.613 1.00 0.00 ATOM 37 O ILE 12 32.624 5.358 14.533 1.00 0.00 ATOM 38 C ILE 12 33.549 4.589 14.263 1.00 0.00 ATOM 39 N ILE 13 33.355 3.377 13.752 1.00 0.00 ATOM 40 CA ILE 13 32.006 2.888 13.509 1.00 0.00 ATOM 41 CB ILE 13 32.005 1.497 12.833 1.00 0.00 ATOM 42 CG1 ILE 13 32.600 1.590 11.425 1.00 0.00 ATOM 43 CG2 ILE 13 30.582 0.948 12.779 1.00 0.00 ATOM 44 CD1 ILE 13 32.670 0.253 10.711 1.00 0.00 ATOM 45 O ILE 13 30.165 3.289 14.992 1.00 0.00 ATOM 46 C ILE 13 31.270 2.774 14.839 1.00 0.00 ATOM 47 N GLN 14 31.886 2.107 15.813 1.00 0.00 ATOM 48 CA GLN 14 31.235 1.947 17.111 1.00 0.00 ATOM 49 CB GLN 14 32.063 1.035 18.028 1.00 0.00 ATOM 50 CG GLN 14 31.418 0.791 19.391 1.00 0.00 ATOM 51 CD GLN 14 29.971 0.307 19.295 1.00 0.00 ATOM 52 OE1 GLN 14 29.695 -0.792 18.819 1.00 0.00 ATOM 53 NE2 GLN 14 29.046 1.135 19.749 1.00 0.00 ATOM 54 O GLN 14 29.973 3.463 18.475 1.00 0.00 ATOM 55 C GLN 14 30.982 3.292 17.791 1.00 0.00 ATOM 56 N GLU 15 31.887 4.248 17.605 1.00 0.00 ATOM 57 CA GLU 15 31.708 5.561 18.211 1.00 0.00 ATOM 58 CB GLU 15 32.948 6.434 17.999 1.00 0.00 ATOM 59 CG GLU 15 34.182 5.948 18.742 1.00 0.00 ATOM 60 CD GLU 15 35.382 6.847 18.526 1.00 0.00 ATOM 61 OE1 GLU 15 35.779 7.039 17.356 1.00 0.00 ATOM 62 OE2 GLU 15 35.929 7.362 19.523 1.00 0.00 ATOM 63 O GLU 15 29.733 6.925 18.282 1.00 0.00 ATOM 64 C GLU 15 30.488 6.240 17.595 1.00 0.00 ATOM 65 N SER 16 30.296 6.041 16.295 1.00 0.00 ATOM 66 CA SER 16 29.151 6.631 15.607 1.00 0.00 ATOM 67 CB SER 16 29.282 6.418 14.098 1.00 0.00 ATOM 68 OG SER 16 30.506 6.946 13.614 1.00 0.00 ATOM 69 O SER 16 26.858 6.661 16.345 1.00 0.00 ATOM 70 C SER 16 27.867 5.984 16.127 1.00 0.00 ATOM 71 N LEU 17 27.913 4.670 16.329 1.00 0.00 ATOM 72 CA LEU 17 26.767 3.932 16.835 1.00 0.00 ATOM 73 CB LEU 17 27.041 2.426 16.762 1.00 0.00 ATOM 74 CG LEU 17 27.215 1.860 15.346 1.00 0.00 ATOM 75 CD1 LEU 17 27.515 0.367 15.432 1.00 0.00 ATOM 76 CD2 LEU 17 25.943 2.108 14.523 1.00 0.00 ATOM 77 O LEU 17 25.248 4.437 18.634 1.00 0.00 ATOM 78 C LEU 17 26.424 4.336 18.276 1.00 0.00 ATOM 79 N ASP 18 27.445 4.561 19.100 1.00 0.00 ATOM 80 CA ASP 18 27.213 4.967 20.484 1.00 0.00 ATOM 81 CB ASP 18 28.534 5.128 21.244 1.00 0.00 ATOM 82 CG ASP 18 29.312 3.830 21.352 1.00 0.00 ATOM 83 OD1 ASP 18 28.677 2.774 21.562 1.00 0.00 ATOM 84 OD2 ASP 18 30.555 3.863 21.242 1.00 0.00 ATOM 85 O ASP 18 25.539 6.473 21.318 1.00 0.00 ATOM 86 C ASP 18 26.455 6.288 20.514 1.00 0.00 ATOM 87 N GLU 19 26.838 7.202 19.629 1.00 0.00 ATOM 88 CA GLU 19 26.190 8.503 19.563 1.00 0.00 ATOM 89 CB GLU 19 26.908 9.396 18.549 1.00 0.00 ATOM 90 CG GLU 19 26.491 10.850 18.633 1.00 0.00 ATOM 91 CD GLU 19 26.811 11.456 19.985 1.00 0.00 ATOM 92 OE1 GLU 19 28.005 11.700 20.260 1.00 0.00 ATOM 93 OE2 GLU 19 25.871 11.677 20.779 1.00 0.00 ATOM 94 O GLU 19 23.886 9.166 19.591 1.00 0.00 ATOM 95 C GLU 19 24.719 8.363 19.179 1.00 0.00 ATOM 96 N LEU 20 24.410 7.340 18.388 1.00 0.00 ATOM 97 CA LEU 20 23.038 7.092 17.946 1.00 0.00 ATOM 98 CB LEU 20 23.046 6.419 16.573 1.00 0.00 ATOM 99 CG LEU 20 23.650 7.196 15.402 1.00 0.00 ATOM 100 CD1 LEU 20 23.934 6.230 14.249 1.00 0.00 ATOM 101 CD2 LEU 20 22.697 8.305 14.973 1.00 0.00 ATOM 102 O LEU 20 21.054 6.036 18.782 1.00 0.00 ATOM 103 C LEU 20 22.270 6.198 18.913 1.00 0.00 ATOM 104 N ASN 21 22.977 5.614 19.876 1.00 0.00 ATOM 105 CA ASN 21 22.360 4.711 20.841 1.00 0.00 ATOM 106 CB ASN 21 21.157 5.373 21.525 1.00 0.00 ATOM 107 CG ASN 21 21.527 6.649 22.241 1.00 0.00 ATOM 108 ND2 ASN 21 20.837 7.734 21.918 1.00 0.00 ATOM 109 OD1 ASN 21 22.425 6.660 23.086 1.00 0.00 ATOM 110 O ASN 21 20.971 2.776 20.558 1.00 0.00 ATOM 111 C ASN 21 21.896 3.450 20.115 1.00 0.00 ATOM 112 N VAL 22 22.543 3.144 18.995 1.00 0.00 ATOM 113 CA VAL 22 22.199 1.971 18.199 1.00 0.00 ATOM 114 CB VAL 22 22.412 2.251 16.689 1.00 0.00 ATOM 115 CG1 VAL 22 22.362 0.947 15.896 1.00 0.00 ATOM 116 CG2 VAL 22 21.335 3.210 16.188 1.00 0.00 ATOM 117 O VAL 22 24.251 0.868 18.747 1.00 0.00 ATOM 118 C VAL 22 23.035 0.769 18.620 1.00 0.00 ATOM 119 N SER 23 22.377 -0.366 18.833 1.00 0.00 ATOM 120 CA SER 23 23.065 -1.582 19.254 1.00 0.00 ATOM 121 CB SER 23 22.114 -2.506 20.014 1.00 0.00 ATOM 122 OG SER 23 21.191 -3.111 19.121 1.00 0.00 ATOM 123 O SER 23 23.364 -2.044 16.922 1.00 0.00 ATOM 124 C SER 23 23.640 -2.349 18.082 1.00 0.00 ATOM 125 N LEU 24 24.432 -3.366 18.402 1.00 0.00 ATOM 126 CA LEU 24 25.059 -4.213 17.401 1.00 0.00 ATOM 127 CB LEU 24 25.907 -5.283 18.100 1.00 0.00 ATOM 128 CG LEU 24 26.648 -6.339 17.264 1.00 0.00 ATOM 129 CD1 LEU 24 25.679 -7.406 16.784 1.00 0.00 ATOM 130 CD2 LEU 24 27.359 -5.667 16.098 1.00 0.00 ATOM 131 O LEU 24 24.142 -4.810 15.265 1.00 0.00 ATOM 132 C LEU 24 24.020 -4.866 16.490 1.00 0.00 ATOM 133 N ARG 25 22.990 -5.471 17.077 1.00 0.00 ATOM 134 CA ARG 25 21.966 -6.131 16.275 1.00 0.00 ATOM 135 CB ARG 25 21.012 -6.913 17.175 1.00 0.00 ATOM 136 CG ARG 25 21.667 -8.138 17.772 1.00 0.00 ATOM 137 CD ARG 25 20.761 -8.884 18.723 1.00 0.00 ATOM 138 NE ARG 25 21.408 -10.108 19.186 1.00 0.00 ATOM 139 CZ ARG 25 20.963 -10.867 20.179 1.00 0.00 ATOM 140 NH1 ARG 25 19.858 -10.538 20.834 1.00 0.00 ATOM 141 NH2 ARG 25 21.626 -11.962 20.515 1.00 0.00 ATOM 142 O ARG 25 20.833 -5.513 14.249 1.00 0.00 ATOM 143 C ARG 25 21.190 -5.170 15.379 1.00 0.00 ATOM 144 N GLU 26 20.935 -3.966 15.874 1.00 0.00 ATOM 145 CA GLU 26 20.216 -2.979 15.087 1.00 0.00 ATOM 146 CB GLU 26 19.819 -1.802 15.978 1.00 0.00 ATOM 147 CG GLU 26 18.714 -2.160 16.956 1.00 0.00 ATOM 148 CD GLU 26 18.541 -1.141 18.064 1.00 0.00 ATOM 149 OE1 GLU 26 17.500 -1.190 18.742 1.00 0.00 ATOM 150 OE2 GLU 26 19.445 -0.301 18.261 1.00 0.00 ATOM 151 O GLU 26 20.632 -2.269 12.821 1.00 0.00 ATOM 152 C GLU 26 21.108 -2.523 13.933 1.00 0.00 ATOM 153 N PHE 27 22.408 -2.432 14.200 1.00 0.00 ATOM 154 CA PHE 27 23.379 -2.035 13.184 1.00 0.00 ATOM 155 CB PHE 27 24.755 -1.856 13.834 1.00 0.00 ATOM 156 CG PHE 27 25.876 -1.662 12.854 1.00 0.00 ATOM 157 CD1 PHE 27 25.826 -0.645 11.900 1.00 0.00 ATOM 158 CD2 PHE 27 27.000 -2.480 12.902 1.00 0.00 ATOM 159 CE1 PHE 27 26.882 -0.444 11.014 1.00 0.00 ATOM 160 CE2 PHE 27 28.063 -2.287 12.014 1.00 0.00 ATOM 161 CZ PHE 27 28.005 -1.266 11.071 1.00 0.00 ATOM 162 O PHE 27 23.378 -2.774 10.889 1.00 0.00 ATOM 163 C PHE 27 23.458 -3.093 12.080 1.00 0.00 ATOM 164 N ALA 28 23.613 -4.352 12.477 1.00 0.00 ATOM 165 CA ALA 28 23.707 -5.444 11.514 1.00 0.00 ATOM 166 CB ALA 28 23.924 -6.765 12.236 1.00 0.00 ATOM 167 O ALA 28 22.499 -5.739 9.455 1.00 0.00 ATOM 168 C ALA 28 22.441 -5.510 10.663 1.00 0.00 ATOM 169 N ARG 29 21.301 -5.292 11.306 1.00 0.00 ATOM 170 CA ARG 29 20.009 -5.325 10.631 1.00 0.00 ATOM 171 CB ARG 29 18.896 -5.105 11.653 1.00 0.00 ATOM 172 CG ARG 29 17.485 -5.195 11.108 1.00 0.00 ATOM 173 CD ARG 29 16.500 -4.914 12.225 1.00 0.00 ATOM 174 NE ARG 29 16.759 -5.774 13.376 1.00 0.00 ATOM 175 CZ ARG 29 16.435 -5.471 14.628 1.00 0.00 ATOM 176 NH1 ARG 29 15.834 -4.319 14.901 1.00 0.00 ATOM 177 NH2 ARG 29 16.720 -6.316 15.608 1.00 0.00 ATOM 178 O ARG 29 19.528 -4.570 8.405 1.00 0.00 ATOM 179 C ARG 29 19.920 -4.268 9.532 1.00 0.00 ATOM 180 N ALA 30 20.281 -3.031 9.867 1.00 0.00 ATOM 181 CA ALA 30 20.247 -1.929 8.908 1.00 0.00 ATOM 182 CB ALA 30 20.491 -0.603 9.629 1.00 0.00 ATOM 183 O ALA 30 21.038 -1.733 6.641 1.00 0.00 ATOM 184 C ALA 30 21.276 -2.114 7.792 1.00 0.00 ATOM 185 N MET 31 22.419 -2.699 8.134 1.00 0.00 ATOM 186 CA MET 31 23.493 -2.951 7.176 1.00 0.00 ATOM 187 CB MET 31 24.808 -3.225 7.915 1.00 0.00 ATOM 188 CG MET 31 25.420 -2.022 8.588 1.00 0.00 ATOM 189 SD MET 31 26.228 -0.841 7.309 1.00 0.00 ATOM 190 CE MET 31 27.756 -1.922 6.817 1.00 0.00 ATOM 191 O MET 31 23.835 -4.394 5.294 1.00 0.00 ATOM 192 C MET 31 23.179 -4.164 6.312 1.00 0.00 ATOM 193 N GLU 32 22.174 -4.930 6.721 1.00 0.00 ATOM 194 CA GLU 32 21.796 -6.141 6.012 1.00 0.00 ATOM 195 CB GLU 32 21.377 -5.823 4.563 1.00 0.00 ATOM 196 CG GLU 32 19.952 -5.289 4.441 1.00 0.00 ATOM 197 CD GLU 32 19.541 -4.986 3.006 1.00 0.00 ATOM 198 OE1 GLU 32 20.248 -5.420 2.073 1.00 0.00 ATOM 199 OE2 GLU 32 18.497 -4.318 2.819 1.00 0.00 ATOM 200 O GLU 32 23.343 -7.706 5.004 1.00 0.00 ATOM 201 C GLU 32 22.959 -7.139 6.032 1.00 0.00 ATOM 202 N ILE 33 23.532 -7.322 7.219 1.00 0.00 ATOM 203 CA ILE 33 24.621 -8.269 7.423 1.00 0.00 ATOM 204 CB ILE 33 25.997 -7.566 7.601 1.00 0.00 ATOM 205 CG1 ILE 33 25.947 -6.598 8.793 1.00 0.00 ATOM 206 CG2 ILE 33 26.380 -6.835 6.310 1.00 0.00 ATOM 207 CD1 ILE 33 27.264 -5.874 9.059 1.00 0.00 ATOM 208 O ILE 33 23.470 -8.661 9.497 1.00 0.00 ATOM 209 C ILE 33 24.309 -9.067 8.685 1.00 0.00 ATOM 210 N ALA 34 24.970 -10.209 8.842 1.00 0.00 ATOM 211 CA ALA 34 24.754 -11.055 10.007 1.00 0.00 ATOM 212 CB ALA 34 25.326 -12.453 9.758 1.00 0.00 ATOM 213 O ALA 34 26.383 -9.688 11.116 1.00 0.00 ATOM 214 C ALA 34 25.409 -10.427 11.232 1.00 0.00 ATOM 215 N PRO 35 24.871 -10.712 12.428 1.00 0.00 ATOM 216 CA PRO 35 25.405 -10.173 13.682 1.00 0.00 ATOM 217 CB PRO 35 24.578 -10.890 14.745 1.00 0.00 ATOM 218 CG PRO 35 23.262 -11.111 14.064 1.00 0.00 ATOM 219 CD PRO 35 23.671 -11.534 12.673 1.00 0.00 ATOM 220 O PRO 35 27.666 -9.558 14.251 1.00 0.00 ATOM 221 C PRO 35 26.902 -10.442 13.842 1.00 0.00 ATOM 222 N SER 36 27.314 -11.668 13.524 1.00 0.00 ATOM 223 CA SER 36 28.713 -12.066 13.641 1.00 0.00 ATOM 224 CB SER 36 28.865 -13.570 13.378 1.00 0.00 ATOM 225 OG SER 36 28.470 -13.908 12.057 1.00 0.00 ATOM 226 O SER 36 30.746 -10.962 13.029 1.00 0.00 ATOM 227 C SER 36 29.604 -11.276 12.693 1.00 0.00 ATOM 228 N THR 37 29.088 -10.956 11.507 1.00 0.00 ATOM 229 CA THR 37 29.851 -10.179 10.534 1.00 0.00 ATOM 230 CB THR 37 29.143 -10.127 9.162 1.00 0.00 ATOM 231 CG2 THR 37 29.859 -9.161 8.225 1.00 0.00 ATOM 232 OG1 THR 37 29.129 -11.434 8.584 1.00 0.00 ATOM 233 O THR 37 31.054 -8.130 10.893 1.00 0.00 ATOM 234 C THR 37 30.002 -8.749 11.048 1.00 0.00 ATOM 235 N ALA 38 28.940 -8.235 11.656 1.00 0.00 ATOM 236 CA ALA 38 28.949 -6.886 12.211 1.00 0.00 ATOM 237 CB ALA 38 27.575 -6.544 12.785 1.00 0.00 ATOM 238 O ALA 38 30.802 -5.850 13.335 1.00 0.00 ATOM 239 C ALA 38 30.011 -6.794 13.307 1.00 0.00 ATOM 240 N SER 39 30.018 -7.785 14.198 1.00 0.00 ATOM 241 CA SER 39 30.985 -7.830 15.296 1.00 0.00 ATOM 242 CB SER 39 30.736 -9.050 16.189 1.00 0.00 ATOM 243 OG SER 39 29.467 -8.984 16.812 1.00 0.00 ATOM 244 O SER 39 33.295 -7.197 15.284 1.00 0.00 ATOM 245 C SER 39 32.415 -7.886 14.772 1.00 0.00 ATOM 246 N ARG 40 32.642 -8.718 13.757 1.00 0.00 ATOM 247 CA ARG 40 33.969 -8.860 13.165 1.00 0.00 ATOM 248 CB ARG 40 33.968 -9.945 12.082 1.00 0.00 ATOM 249 CG ARG 40 33.958 -11.379 12.613 1.00 0.00 ATOM 250 CD ARG 40 34.216 -12.384 11.493 1.00 0.00 ATOM 251 NE ARG 40 33.076 -12.541 10.588 1.00 0.00 ATOM 252 CZ ARG 40 32.015 -13.300 10.845 1.00 0.00 ATOM 253 NH1 ARG 40 31.942 -13.979 11.982 1.00 0.00 ATOM 254 NH2 ARG 40 31.028 -13.386 9.963 1.00 0.00 ATOM 255 O ARG 40 35.613 -7.213 12.563 1.00 0.00 ATOM 256 C ARG 40 34.425 -7.538 12.561 1.00 0.00 ATOM 257 N LEU 41 33.471 -6.774 12.044 1.00 0.00 ATOM 258 CA LEU 41 33.773 -5.484 11.443 1.00 0.00 ATOM 259 CB LEU 41 32.552 -4.967 10.676 1.00 0.00 ATOM 260 CG LEU 41 32.728 -3.671 9.885 1.00 0.00 ATOM 261 CD1 LEU 41 33.766 -3.884 8.792 1.00 0.00 ATOM 262 CD2 LEU 41 31.396 -3.250 9.281 1.00 0.00 ATOM 263 O LEU 41 35.186 -3.817 12.445 1.00 0.00 ATOM 264 C LEU 41 34.160 -4.489 12.536 1.00 0.00 ATOM 265 N LEU 42 33.338 -4.410 13.578 1.00 0.00 ATOM 266 CA LEU 42 33.589 -3.497 14.690 1.00 0.00 ATOM 267 CB LEU 42 32.408 -3.527 15.664 1.00 0.00 ATOM 268 CG LEU 42 31.209 -2.602 15.407 1.00 0.00 ATOM 269 CD1 LEU 42 30.901 -2.506 13.924 1.00 0.00 ATOM 270 CD2 LEU 42 30.004 -3.127 16.176 1.00 0.00 ATOM 271 O LEU 42 35.540 -2.838 15.927 1.00 0.00 ATOM 272 C LEU 42 34.891 -3.771 15.453 1.00 0.00 ATOM 273 N THR 43 35.275 -5.040 15.574 1.00 0.00 ATOM 274 CA THR 43 36.494 -5.388 16.305 1.00 0.00 ATOM 275 CB THR 43 36.396 -6.793 16.934 1.00 0.00 ATOM 276 CG2 THR 43 35.276 -6.839 17.949 1.00 0.00 ATOM 277 OG1 THR 43 36.153 -7.767 15.911 1.00 0.00 ATOM 278 O THR 43 38.865 -5.464 15.954 1.00 0.00 ATOM 279 C THR 43 37.749 -5.334 15.444 1.00 0.00 ATOM 280 N GLY 44 37.574 -5.137 14.142 1.00 0.00 ATOM 281 CA GLY 44 38.718 -5.071 13.254 1.00 0.00 ATOM 282 O GLY 44 40.168 -6.570 12.081 1.00 0.00 ATOM 283 C GLY 44 39.160 -6.441 12.778 1.00 0.00 ATOM 284 N LYS 45 38.406 -7.470 13.150 1.00 0.00 ATOM 285 CA LYS 45 38.736 -8.830 12.747 1.00 0.00 ATOM 286 CB LYS 45 38.010 -9.835 13.645 1.00 0.00 ATOM 287 CG LYS 45 38.470 -9.787 15.094 1.00 0.00 ATOM 288 CD LYS 45 37.730 -10.796 15.958 1.00 0.00 ATOM 289 CE LYS 45 38.337 -10.882 17.354 1.00 0.00 ATOM 290 NZ LYS 45 38.351 -9.568 18.057 1.00 0.00 ATOM 291 O LYS 45 38.761 -10.079 10.695 1.00 0.00 ATOM 292 C LYS 45 38.377 -9.069 11.282 1.00 0.00 ATOM 293 N ALA 46 37.650 -8.126 10.695 1.00 0.00 ATOM 294 CA ALA 46 37.247 -8.225 9.295 1.00 0.00 ATOM 295 CB ALA 46 35.776 -8.604 9.202 1.00 0.00 ATOM 296 O ALA 46 36.923 -5.874 8.967 1.00 0.00 ATOM 297 C ALA 46 37.491 -6.896 8.590 1.00 0.00 ATOM 298 N ALA 47 38.335 -6.914 7.564 1.00 0.00 ATOM 299 CA ALA 47 38.649 -5.707 6.811 1.00 0.00 ATOM 300 CB ALA 47 39.614 -6.036 5.680 1.00 0.00 ATOM 301 O ALA 47 36.399 -5.709 5.962 1.00 0.00 ATOM 302 C ALA 47 37.392 -5.045 6.248 1.00 0.00 ATOM 303 N LEU 48 37.447 -3.728 6.095 1.00 0.00 ATOM 304 CA LEU 48 36.330 -2.960 5.561 1.00 0.00 ATOM 305 CB LEU 48 36.363 -1.539 6.138 1.00 0.00 ATOM 306 CG LEU 48 35.151 -0.619 6.002 1.00 0.00 ATOM 307 CD1 LEU 48 35.302 0.541 6.975 1.00 0.00 ATOM 308 CD2 LEU 48 35.015 -0.118 4.575 1.00 0.00 ATOM 309 O LEU 48 37.287 -2.187 3.493 1.00 0.00 ATOM 310 C LEU 48 36.469 -2.932 4.039 1.00 0.00 ATOM 311 N THR 49 35.673 -3.761 3.365 1.00 0.00 ATOM 312 CA THR 49 35.698 -3.863 1.908 1.00 0.00 ATOM 313 CB THR 49 35.109 -5.213 1.445 1.00 0.00 ATOM 314 CG2 THR 49 35.809 -6.368 2.146 1.00 0.00 ATOM 315 OG1 THR 49 33.708 -5.254 1.758 1.00 0.00 ATOM 316 O THR 49 34.172 -2.004 1.876 1.00 0.00 ATOM 317 C THR 49 34.911 -2.746 1.226 1.00 0.00 ATOM 318 N PRO 50 35.067 -2.605 -0.101 1.00 0.00 ATOM 319 CA PRO 50 34.339 -1.556 -0.822 1.00 0.00 ATOM 320 CB PRO 50 34.761 -1.782 -2.271 1.00 0.00 ATOM 321 CG PRO 50 36.183 -2.246 -2.114 1.00 0.00 ATOM 322 CD PRO 50 36.058 -3.251 -0.983 1.00 0.00 ATOM 323 O PRO 50 32.164 -0.629 -0.460 1.00 0.00 ATOM 324 C PRO 50 32.825 -1.647 -0.628 1.00 0.00 ATOM 325 N GLU 51 32.277 -2.860 -0.655 1.00 0.00 ATOM 326 CA GLU 51 30.839 -3.018 -0.464 1.00 0.00 ATOM 327 CB GLU 51 30.401 -4.476 -0.618 1.00 0.00 ATOM 328 CG GLU 51 28.906 -4.635 -0.390 1.00 0.00 ATOM 329 CD GLU 51 28.516 -6.006 0.109 1.00 0.00 ATOM 330 OE1 GLU 51 29.200 -6.526 1.018 1.00 0.00 ATOM 331 OE2 GLU 51 27.514 -6.555 -0.395 1.00 0.00 ATOM 332 O GLU 51 29.439 -1.841 1.095 1.00 0.00 ATOM 333 C GLU 51 30.445 -2.531 0.924 1.00 0.00 ATOM 334 N MET 52 31.240 -2.896 1.926 1.00 0.00 ATOM 335 CA MET 52 30.962 -2.467 3.291 1.00 0.00 ATOM 336 CB MET 52 31.928 -3.141 4.271 1.00 0.00 ATOM 337 CG MET 52 31.568 -4.583 4.558 1.00 0.00 ATOM 338 SD MET 52 29.898 -4.743 5.539 1.00 0.00 ATOM 339 CE MET 52 30.547 -5.782 7.029 1.00 0.00 ATOM 340 O MET 52 30.298 -0.334 4.140 1.00 0.00 ATOM 341 C MET 52 31.064 -0.950 3.411 1.00 0.00 ATOM 342 N ALA 53 32.006 -0.355 2.683 1.00 0.00 ATOM 343 CA ALA 53 32.184 1.095 2.714 1.00 0.00 ATOM 344 CB ALA 53 33.392 1.495 1.871 1.00 0.00 ATOM 345 O ALA 53 30.453 2.768 2.741 1.00 0.00 ATOM 346 C ALA 53 30.924 1.775 2.184 1.00 0.00 ATOM 347 N ILE 54 30.388 1.235 1.097 1.00 0.00 ATOM 348 CA ILE 54 29.169 1.784 0.506 1.00 0.00 ATOM 349 CB ILE 54 28.831 1.050 -0.809 1.00 0.00 ATOM 350 CG1 ILE 54 29.903 1.384 -1.855 1.00 0.00 ATOM 351 CG2 ILE 54 27.430 1.442 -1.294 1.00 0.00 ATOM 352 CD1 ILE 54 29.760 0.621 -3.146 1.00 0.00 ATOM 353 O ILE 54 27.245 2.627 1.687 1.00 0.00 ATOM 354 C ILE 54 27.998 1.668 1.485 1.00 0.00 ATOM 355 N LYS 55 27.848 0.497 2.098 1.00 0.00 ATOM 356 CA LYS 55 26.770 0.287 3.060 1.00 0.00 ATOM 357 CB LYS 55 26.774 -1.164 3.556 1.00 0.00 ATOM 358 CG LYS 55 26.225 -2.174 2.548 1.00 0.00 ATOM 359 CD LYS 55 25.985 -3.532 3.205 1.00 0.00 ATOM 360 CE LYS 55 25.063 -4.400 2.363 1.00 0.00 ATOM 361 NZ LYS 55 24.707 -5.674 3.047 1.00 0.00 ATOM 362 O LYS 55 25.852 1.792 4.694 1.00 0.00 ATOM 363 C LYS 55 26.860 1.242 4.254 1.00 0.00 ATOM 364 N LEU 56 28.072 1.426 4.778 1.00 0.00 ATOM 365 CA LEU 56 28.294 2.327 5.914 1.00 0.00 ATOM 366 CB LEU 56 29.765 2.281 6.353 1.00 0.00 ATOM 367 CG LEU 56 30.203 1.035 7.123 1.00 0.00 ATOM 368 CD1 LEU 56 31.716 0.970 7.194 1.00 0.00 ATOM 369 CD2 LEU 56 29.600 1.067 8.525 1.00 0.00 ATOM 370 O LEU 56 27.386 4.501 6.381 1.00 0.00 ATOM 371 C LEU 56 27.935 3.766 5.557 1.00 0.00 ATOM 372 N SER 57 28.264 4.166 4.330 1.00 0.00 ATOM 373 CA SER 57 27.971 5.514 3.864 1.00 0.00 ATOM 374 CB SER 57 28.520 5.730 2.449 1.00 0.00 ATOM 375 OG SER 57 28.110 6.988 1.942 1.00 0.00 ATOM 376 O SER 57 26.039 6.879 4.221 1.00 0.00 ATOM 377 C SER 57 26.472 5.787 3.865 1.00 0.00 ATOM 378 N VAL 58 25.686 4.797 3.465 1.00 0.00 ATOM 379 CA VAL 58 24.234 4.953 3.434 1.00 0.00 ATOM 380 CB VAL 58 23.567 3.902 2.514 1.00 0.00 ATOM 381 CG1 VAL 58 22.063 4.122 2.493 1.00 0.00 ATOM 382 CG2 VAL 58 24.137 3.993 1.110 1.00 0.00 ATOM 383 O VAL 58 22.784 5.629 5.240 1.00 0.00 ATOM 384 C VAL 58 23.606 4.806 4.820 1.00 0.00 ATOM 385 N VAL 59 24.000 3.753 5.527 1.00 0.00 ATOM 386 CA VAL 59 23.453 3.467 6.845 1.00 0.00 ATOM 387 CB VAL 59 23.764 2.008 7.252 1.00 0.00 ATOM 388 CG1 VAL 59 23.278 1.741 8.673 1.00 0.00 ATOM 389 CG2 VAL 59 23.086 1.054 6.277 1.00 0.00 ATOM 390 O VAL 59 23.079 4.873 8.750 1.00 0.00 ATOM 391 C VAL 59 23.902 4.412 7.962 1.00 0.00 ATOM 392 N ILE 60 25.196 4.699 8.038 1.00 0.00 ATOM 393 CA ILE 60 25.692 5.594 9.079 1.00 0.00 ATOM 394 CB ILE 60 27.027 5.068 9.685 1.00 0.00 ATOM 395 CG1 ILE 60 26.773 3.748 10.416 1.00 0.00 ATOM 396 CG2 ILE 60 27.604 6.095 10.647 1.00 0.00 ATOM 397 CD1 ILE 60 28.022 3.113 11.024 1.00 0.00 ATOM 398 O ILE 60 25.289 7.956 9.066 1.00 0.00 ATOM 399 C ILE 60 25.889 7.013 8.553 1.00 0.00 ATOM 400 N GLY 61 26.720 7.169 7.529 1.00 0.00 ATOM 401 CA GLY 61 26.945 8.497 6.984 1.00 0.00 ATOM 402 O GLY 61 29.045 7.698 6.178 1.00 0.00 ATOM 403 C GLY 61 28.297 8.661 6.319 1.00 0.00 ATOM 404 N SER 62 28.604 9.899 5.940 1.00 0.00 ATOM 405 CA SER 62 29.853 10.250 5.268 1.00 0.00 ATOM 406 CB SER 62 31.057 9.883 6.142 1.00 0.00 ATOM 407 OG SER 62 32.258 10.418 5.594 1.00 0.00 ATOM 408 O SER 62 28.933 8.996 3.448 1.00 0.00 ATOM 409 C SER 62 29.930 9.536 3.920 1.00 0.00 ATOM 410 N SER 63 31.105 9.541 3.295 1.00 0.00 ATOM 411 CA SER 63 31.290 8.908 1.991 1.00 0.00 ATOM 412 CB SER 63 32.132 9.812 1.095 1.00 0.00 ATOM 413 OG SER 63 33.434 9.941 1.633 1.00 0.00 ATOM 414 O SER 63 32.625 7.230 3.077 1.00 0.00 ATOM 415 C SER 63 31.969 7.546 2.078 1.00 0.00 ATOM 416 N PRO 64 31.832 6.721 1.027 1.00 0.00 ATOM 417 CA PRO 64 32.453 5.394 1.014 1.00 0.00 ATOM 418 CB PRO 64 32.036 4.830 -0.345 1.00 0.00 ATOM 419 CG PRO 64 30.730 5.515 -0.610 1.00 0.00 ATOM 420 CD PRO 64 31.017 6.928 -0.182 1.00 0.00 ATOM 421 O PRO 64 34.618 4.712 1.821 1.00 0.00 ATOM 422 C PRO 64 33.973 5.513 1.143 1.00 0.00 ATOM 423 N GLN 65 34.534 6.524 0.487 1.00 0.00 ATOM 424 CA GLN 65 35.976 6.749 0.522 1.00 0.00 ATOM 425 CB GLN 65 36.355 7.897 -0.415 1.00 0.00 ATOM 426 CG GLN 65 37.859 8.112 -0.565 1.00 0.00 ATOM 427 CD GLN 65 38.565 6.920 -1.189 1.00 0.00 ATOM 428 OE1 GLN 65 38.682 5.858 -0.576 1.00 0.00 ATOM 429 NE2 GLN 65 39.035 7.090 -2.420 1.00 0.00 ATOM 430 O GLN 65 37.518 6.590 2.349 1.00 0.00 ATOM 431 C GLN 65 36.459 7.060 1.935 1.00 0.00 ATOM 432 N MET 66 35.690 7.855 2.677 1.00 0.00 ATOM 433 CA MET 66 36.080 8.195 4.040 1.00 0.00 ATOM 434 CB MET 66 35.004 9.048 4.719 1.00 0.00 ATOM 435 CG MET 66 35.373 9.552 6.120 1.00 0.00 ATOM 436 SD MET 66 35.353 8.221 7.547 1.00 0.00 ATOM 437 CE MET 66 33.458 7.969 7.706 1.00 0.00 ATOM 438 O MET 66 37.329 6.743 5.482 1.00 0.00 ATOM 439 C MET 66 36.302 6.909 4.827 1.00 0.00 ATOM 440 N TRP 67 35.341 5.993 4.758 1.00 0.00 ATOM 441 CA TRP 67 35.463 4.728 5.472 1.00 0.00 ATOM 442 CB TRP 67 34.165 3.924 5.365 1.00 0.00 ATOM 443 CG TRP 67 33.007 4.562 6.070 1.00 0.00 ATOM 444 CD1 TRP 67 31.923 5.158 5.493 1.00 0.00 ATOM 445 CD2 TRP 67 32.825 4.684 7.488 1.00 0.00 ATOM 446 CE2 TRP 67 31.600 5.360 7.694 1.00 0.00 ATOM 447 CE3 TRP 67 33.575 4.279 8.603 1.00 0.00 ATOM 448 NE1 TRP 67 31.074 5.640 6.463 1.00 0.00 ATOM 449 CZ2 TRP 67 31.113 5.654 8.972 1.00 0.00 ATOM 450 CZ3 TRP 67 33.091 4.568 9.873 1.00 0.00 ATOM 451 CH2 TRP 67 31.866 5.247 10.048 1.00 0.00 ATOM 452 O TRP 67 37.346 3.272 5.729 1.00 0.00 ATOM 453 C TRP 67 36.627 3.888 4.949 1.00 0.00 ATOM 454 N LEU 68 36.812 3.855 3.633 1.00 0.00 ATOM 455 CA LEU 68 37.906 3.084 3.056 1.00 0.00 ATOM 456 CB LEU 68 37.794 3.030 1.533 1.00 0.00 ATOM 457 CG LEU 68 36.822 2.012 0.927 1.00 0.00 ATOM 458 CD1 LEU 68 37.009 1.983 -0.585 1.00 0.00 ATOM 459 CD2 LEU 68 37.086 0.624 1.517 1.00 0.00 ATOM 460 O LEU 68 40.213 2.912 3.688 1.00 0.00 ATOM 461 C LEU 68 39.265 3.658 3.446 1.00 0.00 ATOM 462 N ASN 69 39.358 4.982 3.506 1.00 0.00 ATOM 463 CA ASN 69 40.609 5.629 3.878 1.00 0.00 ATOM 464 CB ASN 69 40.511 7.139 3.663 1.00 0.00 ATOM 465 CG ASN 69 40.880 7.546 2.249 1.00 0.00 ATOM 466 ND2 ASN 69 41.779 8.514 2.132 1.00 0.00 ATOM 467 OD1 ASN 69 40.365 6.996 1.274 1.00 0.00 ATOM 468 O ASN 69 42.192 5.201 5.625 1.00 0.00 ATOM 469 C ASN 69 41.006 5.321 5.319 1.00 0.00 ATOM 470 N LEU 70 40.020 5.199 6.206 1.00 0.00 ATOM 471 CA LEU 70 40.313 4.863 7.597 1.00 0.00 ATOM 472 CB LEU 70 39.026 4.747 8.415 1.00 0.00 ATOM 473 CG LEU 70 38.542 5.974 9.183 1.00 0.00 ATOM 474 CD1 LEU 70 38.473 7.178 8.259 1.00 0.00 ATOM 475 CD2 LEU 70 37.181 5.665 9.788 1.00 0.00 ATOM 476 O LEU 70 41.986 3.296 8.314 1.00 0.00 ATOM 477 C LEU 70 41.013 3.514 7.588 1.00 0.00 ATOM 478 N GLN 71 40.494 2.617 6.757 1.00 0.00 ATOM 479 CA GLN 71 41.024 1.268 6.599 1.00 0.00 ATOM 480 CB GLN 71 40.105 0.464 5.672 1.00 0.00 ATOM 481 CG GLN 71 40.570 -0.949 5.338 1.00 0.00 ATOM 482 CD GLN 71 40.733 -1.821 6.567 1.00 0.00 ATOM 483 OE1 GLN 71 41.787 -1.830 7.202 1.00 0.00 ATOM 484 NE2 GLN 71 39.682 -2.553 6.913 1.00 0.00 ATOM 485 O GLN 71 43.357 0.711 6.517 1.00 0.00 ATOM 486 C GLN 71 42.429 1.337 6.010 1.00 0.00 ATOM 487 N ASN 72 42.579 2.108 4.938 1.00 0.00 ATOM 488 CA ASN 72 43.876 2.243 4.294 1.00 0.00 ATOM 489 CB ASN 72 43.747 3.074 3.017 1.00 0.00 ATOM 490 CG ASN 72 42.859 2.409 1.986 1.00 0.00 ATOM 491 ND2 ASN 72 42.360 3.194 1.034 1.00 0.00 ATOM 492 OD1 ASN 72 42.635 1.197 2.037 1.00 0.00 ATOM 493 O ASN 72 46.065 2.404 5.257 1.00 0.00 ATOM 494 C ASN 72 44.924 2.860 5.218 1.00 0.00 ATOM 495 N ALA 73 44.534 3.890 5.963 1.00 0.00 ATOM 496 CA ALA 73 45.461 4.557 6.872 1.00 0.00 ATOM 497 CB ALA 73 44.758 5.701 7.591 1.00 0.00 ATOM 498 O ALA 73 47.216 3.575 8.191 1.00 0.00 ATOM 499 C ALA 73 46.021 3.567 7.883 1.00 0.00 ATOM 500 N TRP 74 45.146 2.711 8.398 1.00 0.00 ATOM 501 CA TRP 74 45.549 1.714 9.375 1.00 0.00 ATOM 502 CB TRP 74 44.308 1.078 10.009 1.00 0.00 ATOM 503 CG TRP 74 44.626 -0.003 10.987 1.00 0.00 ATOM 504 CD1 TRP 74 44.707 -1.341 10.732 1.00 0.00 ATOM 505 CD2 TRP 74 44.957 0.164 12.371 1.00 0.00 ATOM 506 CE2 TRP 74 45.227 -1.120 12.893 1.00 0.00 ATOM 507 CE3 TRP 74 45.050 1.273 13.221 1.00 0.00 ATOM 508 NE1 TRP 74 45.068 -2.019 11.871 1.00 0.00 ATOM 509 CZ2 TRP 74 45.589 -1.327 14.229 1.00 0.00 ATOM 510 CZ3 TRP 74 45.412 1.069 14.552 1.00 0.00 ATOM 511 CH2 TRP 74 45.675 -0.224 15.042 1.00 0.00 ATOM 512 O TRP 74 47.446 0.244 9.284 1.00 0.00 ATOM 513 C TRP 74 46.427 0.648 8.724 1.00 0.00 ATOM 514 N SER 75 46.033 0.202 7.536 1.00 0.00 ATOM 515 CA SER 75 46.795 -0.811 6.813 1.00 0.00 ATOM 516 CB SER 75 46.007 -1.289 5.592 1.00 0.00 ATOM 517 OG SER 75 44.813 -1.931 5.994 1.00 0.00 ATOM 518 O SER 75 49.167 -0.985 6.489 1.00 0.00 ATOM 519 C SER 75 48.159 -0.287 6.372 1.00 0.00 ATOM 520 N LEU 76 48.187 0.939 5.858 1.00 0.00 ATOM 521 CA LEU 76 49.438 1.543 5.403 1.00 0.00 ATOM 522 CB LEU 76 49.162 2.858 4.668 1.00 0.00 ATOM 523 CG LEU 76 48.553 2.705 3.271 1.00 0.00 ATOM 524 CD1 LEU 76 48.008 4.040 2.779 1.00 0.00 ATOM 525 CD2 LEU 76 49.604 2.163 2.319 1.00 0.00 ATOM 526 O LEU 76 51.598 1.649 6.449 1.00 0.00 ATOM 527 C LEU 76 50.381 1.793 6.578 1.00 0.00 ATOM 528 N ALA 77 49.815 2.160 7.723 1.00 0.00 ATOM 529 CA ALA 77 50.611 2.421 8.916 1.00 0.00 ATOM 530 CB ALA 77 49.722 2.950 10.036 1.00 0.00 ATOM 531 O ALA 77 52.469 1.175 9.789 1.00 0.00 ATOM 532 C ALA 77 51.314 1.145 9.366 1.00 0.00 ATOM 533 N GLU 78 50.610 0.021 9.264 1.00 0.00 ATOM 534 CA GLU 78 51.160 -1.268 9.665 1.00 0.00 ATOM 535 CB GLU 78 50.031 -2.288 9.831 1.00 0.00 ATOM 536 CG GLU 78 48.974 -1.898 10.859 1.00 0.00 ATOM 537 CD GLU 78 49.512 -1.863 12.280 1.00 0.00 ATOM 538 OE1 GLU 78 48.734 -1.531 13.200 1.00 0.00 ATOM 539 OE2 GLU 78 50.708 -2.168 12.479 1.00 0.00 ATOM 540 O GLU 78 53.273 -2.235 9.047 1.00 0.00 ATOM 541 C GLU 78 52.184 -1.802 8.665 1.00 0.00 ATOM 542 N ALA 79 51.833 -1.761 7.384 1.00 0.00 ATOM 543 CA ALA 79 52.703 -2.262 6.326 1.00 0.00 ATOM 544 CB ALA 79 51.907 -2.418 5.041 1.00 0.00 ATOM 545 O ALA 79 54.958 -1.931 5.582 1.00 0.00 ATOM 546 C ALA 79 53.948 -1.418 6.063 1.00 0.00 ATOM 547 N GLU 80 53.876 -0.127 6.371 1.00 0.00 ATOM 548 CA GLU 80 55.001 0.778 6.148 1.00 0.00 ATOM 549 CB GLU 80 54.662 2.168 6.693 1.00 0.00 ATOM 550 CG GLU 80 55.698 3.242 6.397 1.00 0.00 ATOM 551 CD GLU 80 55.763 3.613 4.927 1.00 0.00 ATOM 552 OE1 GLU 80 54.737 4.067 4.376 1.00 0.00 ATOM 553 OE2 GLU 80 56.841 3.453 4.321 1.00 0.00 ATOM 554 O GLU 80 57.351 0.249 6.154 1.00 0.00 ATOM 555 C GLU 80 56.298 0.276 6.792 1.00 0.00 ATOM 556 N LYS 81 56.219 -0.127 8.054 1.00 0.00 ATOM 557 CA LYS 81 57.400 -0.594 8.768 1.00 0.00 ATOM 558 CB LYS 81 57.160 -0.503 10.278 1.00 0.00 ATOM 559 CG LYS 81 55.877 -1.162 10.746 1.00 0.00 ATOM 560 CD LYS 81 55.618 -0.864 12.213 1.00 0.00 ATOM 561 CE LYS 81 54.301 -1.459 12.676 1.00 0.00 ATOM 562 NZ LYS 81 53.984 -1.053 14.073 1.00 0.00 ATOM 563 O LYS 81 58.974 -2.404 8.751 1.00 0.00 ATOM 564 C LYS 81 57.864 -2.000 8.392 1.00 0.00 ATOM 565 N THR 82 57.026 -2.736 7.664 1.00 0.00 ATOM 566 CA THR 82 57.370 -4.096 7.246 1.00 0.00 ATOM 567 CB THR 82 56.148 -5.030 7.301 1.00 0.00 ATOM 568 CG2 THR 82 55.567 -5.063 8.705 1.00 0.00 ATOM 569 OG1 THR 82 55.148 -4.572 6.378 1.00 0.00 ATOM 570 O THR 82 58.453 -5.190 5.401 1.00 0.00 ATOM 571 C THR 82 57.951 -4.151 5.832 1.00 0.00 ATOM 572 N VAL 83 57.870 -3.042 5.104 1.00 0.00 ATOM 573 CA VAL 83 58.414 -2.992 3.750 1.00 0.00 ATOM 574 CB VAL 83 57.589 -2.040 2.838 1.00 0.00 ATOM 575 CG1 VAL 83 58.251 -1.918 1.467 1.00 0.00 ATOM 576 CG2 VAL 83 56.174 -2.580 2.674 1.00 0.00 ATOM 577 O VAL 83 60.215 -1.675 4.642 1.00 0.00 ATOM 578 C VAL 83 59.862 -2.517 3.811 1.00 0.00 ATOM 579 N ASP 84 60.707 -3.063 2.938 1.00 0.00 ATOM 580 CA ASP 84 62.114 -2.682 2.929 1.00 0.00 ATOM 581 CB ASP 84 62.970 -3.821 2.351 1.00 0.00 ATOM 582 CG ASP 84 62.696 -4.079 0.872 1.00 0.00 ATOM 583 OD1 ASP 84 61.559 -3.841 0.410 1.00 0.00 ATOM 584 OD2 ASP 84 63.621 -4.543 0.176 1.00 0.00 ATOM 585 O ASP 84 63.120 -1.353 1.208 1.00 0.00 ATOM 586 C ASP 84 62.316 -1.405 2.133 1.00 0.00 ATOM 587 N VAL 85 61.569 -0.372 2.512 1.00 0.00 ATOM 588 CA VAL 85 61.638 0.926 1.862 1.00 0.00 ATOM 589 CB VAL 85 60.723 1.945 2.591 1.00 0.00 ATOM 590 CG1 VAL 85 60.888 3.335 1.992 1.00 0.00 ATOM 591 CG2 VAL 85 59.263 1.496 2.490 1.00 0.00 ATOM 592 O VAL 85 63.462 2.144 0.861 1.00 0.00 ATOM 593 C VAL 85 63.074 1.463 1.815 1.00 0.00 ATOM 594 N SER 86 63.863 1.145 2.840 1.00 0.00 ATOM 595 CA SER 86 65.245 1.614 2.915 1.00 0.00 ATOM 596 CB SER 86 65.921 1.087 4.190 1.00 0.00 ATOM 597 OG SER 86 66.030 -0.325 4.152 1.00 0.00 ATOM 598 O SER 86 67.030 1.950 1.344 1.00 0.00 ATOM 599 C SER 86 66.093 1.231 1.705 1.00 0.00 ATOM 600 N ARG 87 65.779 0.104 1.069 1.00 0.00 ATOM 601 CA ARG 87 66.561 -0.300 -0.094 1.00 0.00 ATOM 602 CB ARG 87 67.001 -1.769 0.016 1.00 0.00 ATOM 603 CG ARG 87 65.992 -2.735 0.598 1.00 0.00 ATOM 604 CD ARG 87 66.572 -4.152 0.635 1.00 0.00 ATOM 605 NE ARG 87 66.517 -4.798 -0.679 1.00 0.00 ATOM 606 CZ ARG 87 67.557 -5.351 -1.298 1.00 0.00 ATOM 607 NH1 ARG 87 68.755 -5.345 -0.729 1.00 0.00 ATOM 608 NH2 ARG 87 67.397 -5.910 -2.491 1.00 0.00 ATOM 609 O ARG 87 66.527 -0.244 -2.482 1.00 0.00 ATOM 610 C ARG 87 65.902 -0.048 -1.446 1.00 0.00 ATOM 611 N LEU 88 64.648 0.386 -1.444 1.00 0.00 ATOM 612 CA LEU 88 63.967 0.662 -2.709 1.00 0.00 ATOM 613 CB LEU 88 62.451 0.635 -2.518 1.00 0.00 ATOM 614 CG LEU 88 61.890 -0.669 -1.953 1.00 0.00 ATOM 615 CD1 LEU 88 60.393 -0.506 -1.735 1.00 0.00 ATOM 616 CD2 LEU 88 62.183 -1.834 -2.882 1.00 0.00 ATOM 617 O LEU 88 64.701 2.930 -2.441 1.00 0.00 ATOM 618 C LEU 88 64.414 2.021 -3.225 1.00 0.00 ATOM 619 N ARG 89 64.478 2.153 -4.546 1.00 0.00 ATOM 620 CA ARG 89 64.921 3.389 -5.165 1.00 0.00 ATOM 621 CB ARG 89 66.286 3.171 -5.825 1.00 0.00 ATOM 622 CG ARG 89 67.385 2.780 -4.845 1.00 0.00 ATOM 623 CD ARG 89 67.775 3.956 -3.963 1.00 0.00 ATOM 624 NE ARG 89 68.754 3.580 -2.946 1.00 0.00 ATOM 625 CZ ARG 89 68.458 2.940 -1.819 1.00 0.00 ATOM 626 NH1 ARG 89 67.205 2.601 -1.547 1.00 0.00 ATOM 627 NH2 ARG 89 69.422 2.635 -0.961 1.00 0.00 ATOM 628 O ARG 89 63.186 3.143 -6.800 1.00 0.00 ATOM 629 C ARG 89 63.942 3.907 -6.211 1.00 0.00 ATOM 630 N ARG 90 63.991 5.214 -6.433 1.00 0.00 ATOM 631 CA ARG 90 63.136 5.886 -7.399 1.00 0.00 ATOM 632 CB ARG 90 63.156 7.402 -7.139 1.00 0.00 ATOM 633 CG ARG 90 62.357 8.269 -8.126 1.00 0.00 ATOM 634 CD ARG 90 60.876 7.902 -8.157 1.00 0.00 ATOM 635 NE ARG 90 60.270 7.828 -6.828 1.00 0.00 ATOM 636 CZ ARG 90 59.809 8.871 -6.143 1.00 0.00 ATOM 637 NH1 ARG 90 59.876 10.096 -6.648 1.00 0.00 ATOM 638 NH2 ARG 90 59.258 8.684 -4.951 1.00 0.00 ATOM 639 O ARG 90 64.829 5.701 -9.091 1.00 0.00 ATOM 640 C ARG 90 63.634 5.585 -8.808 1.00 0.00 ATOM 641 N LEU 91 62.708 5.197 -9.683 1.00 0.00 ATOM 642 CA LEU 91 63.042 4.898 -11.073 1.00 0.00 ATOM 643 CB LEU 91 61.815 4.351 -11.807 1.00 0.00 ATOM 644 CG LEU 91 61.369 2.923 -11.501 1.00 0.00 ATOM 645 CD1 LEU 91 59.991 2.685 -12.094 1.00 0.00 ATOM 646 CD2 LEU 91 62.382 1.929 -12.060 1.00 0.00 ATOM 647 O LEU 91 62.980 7.251 -11.563 1.00 0.00 ATOM 648 C LEU 91 63.517 6.163 -11.780 1.00 0.00 ATOM 649 N VAL 92 64.524 6.015 -12.629 1.00 0.00 ATOM 650 CA VAL 92 65.053 7.149 -13.375 1.00 0.00 ATOM 651 CB VAL 92 66.591 7.210 -13.272 1.00 0.00 ATOM 652 CG1 VAL 92 67.110 8.448 -13.971 1.00 0.00 ATOM 653 CG2 VAL 92 67.013 7.215 -11.807 1.00 0.00 ATOM 654 O VAL 92 64.476 5.871 -15.321 1.00 0.00 ATOM 655 C VAL 92 64.653 6.991 -14.838 1.00 0.00 ATOM 656 N THR 93 64.494 8.110 -15.534 1.00 0.00 ATOM 657 CA THR 93 64.124 8.060 -16.943 1.00 0.00 ATOM 658 CB THR 93 63.959 9.476 -17.525 1.00 0.00 ATOM 659 CG2 THR 93 63.585 9.405 -18.998 1.00 0.00 ATOM 660 OG1 THR 93 62.926 10.167 -16.811 1.00 0.00 ATOM 661 O THR 93 66.393 7.640 -17.622 1.00 0.00 ATOM 662 C THR 93 65.208 7.315 -17.722 1.00 0.00 ATOM 663 N GLN 94 64.795 6.309 -18.487 1.00 0.00 ATOM 664 CA GLN 94 65.723 5.503 -19.278 1.00 0.00 ATOM 665 CB GLN 94 65.327 4.025 -19.207 1.00 0.00 ATOM 666 CG GLN 94 65.300 3.467 -17.791 1.00 0.00 ATOM 667 CD GLN 94 66.623 3.647 -17.074 1.00 0.00 ATOM 668 OE1 GLN 94 67.648 3.109 -17.493 1.00 0.00 ATOM 669 NE2 GLN 94 66.610 4.412 -15.988 1.00 0.00 ATOM 670 O GLN 94 66.882 5.794 -21.345 1.00 0.00 ATOM 671 C GLN 94 65.796 5.944 -20.739 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 T0311.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0311 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 = 0.621 # GDT_score = -52.874 # GDT_score(maxd=8.000,maxw=2.900)= -56.871 # GDT_score(maxd=8.000,maxw=3.200)= -54.520 # GDT_score(maxd=8.000,maxw=3.500)= -51.874 # GDT_score(maxd=10.000,maxw=3.800)= -52.924 # GDT_score(maxd=10.000,maxw=4.000)= -51.174 # GDT_score(maxd=10.000,maxw=4.200)= -49.484 # GDT_score(maxd=12.000,maxw=4.300)= -51.539 # GDT_score(maxd=12.000,maxw=4.500)= -49.936 # GDT_score(maxd=12.000,maxw=4.700)= -48.447 # GDT_score(maxd=14.000,maxw=5.200)= -47.181 # GDT_score(maxd=14.000,maxw=5.500)= -45.320 # command:# ReadConformPDB reading from PDB file T0311.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0311 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 = 0.747 # GDT_score = -60.345 # GDT_score(maxd=8.000,maxw=2.900)= -62.352 # GDT_score(maxd=8.000,maxw=3.200)= -60.470 # GDT_score(maxd=8.000,maxw=3.500)= -58.143 # GDT_score(maxd=10.000,maxw=3.800)= -59.723 # GDT_score(maxd=10.000,maxw=4.000)= -58.062 # GDT_score(maxd=10.000,maxw=4.200)= -56.401 # GDT_score(maxd=12.000,maxw=4.300)= -58.789 # GDT_score(maxd=12.000,maxw=4.500)= -57.187 # GDT_score(maxd=12.000,maxw=4.700)= -55.571 # GDT_score(maxd=14.000,maxw=5.200)= -54.318 # GDT_score(maxd=14.000,maxw=5.500)= -52.122 # command:# ReadConformPDB reading from PDB file T0311.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0311.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0311.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0311 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 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 6 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try1-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 T0311.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try10-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try10-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 T0311.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try11-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try11-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 T0311.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try12-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try12-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 T0311.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 T0311.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try2-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 T0311.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try3-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 T0311.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try4-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try4-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 T0311.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try5-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try5-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 T0311.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try6-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.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 T0311.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try7-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 T0311.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0311.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0311.try9-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 fromTry1cTermRotAndCap.renum.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file fromTry4breakatS75.renum.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file helixDownFromTry6.renum.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file try8MoveCtermOutTake2.renum.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1utxA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1utxA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-2b5aA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-2b5aA # ReadConformPDB reading from PDB file ../dimer/decoys/try8MoveCtermOutTake2.renum.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try8MoveCtermOutTake2.renum # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1611198244.pdb -s /var/tmp/to_scwrl_1611198244.seq -o /var/tmp/from_scwrl_1611198244.pdb > /var/tmp/scwrl_1611198244.log sh: /var/tmp/scwrl_1611198244.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1611198244.pdb or /var/tmp/from_scwrl_1611198244.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1611198244_b.pdb or decoys//var/tmp/from_scwrl_1611198244_b.pdb.gz for input Trying /var/tmp/from_scwrl_1611198244_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1611198244_b.pdb or /var/tmp/from_scwrl_1611198244_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1611198244_a.pdb or decoys//var/tmp/from_scwrl_1611198244_a.pdb.gz for input Trying /var/tmp/from_scwrl_1611198244_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1611198244_a.pdb or /var/tmp/from_scwrl_1611198244_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1611198244.pdb or /var/tmp/from_scwrl_1611198244_b.pdb or /var/tmp/from_scwrl_1611198244_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1361331169.pdb -s /var/tmp/to_scwrl_1361331169.seq -o /var/tmp/from_scwrl_1361331169.pdb > /var/tmp/scwrl_1361331169.log sh: /var/tmp/scwrl_1361331169.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1361331169.pdb or /var/tmp/from_scwrl_1361331169.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1361331169_b.pdb or decoys//var/tmp/from_scwrl_1361331169_b.pdb.gz for input Trying /var/tmp/from_scwrl_1361331169_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361331169_b.pdb or /var/tmp/from_scwrl_1361331169_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1361331169_a.pdb or decoys//var/tmp/from_scwrl_1361331169_a.pdb.gz for input Trying /var/tmp/from_scwrl_1361331169_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361331169_a.pdb or /var/tmp/from_scwrl_1361331169_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1361331169.pdb or /var/tmp/from_scwrl_1361331169_b.pdb or /var/tmp/from_scwrl_1361331169_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 T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2009235836.pdb -s /var/tmp/to_scwrl_2009235836.seq -o /var/tmp/from_scwrl_2009235836.pdb > /var/tmp/scwrl_2009235836.log sh: /var/tmp/scwrl_2009235836.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2009235836.pdb or /var/tmp/from_scwrl_2009235836.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2009235836_b.pdb or decoys//var/tmp/from_scwrl_2009235836_b.pdb.gz for input Trying /var/tmp/from_scwrl_2009235836_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2009235836_b.pdb or /var/tmp/from_scwrl_2009235836_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2009235836_a.pdb or decoys//var/tmp/from_scwrl_2009235836_a.pdb.gz for input Trying /var/tmp/from_scwrl_2009235836_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2009235836_a.pdb or /var/tmp/from_scwrl_2009235836_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2009235836.pdb or /var/tmp/from_scwrl_2009235836_b.pdb or /var/tmp/from_scwrl_2009235836_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1763182577.pdb -s /var/tmp/to_scwrl_1763182577.seq -o /var/tmp/from_scwrl_1763182577.pdb > /var/tmp/scwrl_1763182577.log sh: /var/tmp/scwrl_1763182577.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1763182577.pdb or /var/tmp/from_scwrl_1763182577.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1763182577_b.pdb or decoys//var/tmp/from_scwrl_1763182577_b.pdb.gz for input Trying /var/tmp/from_scwrl_1763182577_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1763182577_b.pdb or /var/tmp/from_scwrl_1763182577_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1763182577_a.pdb or decoys//var/tmp/from_scwrl_1763182577_a.pdb.gz for input Trying /var/tmp/from_scwrl_1763182577_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1763182577_a.pdb or /var/tmp/from_scwrl_1763182577_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1763182577.pdb or /var/tmp/from_scwrl_1763182577_b.pdb or /var/tmp/from_scwrl_1763182577_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_500848803.pdb -s /var/tmp/to_scwrl_500848803.seq -o /var/tmp/from_scwrl_500848803.pdb > /var/tmp/scwrl_500848803.log sh: /var/tmp/scwrl_500848803.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_500848803.pdb or /var/tmp/from_scwrl_500848803.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_500848803_b.pdb or decoys//var/tmp/from_scwrl_500848803_b.pdb.gz for input Trying /var/tmp/from_scwrl_500848803_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_500848803_b.pdb or /var/tmp/from_scwrl_500848803_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_500848803_a.pdb or decoys//var/tmp/from_scwrl_500848803_a.pdb.gz for input Trying /var/tmp/from_scwrl_500848803_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_500848803_a.pdb or /var/tmp/from_scwrl_500848803_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_500848803.pdb or /var/tmp/from_scwrl_500848803_b.pdb or /var/tmp/from_scwrl_500848803_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 T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1949448988.pdb -s /var/tmp/to_scwrl_1949448988.seq -o /var/tmp/from_scwrl_1949448988.pdb > /var/tmp/scwrl_1949448988.log sh: /var/tmp/scwrl_1949448988.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1949448988.pdb or /var/tmp/from_scwrl_1949448988.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949448988_b.pdb or decoys//var/tmp/from_scwrl_1949448988_b.pdb.gz for input Trying /var/tmp/from_scwrl_1949448988_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949448988_b.pdb or /var/tmp/from_scwrl_1949448988_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949448988_a.pdb or decoys//var/tmp/from_scwrl_1949448988_a.pdb.gz for input Trying /var/tmp/from_scwrl_1949448988_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949448988_a.pdb or /var/tmp/from_scwrl_1949448988_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1949448988.pdb or /var/tmp/from_scwrl_1949448988_b.pdb or /var/tmp/from_scwrl_1949448988_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 T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_37581807.pdb -s /var/tmp/to_scwrl_37581807.seq -o /var/tmp/from_scwrl_37581807.pdb > /var/tmp/scwrl_37581807.log sh: /var/tmp/scwrl_37581807.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_37581807.pdb or /var/tmp/from_scwrl_37581807.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_37581807_b.pdb or decoys//var/tmp/from_scwrl_37581807_b.pdb.gz for input Trying /var/tmp/from_scwrl_37581807_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_37581807_b.pdb or /var/tmp/from_scwrl_37581807_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_37581807_a.pdb or decoys//var/tmp/from_scwrl_37581807_a.pdb.gz for input Trying /var/tmp/from_scwrl_37581807_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_37581807_a.pdb or /var/tmp/from_scwrl_37581807_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_37581807.pdb or /var/tmp/from_scwrl_37581807_b.pdb or /var/tmp/from_scwrl_37581807_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_496484658.pdb -s /var/tmp/to_scwrl_496484658.seq -o /var/tmp/from_scwrl_496484658.pdb > /var/tmp/scwrl_496484658.log sh: /var/tmp/scwrl_496484658.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_496484658.pdb or /var/tmp/from_scwrl_496484658.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_496484658_b.pdb or decoys//var/tmp/from_scwrl_496484658_b.pdb.gz for input Trying /var/tmp/from_scwrl_496484658_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_496484658_b.pdb or /var/tmp/from_scwrl_496484658_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_496484658_a.pdb or decoys//var/tmp/from_scwrl_496484658_a.pdb.gz for input Trying /var/tmp/from_scwrl_496484658_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_496484658_a.pdb or /var/tmp/from_scwrl_496484658_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_496484658.pdb or /var/tmp/from_scwrl_496484658_b.pdb or /var/tmp/from_scwrl_496484658_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_629925201.pdb -s /var/tmp/to_scwrl_629925201.seq -o /var/tmp/from_scwrl_629925201.pdb > /var/tmp/scwrl_629925201.log sh: /var/tmp/scwrl_629925201.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_629925201.pdb or /var/tmp/from_scwrl_629925201.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_629925201_b.pdb or decoys//var/tmp/from_scwrl_629925201_b.pdb.gz for input Trying /var/tmp/from_scwrl_629925201_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_629925201_b.pdb or /var/tmp/from_scwrl_629925201_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_629925201_a.pdb or decoys//var/tmp/from_scwrl_629925201_a.pdb.gz for input Trying /var/tmp/from_scwrl_629925201_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_629925201_a.pdb or /var/tmp/from_scwrl_629925201_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_629925201.pdb or /var/tmp/from_scwrl_629925201_b.pdb or /var/tmp/from_scwrl_629925201_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_91764360.pdb -s /var/tmp/to_scwrl_91764360.seq -o /var/tmp/from_scwrl_91764360.pdb > /var/tmp/scwrl_91764360.log sh: /var/tmp/scwrl_91764360.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_91764360.pdb or /var/tmp/from_scwrl_91764360.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_91764360_b.pdb or decoys//var/tmp/from_scwrl_91764360_b.pdb.gz for input Trying /var/tmp/from_scwrl_91764360_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_91764360_b.pdb or /var/tmp/from_scwrl_91764360_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_91764360_a.pdb or decoys//var/tmp/from_scwrl_91764360_a.pdb.gz for input Trying /var/tmp/from_scwrl_91764360_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_91764360_a.pdb or /var/tmp/from_scwrl_91764360_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_91764360.pdb or /var/tmp/from_scwrl_91764360_b.pdb or /var/tmp/from_scwrl_91764360_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_86317605.pdb -s /var/tmp/to_scwrl_86317605.seq -o /var/tmp/from_scwrl_86317605.pdb > /var/tmp/scwrl_86317605.log sh: /var/tmp/scwrl_86317605.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_86317605.pdb or /var/tmp/from_scwrl_86317605.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_86317605_b.pdb or decoys//var/tmp/from_scwrl_86317605_b.pdb.gz for input Trying /var/tmp/from_scwrl_86317605_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_86317605_b.pdb or /var/tmp/from_scwrl_86317605_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_86317605_a.pdb or decoys//var/tmp/from_scwrl_86317605_a.pdb.gz for input Trying /var/tmp/from_scwrl_86317605_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_86317605_a.pdb or /var/tmp/from_scwrl_86317605_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_86317605.pdb or /var/tmp/from_scwrl_86317605_b.pdb or /var/tmp/from_scwrl_86317605_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 T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_421060448.pdb -s /var/tmp/to_scwrl_421060448.seq -o /var/tmp/from_scwrl_421060448.pdb > /var/tmp/scwrl_421060448.log sh: /var/tmp/scwrl_421060448.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_421060448.pdb or /var/tmp/from_scwrl_421060448.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_421060448_b.pdb or decoys//var/tmp/from_scwrl_421060448_b.pdb.gz for input Trying /var/tmp/from_scwrl_421060448_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_421060448_b.pdb or /var/tmp/from_scwrl_421060448_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_421060448_a.pdb or decoys//var/tmp/from_scwrl_421060448_a.pdb.gz for input Trying /var/tmp/from_scwrl_421060448_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_421060448_a.pdb or /var/tmp/from_scwrl_421060448_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_421060448.pdb or /var/tmp/from_scwrl_421060448_b.pdb or /var/tmp/from_scwrl_421060448_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 T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1917220979.pdb -s /var/tmp/to_scwrl_1917220979.seq -o /var/tmp/from_scwrl_1917220979.pdb > /var/tmp/scwrl_1917220979.log sh: /var/tmp/scwrl_1917220979.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1917220979.pdb or /var/tmp/from_scwrl_1917220979.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1917220979_b.pdb or decoys//var/tmp/from_scwrl_1917220979_b.pdb.gz for input Trying /var/tmp/from_scwrl_1917220979_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1917220979_b.pdb or /var/tmp/from_scwrl_1917220979_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1917220979_a.pdb or decoys//var/tmp/from_scwrl_1917220979_a.pdb.gz for input Trying /var/tmp/from_scwrl_1917220979_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1917220979_a.pdb or /var/tmp/from_scwrl_1917220979_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1917220979.pdb or /var/tmp/from_scwrl_1917220979_b.pdb or /var/tmp/from_scwrl_1917220979_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 T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_988577085.pdb -s /var/tmp/to_scwrl_988577085.seq -o /var/tmp/from_scwrl_988577085.pdb > /var/tmp/scwrl_988577085.log sh: /var/tmp/scwrl_988577085.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_988577085.pdb or /var/tmp/from_scwrl_988577085.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_988577085_b.pdb or decoys//var/tmp/from_scwrl_988577085_b.pdb.gz for input Trying /var/tmp/from_scwrl_988577085_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_988577085_b.pdb or /var/tmp/from_scwrl_988577085_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_988577085_a.pdb or decoys//var/tmp/from_scwrl_988577085_a.pdb.gz for input Trying /var/tmp/from_scwrl_988577085_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_988577085_a.pdb or /var/tmp/from_scwrl_988577085_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_988577085.pdb or /var/tmp/from_scwrl_988577085_b.pdb or /var/tmp/from_scwrl_988577085_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 T0311 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1601848867.pdb -s /var/tmp/to_scwrl_1601848867.seq -o /var/tmp/from_scwrl_1601848867.pdb > /var/tmp/scwrl_1601848867.log sh: /var/tmp/scwrl_1601848867.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1601848867.pdb or /var/tmp/from_scwrl_1601848867.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601848867_b.pdb or decoys//var/tmp/from_scwrl_1601848867_b.pdb.gz for input Trying /var/tmp/from_scwrl_1601848867_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601848867_b.pdb or /var/tmp/from_scwrl_1601848867_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601848867_a.pdb or decoys//var/tmp/from_scwrl_1601848867_a.pdb.gz for input Trying /var/tmp/from_scwrl_1601848867_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601848867_a.pdb or /var/tmp/from_scwrl_1601848867_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1601848867.pdb or /var/tmp/from_scwrl_1601848867_b.pdb or /var/tmp/from_scwrl_1601848867_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 86 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_53746300.pdb -s /var/tmp/to_scwrl_53746300.seq -o /var/tmp/from_scwrl_53746300.pdb > /var/tmp/scwrl_53746300.log sh: /var/tmp/scwrl_53746300.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_53746300.pdb or /var/tmp/from_scwrl_53746300.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_53746300_b.pdb or decoys//var/tmp/from_scwrl_53746300_b.pdb.gz for input Trying /var/tmp/from_scwrl_53746300_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_53746300_b.pdb or /var/tmp/from_scwrl_53746300_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_53746300_a.pdb or decoys//var/tmp/from_scwrl_53746300_a.pdb.gz for input Trying /var/tmp/from_scwrl_53746300_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_53746300_a.pdb or /var/tmp/from_scwrl_53746300_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_53746300.pdb or /var/tmp/from_scwrl_53746300_b.pdb or /var/tmp/from_scwrl_53746300_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 # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1151780779.pdb -s /var/tmp/to_scwrl_1151780779.seq -o /var/tmp/from_scwrl_1151780779.pdb > /var/tmp/scwrl_1151780779.log sh: /var/tmp/scwrl_1151780779.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1151780779.pdb or /var/tmp/from_scwrl_1151780779.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1151780779_b.pdb or decoys//var/tmp/from_scwrl_1151780779_b.pdb.gz for input Trying /var/tmp/from_scwrl_1151780779_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1151780779_b.pdb or /var/tmp/from_scwrl_1151780779_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1151780779_a.pdb or decoys//var/tmp/from_scwrl_1151780779_a.pdb.gz for input Trying /var/tmp/from_scwrl_1151780779_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1151780779_a.pdb or /var/tmp/from_scwrl_1151780779_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1151780779.pdb or /var/tmp/from_scwrl_1151780779_b.pdb or /var/tmp/from_scwrl_1151780779_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 51 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_640219777.pdb -s /var/tmp/to_scwrl_640219777.seq -o /var/tmp/from_scwrl_640219777.pdb > /var/tmp/scwrl_640219777.log sh: /var/tmp/scwrl_640219777.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_640219777.pdb or /var/tmp/from_scwrl_640219777.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_640219777_b.pdb or decoys//var/tmp/from_scwrl_640219777_b.pdb.gz for input Trying /var/tmp/from_scwrl_640219777_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_640219777_b.pdb or /var/tmp/from_scwrl_640219777_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_640219777_a.pdb or decoys//var/tmp/from_scwrl_640219777_a.pdb.gz for input Trying /var/tmp/from_scwrl_640219777_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_640219777_a.pdb or /var/tmp/from_scwrl_640219777_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_640219777.pdb or /var/tmp/from_scwrl_640219777_b.pdb or /var/tmp/from_scwrl_640219777_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 # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1058814356.pdb -s /var/tmp/to_scwrl_1058814356.seq -o /var/tmp/from_scwrl_1058814356.pdb > /var/tmp/scwrl_1058814356.log sh: /var/tmp/scwrl_1058814356.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1058814356.pdb or /var/tmp/from_scwrl_1058814356.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1058814356_b.pdb or decoys//var/tmp/from_scwrl_1058814356_b.pdb.gz for input Trying /var/tmp/from_scwrl_1058814356_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1058814356_b.pdb or /var/tmp/from_scwrl_1058814356_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1058814356_a.pdb or decoys//var/tmp/from_scwrl_1058814356_a.pdb.gz for input Trying /var/tmp/from_scwrl_1058814356_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1058814356_a.pdb or /var/tmp/from_scwrl_1058814356_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1058814356.pdb or /var/tmp/from_scwrl_1058814356_b.pdb or /var/tmp/from_scwrl_1058814356_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 # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1470809244.pdb -s /var/tmp/to_scwrl_1470809244.seq -o /var/tmp/from_scwrl_1470809244.pdb > /var/tmp/scwrl_1470809244.log sh: /var/tmp/scwrl_1470809244.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1470809244.pdb or /var/tmp/from_scwrl_1470809244.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1470809244_b.pdb or decoys//var/tmp/from_scwrl_1470809244_b.pdb.gz for input Trying /var/tmp/from_scwrl_1470809244_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1470809244_b.pdb or /var/tmp/from_scwrl_1470809244_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1470809244_a.pdb or decoys//var/tmp/from_scwrl_1470809244_a.pdb.gz for input Trying /var/tmp/from_scwrl_1470809244_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1470809244_a.pdb or /var/tmp/from_scwrl_1470809244_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1470809244.pdb or /var/tmp/from_scwrl_1470809244_b.pdb or /var/tmp/from_scwrl_1470809244_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 21 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_771511705.pdb -s /var/tmp/to_scwrl_771511705.seq -o /var/tmp/from_scwrl_771511705.pdb > /var/tmp/scwrl_771511705.log sh: /var/tmp/scwrl_771511705.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_771511705.pdb or /var/tmp/from_scwrl_771511705.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_771511705_b.pdb or decoys//var/tmp/from_scwrl_771511705_b.pdb.gz for input Trying /var/tmp/from_scwrl_771511705_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_771511705_b.pdb or /var/tmp/from_scwrl_771511705_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_771511705_a.pdb or decoys//var/tmp/from_scwrl_771511705_a.pdb.gz for input Trying /var/tmp/from_scwrl_771511705_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_771511705_a.pdb or /var/tmp/from_scwrl_771511705_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_771511705.pdb or /var/tmp/from_scwrl_771511705_b.pdb or /var/tmp/from_scwrl_771511705_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 91 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_944771596.pdb -s /var/tmp/to_scwrl_944771596.seq -o /var/tmp/from_scwrl_944771596.pdb > /var/tmp/scwrl_944771596.log sh: /var/tmp/scwrl_944771596.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_944771596.pdb or /var/tmp/from_scwrl_944771596.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_944771596_b.pdb or decoys//var/tmp/from_scwrl_944771596_b.pdb.gz for input Trying /var/tmp/from_scwrl_944771596_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_944771596_b.pdb or /var/tmp/from_scwrl_944771596_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_944771596_a.pdb or decoys//var/tmp/from_scwrl_944771596_a.pdb.gz for input Trying /var/tmp/from_scwrl_944771596_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_944771596_a.pdb or /var/tmp/from_scwrl_944771596_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_944771596.pdb or /var/tmp/from_scwrl_944771596_b.pdb or /var/tmp/from_scwrl_944771596_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 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1758228207.pdb -s /var/tmp/to_scwrl_1758228207.seq -o /var/tmp/from_scwrl_1758228207.pdb > /var/tmp/scwrl_1758228207.log sh: /var/tmp/scwrl_1758228207.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1758228207.pdb or /var/tmp/from_scwrl_1758228207.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758228207_b.pdb or decoys//var/tmp/from_scwrl_1758228207_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758228207_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758228207_b.pdb or /var/tmp/from_scwrl_1758228207_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758228207_a.pdb or decoys//var/tmp/from_scwrl_1758228207_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758228207_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758228207_a.pdb or /var/tmp/from_scwrl_1758228207_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758228207.pdb or /var/tmp/from_scwrl_1758228207_b.pdb or /var/tmp/from_scwrl_1758228207_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 82 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_726920584.pdb -s /var/tmp/to_scwrl_726920584.seq -o /var/tmp/from_scwrl_726920584.pdb > /var/tmp/scwrl_726920584.log sh: /var/tmp/scwrl_726920584.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_726920584.pdb or /var/tmp/from_scwrl_726920584.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726920584_b.pdb or decoys//var/tmp/from_scwrl_726920584_b.pdb.gz for input Trying /var/tmp/from_scwrl_726920584_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_726920584_b.pdb or /var/tmp/from_scwrl_726920584_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726920584_a.pdb or decoys//var/tmp/from_scwrl_726920584_a.pdb.gz for input Trying /var/tmp/from_scwrl_726920584_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_726920584_a.pdb or /var/tmp/from_scwrl_726920584_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_726920584.pdb or /var/tmp/from_scwrl_726920584_b.pdb or /var/tmp/from_scwrl_726920584_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 82 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_770885571.pdb -s /var/tmp/to_scwrl_770885571.seq -o /var/tmp/from_scwrl_770885571.pdb > /var/tmp/scwrl_770885571.log sh: /var/tmp/scwrl_770885571.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_770885571.pdb or /var/tmp/from_scwrl_770885571.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_770885571_b.pdb or decoys//var/tmp/from_scwrl_770885571_b.pdb.gz for input Trying /var/tmp/from_scwrl_770885571_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_770885571_b.pdb or /var/tmp/from_scwrl_770885571_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_770885571_a.pdb or decoys//var/tmp/from_scwrl_770885571_a.pdb.gz for input Trying /var/tmp/from_scwrl_770885571_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_770885571_a.pdb or /var/tmp/from_scwrl_770885571_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_770885571.pdb or /var/tmp/from_scwrl_770885571_b.pdb or /var/tmp/from_scwrl_770885571_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 68 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1399750828.pdb -s /var/tmp/to_scwrl_1399750828.seq -o /var/tmp/from_scwrl_1399750828.pdb > /var/tmp/scwrl_1399750828.log sh: /var/tmp/scwrl_1399750828.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1399750828.pdb or /var/tmp/from_scwrl_1399750828.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1399750828_b.pdb or decoys//var/tmp/from_scwrl_1399750828_b.pdb.gz for input Trying /var/tmp/from_scwrl_1399750828_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1399750828_b.pdb or /var/tmp/from_scwrl_1399750828_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1399750828_a.pdb or decoys//var/tmp/from_scwrl_1399750828_a.pdb.gz for input Trying /var/tmp/from_scwrl_1399750828_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1399750828_a.pdb or /var/tmp/from_scwrl_1399750828_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1399750828.pdb or /var/tmp/from_scwrl_1399750828_b.pdb or /var/tmp/from_scwrl_1399750828_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 22 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_563971971.pdb -s /var/tmp/to_scwrl_563971971.seq -o /var/tmp/from_scwrl_563971971.pdb > /var/tmp/scwrl_563971971.log sh: /var/tmp/scwrl_563971971.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_563971971.pdb or /var/tmp/from_scwrl_563971971.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_563971971_b.pdb or decoys//var/tmp/from_scwrl_563971971_b.pdb.gz for input Trying /var/tmp/from_scwrl_563971971_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_563971971_b.pdb or /var/tmp/from_scwrl_563971971_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_563971971_a.pdb or decoys//var/tmp/from_scwrl_563971971_a.pdb.gz for input Trying /var/tmp/from_scwrl_563971971_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_563971971_a.pdb or /var/tmp/from_scwrl_563971971_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_563971971.pdb or /var/tmp/from_scwrl_563971971_b.pdb or /var/tmp/from_scwrl_563971971_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 22 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_513519411.pdb -s /var/tmp/to_scwrl_513519411.seq -o /var/tmp/from_scwrl_513519411.pdb > /var/tmp/scwrl_513519411.log sh: /var/tmp/scwrl_513519411.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_513519411.pdb or /var/tmp/from_scwrl_513519411.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_513519411_b.pdb or decoys//var/tmp/from_scwrl_513519411_b.pdb.gz for input Trying /var/tmp/from_scwrl_513519411_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_513519411_b.pdb or /var/tmp/from_scwrl_513519411_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_513519411_a.pdb or decoys//var/tmp/from_scwrl_513519411_a.pdb.gz for input Trying /var/tmp/from_scwrl_513519411_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_513519411_a.pdb or /var/tmp/from_scwrl_513519411_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_513519411.pdb or /var/tmp/from_scwrl_513519411_b.pdb or /var/tmp/from_scwrl_513519411_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 22 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1615442816.pdb -s /var/tmp/to_scwrl_1615442816.seq -o /var/tmp/from_scwrl_1615442816.pdb > /var/tmp/scwrl_1615442816.log sh: /var/tmp/scwrl_1615442816.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1615442816.pdb or /var/tmp/from_scwrl_1615442816.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1615442816_b.pdb or decoys//var/tmp/from_scwrl_1615442816_b.pdb.gz for input Trying /var/tmp/from_scwrl_1615442816_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1615442816_b.pdb or /var/tmp/from_scwrl_1615442816_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1615442816_a.pdb or decoys//var/tmp/from_scwrl_1615442816_a.pdb.gz for input Trying /var/tmp/from_scwrl_1615442816_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1615442816_a.pdb or /var/tmp/from_scwrl_1615442816_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1615442816.pdb or /var/tmp/from_scwrl_1615442816_b.pdb or /var/tmp/from_scwrl_1615442816_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 22 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_918251679.pdb -s /var/tmp/to_scwrl_918251679.seq -o /var/tmp/from_scwrl_918251679.pdb > /var/tmp/scwrl_918251679.log sh: /var/tmp/scwrl_918251679.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_918251679.pdb or /var/tmp/from_scwrl_918251679.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_918251679_b.pdb or decoys//var/tmp/from_scwrl_918251679_b.pdb.gz for input Trying /var/tmp/from_scwrl_918251679_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_918251679_b.pdb or /var/tmp/from_scwrl_918251679_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_918251679_a.pdb or decoys//var/tmp/from_scwrl_918251679_a.pdb.gz for input Trying /var/tmp/from_scwrl_918251679_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_918251679_a.pdb or /var/tmp/from_scwrl_918251679_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_918251679.pdb or /var/tmp/from_scwrl_918251679_b.pdb or /var/tmp/from_scwrl_918251679_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 22 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2039800408.pdb -s /var/tmp/to_scwrl_2039800408.seq -o /var/tmp/from_scwrl_2039800408.pdb > /var/tmp/scwrl_2039800408.log sh: /var/tmp/scwrl_2039800408.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2039800408.pdb or /var/tmp/from_scwrl_2039800408.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2039800408_b.pdb or decoys//var/tmp/from_scwrl_2039800408_b.pdb.gz for input Trying /var/tmp/from_scwrl_2039800408_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2039800408_b.pdb or /var/tmp/from_scwrl_2039800408_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2039800408_a.pdb or decoys//var/tmp/from_scwrl_2039800408_a.pdb.gz for input Trying /var/tmp/from_scwrl_2039800408_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2039800408_a.pdb or /var/tmp/from_scwrl_2039800408_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2039800408.pdb or /var/tmp/from_scwrl_2039800408_b.pdb or /var/tmp/from_scwrl_2039800408_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 96 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1079157413.pdb -s /var/tmp/to_scwrl_1079157413.seq -o /var/tmp/from_scwrl_1079157413.pdb > /var/tmp/scwrl_1079157413.log sh: /var/tmp/scwrl_1079157413.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1079157413.pdb or /var/tmp/from_scwrl_1079157413.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1079157413_b.pdb or decoys//var/tmp/from_scwrl_1079157413_b.pdb.gz for input Trying /var/tmp/from_scwrl_1079157413_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1079157413_b.pdb or /var/tmp/from_scwrl_1079157413_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1079157413_a.pdb or decoys//var/tmp/from_scwrl_1079157413_a.pdb.gz for input Trying /var/tmp/from_scwrl_1079157413_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1079157413_a.pdb or /var/tmp/from_scwrl_1079157413_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1079157413.pdb or /var/tmp/from_scwrl_1079157413_b.pdb or /var/tmp/from_scwrl_1079157413_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_132099201.pdb -s /var/tmp/to_scwrl_132099201.seq -o /var/tmp/from_scwrl_132099201.pdb > /var/tmp/scwrl_132099201.log sh: /var/tmp/scwrl_132099201.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_132099201.pdb or /var/tmp/from_scwrl_132099201.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_132099201_b.pdb or decoys//var/tmp/from_scwrl_132099201_b.pdb.gz for input Trying /var/tmp/from_scwrl_132099201_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_132099201_b.pdb or /var/tmp/from_scwrl_132099201_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_132099201_a.pdb or decoys//var/tmp/from_scwrl_132099201_a.pdb.gz for input Trying /var/tmp/from_scwrl_132099201_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_132099201_a.pdb or /var/tmp/from_scwrl_132099201_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_132099201.pdb or /var/tmp/from_scwrl_132099201_b.pdb or /var/tmp/from_scwrl_132099201_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1901552597.pdb -s /var/tmp/to_scwrl_1901552597.seq -o /var/tmp/from_scwrl_1901552597.pdb > /var/tmp/scwrl_1901552597.log sh: /var/tmp/scwrl_1901552597.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1901552597.pdb or /var/tmp/from_scwrl_1901552597.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1901552597_b.pdb or decoys//var/tmp/from_scwrl_1901552597_b.pdb.gz for input Trying /var/tmp/from_scwrl_1901552597_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1901552597_b.pdb or /var/tmp/from_scwrl_1901552597_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1901552597_a.pdb or decoys//var/tmp/from_scwrl_1901552597_a.pdb.gz for input Trying /var/tmp/from_scwrl_1901552597_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1901552597_a.pdb or /var/tmp/from_scwrl_1901552597_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1901552597.pdb or /var/tmp/from_scwrl_1901552597_b.pdb or /var/tmp/from_scwrl_1901552597_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 T0311 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_694856344.pdb -s /var/tmp/to_scwrl_694856344.seq -o /var/tmp/from_scwrl_694856344.pdb > /var/tmp/scwrl_694856344.log sh: /var/tmp/scwrl_694856344.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_694856344.pdb or /var/tmp/from_scwrl_694856344.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_694856344_b.pdb or decoys//var/tmp/from_scwrl_694856344_b.pdb.gz for input Trying /var/tmp/from_scwrl_694856344_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_694856344_b.pdb or /var/tmp/from_scwrl_694856344_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_694856344_a.pdb or decoys//var/tmp/from_scwrl_694856344_a.pdb.gz for input Trying /var/tmp/from_scwrl_694856344_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_694856344_a.pdb or /var/tmp/from_scwrl_694856344_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_694856344.pdb or /var/tmp/from_scwrl_694856344_b.pdb or /var/tmp/from_scwrl_694856344_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 81 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_632948004.pdb -s /var/tmp/to_scwrl_632948004.seq -o /var/tmp/from_scwrl_632948004.pdb > /var/tmp/scwrl_632948004.log sh: /var/tmp/scwrl_632948004.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_632948004.pdb or /var/tmp/from_scwrl_632948004.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_632948004_b.pdb or decoys//var/tmp/from_scwrl_632948004_b.pdb.gz for input Trying /var/tmp/from_scwrl_632948004_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_632948004_b.pdb or /var/tmp/from_scwrl_632948004_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_632948004_a.pdb or decoys//var/tmp/from_scwrl_632948004_a.pdb.gz for input Trying /var/tmp/from_scwrl_632948004_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_632948004_a.pdb or /var/tmp/from_scwrl_632948004_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_632948004.pdb or /var/tmp/from_scwrl_632948004_b.pdb or /var/tmp/from_scwrl_632948004_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1703517938.pdb -s /var/tmp/to_scwrl_1703517938.seq -o /var/tmp/from_scwrl_1703517938.pdb > /var/tmp/scwrl_1703517938.log sh: /var/tmp/scwrl_1703517938.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1703517938.pdb or /var/tmp/from_scwrl_1703517938.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1703517938_b.pdb or decoys//var/tmp/from_scwrl_1703517938_b.pdb.gz for input Trying /var/tmp/from_scwrl_1703517938_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1703517938_b.pdb or /var/tmp/from_scwrl_1703517938_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1703517938_a.pdb or decoys//var/tmp/from_scwrl_1703517938_a.pdb.gz for input Trying /var/tmp/from_scwrl_1703517938_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1703517938_a.pdb or /var/tmp/from_scwrl_1703517938_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1703517938.pdb or /var/tmp/from_scwrl_1703517938_b.pdb or /var/tmp/from_scwrl_1703517938_a.pdb Error: no new SCWRL conformation added # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_732438151.pdb -s /var/tmp/to_scwrl_732438151.seq -o /var/tmp/from_scwrl_732438151.pdb > /var/tmp/scwrl_732438151.log sh: /var/tmp/scwrl_732438151.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_732438151.pdb or /var/tmp/from_scwrl_732438151.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_732438151_b.pdb or decoys//var/tmp/from_scwrl_732438151_b.pdb.gz for input Trying /var/tmp/from_scwrl_732438151_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_732438151_b.pdb or /var/tmp/from_scwrl_732438151_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_732438151_a.pdb or decoys//var/tmp/from_scwrl_732438151_a.pdb.gz for input Trying /var/tmp/from_scwrl_732438151_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_732438151_a.pdb or /var/tmp/from_scwrl_732438151_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_732438151.pdb or /var/tmp/from_scwrl_732438151_b.pdb or /var/tmp/from_scwrl_732438151_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 T0311 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1129432662.pdb -s /var/tmp/to_scwrl_1129432662.seq -o /var/tmp/from_scwrl_1129432662.pdb > /var/tmp/scwrl_1129432662.log sh: /var/tmp/scwrl_1129432662.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1129432662.pdb or /var/tmp/from_scwrl_1129432662.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1129432662_b.pdb or decoys//var/tmp/from_scwrl_1129432662_b.pdb.gz for input Trying /var/tmp/from_scwrl_1129432662_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1129432662_b.pdb or /var/tmp/from_scwrl_1129432662_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1129432662_a.pdb or decoys//var/tmp/from_scwrl_1129432662_a.pdb.gz for input Trying /var/tmp/from_scwrl_1129432662_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1129432662_a.pdb or /var/tmp/from_scwrl_1129432662_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1129432662.pdb or /var/tmp/from_scwrl_1129432662_b.pdb or /var/tmp/from_scwrl_1129432662_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 T0311 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_185959493.pdb -s /var/tmp/to_scwrl_185959493.seq -o /var/tmp/from_scwrl_185959493.pdb > /var/tmp/scwrl_185959493.log sh: /var/tmp/scwrl_185959493.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_185959493.pdb or /var/tmp/from_scwrl_185959493.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_185959493_b.pdb or decoys//var/tmp/from_scwrl_185959493_b.pdb.gz for input Trying /var/tmp/from_scwrl_185959493_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_185959493_b.pdb or /var/tmp/from_scwrl_185959493_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_185959493_a.pdb or decoys//var/tmp/from_scwrl_185959493_a.pdb.gz for input Trying /var/tmp/from_scwrl_185959493_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_185959493_a.pdb or /var/tmp/from_scwrl_185959493_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_185959493.pdb or /var/tmp/from_scwrl_185959493_b.pdb or /var/tmp/from_scwrl_185959493_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 T0311 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_824202512.pdb -s /var/tmp/to_scwrl_824202512.seq -o /var/tmp/from_scwrl_824202512.pdb > /var/tmp/scwrl_824202512.log sh: /var/tmp/scwrl_824202512.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_824202512.pdb or /var/tmp/from_scwrl_824202512.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_824202512_b.pdb or decoys//var/tmp/from_scwrl_824202512_b.pdb.gz for input Trying /var/tmp/from_scwrl_824202512_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_824202512_b.pdb or /var/tmp/from_scwrl_824202512_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_824202512_a.pdb or decoys//var/tmp/from_scwrl_824202512_a.pdb.gz for input Trying /var/tmp/from_scwrl_824202512_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_824202512_a.pdb or /var/tmp/from_scwrl_824202512_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_824202512.pdb or /var/tmp/from_scwrl_824202512_b.pdb or /var/tmp/from_scwrl_824202512_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 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1215750267.pdb -s /var/tmp/to_scwrl_1215750267.seq -o /var/tmp/from_scwrl_1215750267.pdb > /var/tmp/scwrl_1215750267.log sh: /var/tmp/scwrl_1215750267.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1215750267.pdb or /var/tmp/from_scwrl_1215750267.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1215750267_b.pdb or decoys//var/tmp/from_scwrl_1215750267_b.pdb.gz for input Trying /var/tmp/from_scwrl_1215750267_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1215750267_b.pdb or /var/tmp/from_scwrl_1215750267_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1215750267_a.pdb or decoys//var/tmp/from_scwrl_1215750267_a.pdb.gz for input Trying /var/tmp/from_scwrl_1215750267_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1215750267_a.pdb or /var/tmp/from_scwrl_1215750267_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1215750267.pdb or /var/tmp/from_scwrl_1215750267_b.pdb or /var/tmp/from_scwrl_1215750267_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 T0311 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_607019941.pdb -s /var/tmp/to_scwrl_607019941.seq -o /var/tmp/from_scwrl_607019941.pdb > /var/tmp/scwrl_607019941.log sh: /var/tmp/scwrl_607019941.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_607019941.pdb or /var/tmp/from_scwrl_607019941.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_607019941_b.pdb or decoys//var/tmp/from_scwrl_607019941_b.pdb.gz for input Trying /var/tmp/from_scwrl_607019941_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_607019941_b.pdb or /var/tmp/from_scwrl_607019941_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_607019941_a.pdb or decoys//var/tmp/from_scwrl_607019941_a.pdb.gz for input Trying /var/tmp/from_scwrl_607019941_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_607019941_a.pdb or /var/tmp/from_scwrl_607019941_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_607019941.pdb or /var/tmp/from_scwrl_607019941_b.pdb or /var/tmp/from_scwrl_607019941_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 T0311 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_593939844.pdb -s /var/tmp/to_scwrl_593939844.seq -o /var/tmp/from_scwrl_593939844.pdb > /var/tmp/scwrl_593939844.log sh: /var/tmp/scwrl_593939844.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_593939844.pdb or /var/tmp/from_scwrl_593939844.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_593939844_b.pdb or decoys//var/tmp/from_scwrl_593939844_b.pdb.gz for input Trying /var/tmp/from_scwrl_593939844_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_593939844_b.pdb or /var/tmp/from_scwrl_593939844_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_593939844_a.pdb or decoys//var/tmp/from_scwrl_593939844_a.pdb.gz for input Trying /var/tmp/from_scwrl_593939844_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_593939844_a.pdb or /var/tmp/from_scwrl_593939844_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_593939844.pdb or /var/tmp/from_scwrl_593939844_b.pdb or /var/tmp/from_scwrl_593939844_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 T0311 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_56843705.pdb -s /var/tmp/to_scwrl_56843705.seq -o /var/tmp/from_scwrl_56843705.pdb > /var/tmp/scwrl_56843705.log sh: /var/tmp/scwrl_56843705.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_56843705.pdb or /var/tmp/from_scwrl_56843705.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_56843705_b.pdb or decoys//var/tmp/from_scwrl_56843705_b.pdb.gz for input Trying /var/tmp/from_scwrl_56843705_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_56843705_b.pdb or /var/tmp/from_scwrl_56843705_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_56843705_a.pdb or decoys//var/tmp/from_scwrl_56843705_a.pdb.gz for input Trying /var/tmp/from_scwrl_56843705_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_56843705_a.pdb or /var/tmp/from_scwrl_56843705_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_56843705.pdb or /var/tmp/from_scwrl_56843705_b.pdb or /var/tmp/from_scwrl_56843705_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 T0311 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_61385161.pdb -s /var/tmp/to_scwrl_61385161.seq -o /var/tmp/from_scwrl_61385161.pdb > /var/tmp/scwrl_61385161.log sh: /var/tmp/scwrl_61385161.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_61385161.pdb or /var/tmp/from_scwrl_61385161.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_61385161_b.pdb or decoys//var/tmp/from_scwrl_61385161_b.pdb.gz for input Trying /var/tmp/from_scwrl_61385161_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_61385161_b.pdb or /var/tmp/from_scwrl_61385161_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_61385161_a.pdb or decoys//var/tmp/from_scwrl_61385161_a.pdb.gz for input Trying /var/tmp/from_scwrl_61385161_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_61385161_a.pdb or /var/tmp/from_scwrl_61385161_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_61385161.pdb or /var/tmp/from_scwrl_61385161_b.pdb or /var/tmp/from_scwrl_61385161_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 T0311 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_647686144.pdb -s /var/tmp/to_scwrl_647686144.seq -o /var/tmp/from_scwrl_647686144.pdb > /var/tmp/scwrl_647686144.log sh: /var/tmp/scwrl_647686144.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_647686144.pdb or /var/tmp/from_scwrl_647686144.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_647686144_b.pdb or decoys//var/tmp/from_scwrl_647686144_b.pdb.gz for input Trying /var/tmp/from_scwrl_647686144_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_647686144_b.pdb or /var/tmp/from_scwrl_647686144_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_647686144_a.pdb or decoys//var/tmp/from_scwrl_647686144_a.pdb.gz for input Trying /var/tmp/from_scwrl_647686144_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_647686144_a.pdb or /var/tmp/from_scwrl_647686144_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_647686144.pdb or /var/tmp/from_scwrl_647686144_b.pdb or /var/tmp/from_scwrl_647686144_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 96 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1208624485.pdb -s /var/tmp/to_scwrl_1208624485.seq -o /var/tmp/from_scwrl_1208624485.pdb > /var/tmp/scwrl_1208624485.log sh: /var/tmp/scwrl_1208624485.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1208624485.pdb or /var/tmp/from_scwrl_1208624485.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1208624485_b.pdb or decoys//var/tmp/from_scwrl_1208624485_b.pdb.gz for input Trying /var/tmp/from_scwrl_1208624485_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1208624485_b.pdb or /var/tmp/from_scwrl_1208624485_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1208624485_a.pdb or decoys//var/tmp/from_scwrl_1208624485_a.pdb.gz for input Trying /var/tmp/from_scwrl_1208624485_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1208624485_a.pdb or /var/tmp/from_scwrl_1208624485_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1208624485.pdb or /var/tmp/from_scwrl_1208624485_b.pdb or /var/tmp/from_scwrl_1208624485_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_701604938.pdb -s /var/tmp/to_scwrl_701604938.seq -o /var/tmp/from_scwrl_701604938.pdb > /var/tmp/scwrl_701604938.log sh: /var/tmp/scwrl_701604938.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_701604938.pdb or /var/tmp/from_scwrl_701604938.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_701604938_b.pdb or decoys//var/tmp/from_scwrl_701604938_b.pdb.gz for input Trying /var/tmp/from_scwrl_701604938_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_701604938_b.pdb or /var/tmp/from_scwrl_701604938_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_701604938_a.pdb or decoys//var/tmp/from_scwrl_701604938_a.pdb.gz for input Trying /var/tmp/from_scwrl_701604938_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_701604938_a.pdb or /var/tmp/from_scwrl_701604938_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_701604938.pdb or /var/tmp/from_scwrl_701604938_b.pdb or /var/tmp/from_scwrl_701604938_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1706500499.pdb -s /var/tmp/to_scwrl_1706500499.seq -o /var/tmp/from_scwrl_1706500499.pdb > /var/tmp/scwrl_1706500499.log sh: /var/tmp/scwrl_1706500499.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1706500499.pdb or /var/tmp/from_scwrl_1706500499.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1706500499_b.pdb or decoys//var/tmp/from_scwrl_1706500499_b.pdb.gz for input Trying /var/tmp/from_scwrl_1706500499_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1706500499_b.pdb or /var/tmp/from_scwrl_1706500499_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1706500499_a.pdb or decoys//var/tmp/from_scwrl_1706500499_a.pdb.gz for input Trying /var/tmp/from_scwrl_1706500499_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1706500499_a.pdb or /var/tmp/from_scwrl_1706500499_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1706500499.pdb or /var/tmp/from_scwrl_1706500499_b.pdb or /var/tmp/from_scwrl_1706500499_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_531950083.pdb -s /var/tmp/to_scwrl_531950083.seq -o /var/tmp/from_scwrl_531950083.pdb > /var/tmp/scwrl_531950083.log sh: /var/tmp/scwrl_531950083.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_531950083.pdb or /var/tmp/from_scwrl_531950083.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_531950083_b.pdb or decoys//var/tmp/from_scwrl_531950083_b.pdb.gz for input Trying /var/tmp/from_scwrl_531950083_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_531950083_b.pdb or /var/tmp/from_scwrl_531950083_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_531950083_a.pdb or decoys//var/tmp/from_scwrl_531950083_a.pdb.gz for input Trying /var/tmp/from_scwrl_531950083_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_531950083_a.pdb or /var/tmp/from_scwrl_531950083_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_531950083.pdb or /var/tmp/from_scwrl_531950083_b.pdb or /var/tmp/from_scwrl_531950083_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1473116643.pdb -s /var/tmp/to_scwrl_1473116643.seq -o /var/tmp/from_scwrl_1473116643.pdb > /var/tmp/scwrl_1473116643.log sh: /var/tmp/scwrl_1473116643.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1473116643.pdb or /var/tmp/from_scwrl_1473116643.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1473116643_b.pdb or decoys//var/tmp/from_scwrl_1473116643_b.pdb.gz for input Trying /var/tmp/from_scwrl_1473116643_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1473116643_b.pdb or /var/tmp/from_scwrl_1473116643_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1473116643_a.pdb or decoys//var/tmp/from_scwrl_1473116643_a.pdb.gz for input Trying /var/tmp/from_scwrl_1473116643_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1473116643_a.pdb or /var/tmp/from_scwrl_1473116643_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1473116643.pdb or /var/tmp/from_scwrl_1473116643_b.pdb or /var/tmp/from_scwrl_1473116643_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 96 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_503788448.pdb -s /var/tmp/to_scwrl_503788448.seq -o /var/tmp/from_scwrl_503788448.pdb > /var/tmp/scwrl_503788448.log sh: /var/tmp/scwrl_503788448.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_503788448.pdb or /var/tmp/from_scwrl_503788448.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_503788448_b.pdb or decoys//var/tmp/from_scwrl_503788448_b.pdb.gz for input Trying /var/tmp/from_scwrl_503788448_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_503788448_b.pdb or /var/tmp/from_scwrl_503788448_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_503788448_a.pdb or decoys//var/tmp/from_scwrl_503788448_a.pdb.gz for input Trying /var/tmp/from_scwrl_503788448_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_503788448_a.pdb or /var/tmp/from_scwrl_503788448_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_503788448.pdb or /var/tmp/from_scwrl_503788448_b.pdb or /var/tmp/from_scwrl_503788448_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 96 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_142694643.pdb -s /var/tmp/to_scwrl_142694643.seq -o /var/tmp/from_scwrl_142694643.pdb > /var/tmp/scwrl_142694643.log sh: /var/tmp/scwrl_142694643.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_142694643.pdb or /var/tmp/from_scwrl_142694643.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_142694643_b.pdb or decoys//var/tmp/from_scwrl_142694643_b.pdb.gz for input Trying /var/tmp/from_scwrl_142694643_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_142694643_b.pdb or /var/tmp/from_scwrl_142694643_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_142694643_a.pdb or decoys//var/tmp/from_scwrl_142694643_a.pdb.gz for input Trying /var/tmp/from_scwrl_142694643_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_142694643_a.pdb or /var/tmp/from_scwrl_142694643_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_142694643.pdb or /var/tmp/from_scwrl_142694643_b.pdb or /var/tmp/from_scwrl_142694643_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_52553580.pdb -s /var/tmp/to_scwrl_52553580.seq -o /var/tmp/from_scwrl_52553580.pdb > /var/tmp/scwrl_52553580.log sh: /var/tmp/scwrl_52553580.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_52553580.pdb or /var/tmp/from_scwrl_52553580.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_52553580_b.pdb or decoys//var/tmp/from_scwrl_52553580_b.pdb.gz for input Trying /var/tmp/from_scwrl_52553580_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_52553580_b.pdb or /var/tmp/from_scwrl_52553580_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_52553580_a.pdb or decoys//var/tmp/from_scwrl_52553580_a.pdb.gz for input Trying /var/tmp/from_scwrl_52553580_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_52553580_a.pdb or /var/tmp/from_scwrl_52553580_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_52553580.pdb or /var/tmp/from_scwrl_52553580_b.pdb or /var/tmp/from_scwrl_52553580_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1274674018.pdb -s /var/tmp/to_scwrl_1274674018.seq -o /var/tmp/from_scwrl_1274674018.pdb > /var/tmp/scwrl_1274674018.log sh: /var/tmp/scwrl_1274674018.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1274674018.pdb or /var/tmp/from_scwrl_1274674018.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1274674018_b.pdb or decoys//var/tmp/from_scwrl_1274674018_b.pdb.gz for input Trying /var/tmp/from_scwrl_1274674018_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1274674018_b.pdb or /var/tmp/from_scwrl_1274674018_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1274674018_a.pdb or decoys//var/tmp/from_scwrl_1274674018_a.pdb.gz for input Trying /var/tmp/from_scwrl_1274674018_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1274674018_a.pdb or /var/tmp/from_scwrl_1274674018_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1274674018.pdb or /var/tmp/from_scwrl_1274674018_b.pdb or /var/tmp/from_scwrl_1274674018_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 81 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1542445471.pdb -s /var/tmp/to_scwrl_1542445471.seq -o /var/tmp/from_scwrl_1542445471.pdb > /var/tmp/scwrl_1542445471.log sh: /var/tmp/scwrl_1542445471.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1542445471.pdb or /var/tmp/from_scwrl_1542445471.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1542445471_b.pdb or decoys//var/tmp/from_scwrl_1542445471_b.pdb.gz for input Trying /var/tmp/from_scwrl_1542445471_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1542445471_b.pdb or /var/tmp/from_scwrl_1542445471_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1542445471_a.pdb or decoys//var/tmp/from_scwrl_1542445471_a.pdb.gz for input Trying /var/tmp/from_scwrl_1542445471_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1542445471_a.pdb or /var/tmp/from_scwrl_1542445471_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1542445471.pdb or /var/tmp/from_scwrl_1542445471_b.pdb or /var/tmp/from_scwrl_1542445471_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 68 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_616525551.pdb -s /var/tmp/to_scwrl_616525551.seq -o /var/tmp/from_scwrl_616525551.pdb > /var/tmp/scwrl_616525551.log sh: /var/tmp/scwrl_616525551.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_616525551.pdb or /var/tmp/from_scwrl_616525551.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_616525551_b.pdb or decoys//var/tmp/from_scwrl_616525551_b.pdb.gz for input Trying /var/tmp/from_scwrl_616525551_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_616525551_b.pdb or /var/tmp/from_scwrl_616525551_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_616525551_a.pdb or decoys//var/tmp/from_scwrl_616525551_a.pdb.gz for input Trying /var/tmp/from_scwrl_616525551_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_616525551_a.pdb or /var/tmp/from_scwrl_616525551_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_616525551.pdb or /var/tmp/from_scwrl_616525551_b.pdb or /var/tmp/from_scwrl_616525551_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 51 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1788193429.pdb -s /var/tmp/to_scwrl_1788193429.seq -o /var/tmp/from_scwrl_1788193429.pdb > /var/tmp/scwrl_1788193429.log sh: /var/tmp/scwrl_1788193429.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1788193429.pdb or /var/tmp/from_scwrl_1788193429.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1788193429_b.pdb or decoys//var/tmp/from_scwrl_1788193429_b.pdb.gz for input Trying /var/tmp/from_scwrl_1788193429_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1788193429_b.pdb or /var/tmp/from_scwrl_1788193429_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1788193429_a.pdb or decoys//var/tmp/from_scwrl_1788193429_a.pdb.gz for input Trying /var/tmp/from_scwrl_1788193429_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1788193429_a.pdb or /var/tmp/from_scwrl_1788193429_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1788193429.pdb or /var/tmp/from_scwrl_1788193429_b.pdb or /var/tmp/from_scwrl_1788193429_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 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1010404642.pdb -s /var/tmp/to_scwrl_1010404642.seq -o /var/tmp/from_scwrl_1010404642.pdb > /var/tmp/scwrl_1010404642.log sh: /var/tmp/scwrl_1010404642.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1010404642.pdb or /var/tmp/from_scwrl_1010404642.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1010404642_b.pdb or decoys//var/tmp/from_scwrl_1010404642_b.pdb.gz for input Trying /var/tmp/from_scwrl_1010404642_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1010404642_b.pdb or /var/tmp/from_scwrl_1010404642_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1010404642_a.pdb or decoys//var/tmp/from_scwrl_1010404642_a.pdb.gz for input Trying /var/tmp/from_scwrl_1010404642_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1010404642_a.pdb or /var/tmp/from_scwrl_1010404642_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1010404642.pdb or /var/tmp/from_scwrl_1010404642_b.pdb or /var/tmp/from_scwrl_1010404642_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 81 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1534777229.pdb -s /var/tmp/to_scwrl_1534777229.seq -o /var/tmp/from_scwrl_1534777229.pdb > /var/tmp/scwrl_1534777229.log sh: /var/tmp/scwrl_1534777229.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1534777229.pdb or /var/tmp/from_scwrl_1534777229.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1534777229_b.pdb or decoys//var/tmp/from_scwrl_1534777229_b.pdb.gz for input Trying /var/tmp/from_scwrl_1534777229_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1534777229_b.pdb or /var/tmp/from_scwrl_1534777229_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1534777229_a.pdb or decoys//var/tmp/from_scwrl_1534777229_a.pdb.gz for input Trying /var/tmp/from_scwrl_1534777229_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1534777229_a.pdb or /var/tmp/from_scwrl_1534777229_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1534777229.pdb or /var/tmp/from_scwrl_1534777229_b.pdb or /var/tmp/from_scwrl_1534777229_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 51 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1680510191.pdb -s /var/tmp/to_scwrl_1680510191.seq -o /var/tmp/from_scwrl_1680510191.pdb > /var/tmp/scwrl_1680510191.log sh: /var/tmp/scwrl_1680510191.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1680510191.pdb or /var/tmp/from_scwrl_1680510191.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1680510191_b.pdb or decoys//var/tmp/from_scwrl_1680510191_b.pdb.gz for input Trying /var/tmp/from_scwrl_1680510191_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1680510191_b.pdb or /var/tmp/from_scwrl_1680510191_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1680510191_a.pdb or decoys//var/tmp/from_scwrl_1680510191_a.pdb.gz for input Trying /var/tmp/from_scwrl_1680510191_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1680510191_a.pdb or /var/tmp/from_scwrl_1680510191_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1680510191.pdb or /var/tmp/from_scwrl_1680510191_b.pdb or /var/tmp/from_scwrl_1680510191_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 T0311 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2089562055.pdb -s /var/tmp/to_scwrl_2089562055.seq -o /var/tmp/from_scwrl_2089562055.pdb > /var/tmp/scwrl_2089562055.log sh: /var/tmp/scwrl_2089562055.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2089562055.pdb or /var/tmp/from_scwrl_2089562055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2089562055_b.pdb or decoys//var/tmp/from_scwrl_2089562055_b.pdb.gz for input Trying /var/tmp/from_scwrl_2089562055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2089562055_b.pdb or /var/tmp/from_scwrl_2089562055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2089562055_a.pdb or decoys//var/tmp/from_scwrl_2089562055_a.pdb.gz for input Trying /var/tmp/from_scwrl_2089562055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2089562055_a.pdb or /var/tmp/from_scwrl_2089562055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2089562055.pdb or /var/tmp/from_scwrl_2089562055_b.pdb or /var/tmp/from_scwrl_2089562055_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 T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1666876430.pdb -s /var/tmp/to_scwrl_1666876430.seq -o /var/tmp/from_scwrl_1666876430.pdb > /var/tmp/scwrl_1666876430.log sh: /var/tmp/scwrl_1666876430.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1666876430.pdb or /var/tmp/from_scwrl_1666876430.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1666876430_b.pdb or decoys//var/tmp/from_scwrl_1666876430_b.pdb.gz for input Trying /var/tmp/from_scwrl_1666876430_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1666876430_b.pdb or /var/tmp/from_scwrl_1666876430_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1666876430_a.pdb or decoys//var/tmp/from_scwrl_1666876430_a.pdb.gz for input Trying /var/tmp/from_scwrl_1666876430_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1666876430_a.pdb or /var/tmp/from_scwrl_1666876430_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1666876430.pdb or /var/tmp/from_scwrl_1666876430_b.pdb or /var/tmp/from_scwrl_1666876430_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 T0311 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1434579141.pdb -s /var/tmp/to_scwrl_1434579141.seq -o /var/tmp/from_scwrl_1434579141.pdb > /var/tmp/scwrl_1434579141.log sh: /var/tmp/scwrl_1434579141.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1434579141.pdb or /var/tmp/from_scwrl_1434579141.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1434579141_b.pdb or decoys//var/tmp/from_scwrl_1434579141_b.pdb.gz for input Trying /var/tmp/from_scwrl_1434579141_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1434579141_b.pdb or /var/tmp/from_scwrl_1434579141_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1434579141_a.pdb or decoys//var/tmp/from_scwrl_1434579141_a.pdb.gz for input Trying /var/tmp/from_scwrl_1434579141_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1434579141_a.pdb or /var/tmp/from_scwrl_1434579141_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1434579141.pdb or /var/tmp/from_scwrl_1434579141_b.pdb or /var/tmp/from_scwrl_1434579141_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 T0311 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_636934753.pdb -s /var/tmp/to_scwrl_636934753.seq -o /var/tmp/from_scwrl_636934753.pdb > /var/tmp/scwrl_636934753.log sh: /var/tmp/scwrl_636934753.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_636934753.pdb or /var/tmp/from_scwrl_636934753.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_636934753_b.pdb or decoys//var/tmp/from_scwrl_636934753_b.pdb.gz for input Trying /var/tmp/from_scwrl_636934753_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_636934753_b.pdb or /var/tmp/from_scwrl_636934753_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_636934753_a.pdb or decoys//var/tmp/from_scwrl_636934753_a.pdb.gz for input Trying /var/tmp/from_scwrl_636934753_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_636934753_a.pdb or /var/tmp/from_scwrl_636934753_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_636934753.pdb or /var/tmp/from_scwrl_636934753_b.pdb or /var/tmp/from_scwrl_636934753_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_152340787.pdb -s /var/tmp/to_scwrl_152340787.seq -o /var/tmp/from_scwrl_152340787.pdb > /var/tmp/scwrl_152340787.log sh: /var/tmp/scwrl_152340787.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_152340787.pdb or /var/tmp/from_scwrl_152340787.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_152340787_b.pdb or decoys//var/tmp/from_scwrl_152340787_b.pdb.gz for input Trying /var/tmp/from_scwrl_152340787_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_152340787_b.pdb or /var/tmp/from_scwrl_152340787_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_152340787_a.pdb or decoys//var/tmp/from_scwrl_152340787_a.pdb.gz for input Trying /var/tmp/from_scwrl_152340787_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_152340787_a.pdb or /var/tmp/from_scwrl_152340787_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_152340787.pdb or /var/tmp/from_scwrl_152340787_b.pdb or /var/tmp/from_scwrl_152340787_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 T0311 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_990613434.pdb -s /var/tmp/to_scwrl_990613434.seq -o /var/tmp/from_scwrl_990613434.pdb > /var/tmp/scwrl_990613434.log sh: /var/tmp/scwrl_990613434.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_990613434.pdb or /var/tmp/from_scwrl_990613434.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_990613434_b.pdb or decoys//var/tmp/from_scwrl_990613434_b.pdb.gz for input Trying /var/tmp/from_scwrl_990613434_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_990613434_b.pdb or /var/tmp/from_scwrl_990613434_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_990613434_a.pdb or decoys//var/tmp/from_scwrl_990613434_a.pdb.gz for input Trying /var/tmp/from_scwrl_990613434_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_990613434_a.pdb or /var/tmp/from_scwrl_990613434_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_990613434.pdb or /var/tmp/from_scwrl_990613434_b.pdb or /var/tmp/from_scwrl_990613434_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 T0311 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1369372903.pdb -s /var/tmp/to_scwrl_1369372903.seq -o /var/tmp/from_scwrl_1369372903.pdb > /var/tmp/scwrl_1369372903.log sh: /var/tmp/scwrl_1369372903.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1369372903.pdb or /var/tmp/from_scwrl_1369372903.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1369372903_b.pdb or decoys//var/tmp/from_scwrl_1369372903_b.pdb.gz for input Trying /var/tmp/from_scwrl_1369372903_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1369372903_b.pdb or /var/tmp/from_scwrl_1369372903_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1369372903_a.pdb or decoys//var/tmp/from_scwrl_1369372903_a.pdb.gz for input Trying /var/tmp/from_scwrl_1369372903_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1369372903_a.pdb or /var/tmp/from_scwrl_1369372903_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1369372903.pdb or /var/tmp/from_scwrl_1369372903_b.pdb or /var/tmp/from_scwrl_1369372903_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 T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1281773449.pdb -s /var/tmp/to_scwrl_1281773449.seq -o /var/tmp/from_scwrl_1281773449.pdb > /var/tmp/scwrl_1281773449.log sh: /var/tmp/scwrl_1281773449.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1281773449.pdb or /var/tmp/from_scwrl_1281773449.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1281773449_b.pdb or decoys//var/tmp/from_scwrl_1281773449_b.pdb.gz for input Trying /var/tmp/from_scwrl_1281773449_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1281773449_b.pdb or /var/tmp/from_scwrl_1281773449_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1281773449_a.pdb or decoys//var/tmp/from_scwrl_1281773449_a.pdb.gz for input Trying /var/tmp/from_scwrl_1281773449_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1281773449_a.pdb or /var/tmp/from_scwrl_1281773449_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1281773449.pdb or /var/tmp/from_scwrl_1281773449_b.pdb or /var/tmp/from_scwrl_1281773449_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1176572926.pdb -s /var/tmp/to_scwrl_1176572926.seq -o /var/tmp/from_scwrl_1176572926.pdb > /var/tmp/scwrl_1176572926.log sh: /var/tmp/scwrl_1176572926.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1176572926.pdb or /var/tmp/from_scwrl_1176572926.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1176572926_b.pdb or decoys//var/tmp/from_scwrl_1176572926_b.pdb.gz for input Trying /var/tmp/from_scwrl_1176572926_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1176572926_b.pdb or /var/tmp/from_scwrl_1176572926_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1176572926_a.pdb or decoys//var/tmp/from_scwrl_1176572926_a.pdb.gz for input Trying /var/tmp/from_scwrl_1176572926_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1176572926_a.pdb or /var/tmp/from_scwrl_1176572926_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1176572926.pdb or /var/tmp/from_scwrl_1176572926_b.pdb or /var/tmp/from_scwrl_1176572926_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 T0311 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_46091768.pdb -s /var/tmp/to_scwrl_46091768.seq -o /var/tmp/from_scwrl_46091768.pdb > /var/tmp/scwrl_46091768.log sh: /var/tmp/scwrl_46091768.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_46091768.pdb or /var/tmp/from_scwrl_46091768.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46091768_b.pdb or decoys//var/tmp/from_scwrl_46091768_b.pdb.gz for input Trying /var/tmp/from_scwrl_46091768_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_46091768_b.pdb or /var/tmp/from_scwrl_46091768_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46091768_a.pdb or decoys//var/tmp/from_scwrl_46091768_a.pdb.gz for input Trying /var/tmp/from_scwrl_46091768_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_46091768_a.pdb or /var/tmp/from_scwrl_46091768_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_46091768.pdb or /var/tmp/from_scwrl_46091768_b.pdb or /var/tmp/from_scwrl_46091768_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 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_350040070.pdb -s /var/tmp/to_scwrl_350040070.seq -o /var/tmp/from_scwrl_350040070.pdb > /var/tmp/scwrl_350040070.log sh: /var/tmp/scwrl_350040070.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_350040070.pdb or /var/tmp/from_scwrl_350040070.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_350040070_b.pdb or decoys//var/tmp/from_scwrl_350040070_b.pdb.gz for input Trying /var/tmp/from_scwrl_350040070_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_350040070_b.pdb or /var/tmp/from_scwrl_350040070_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_350040070_a.pdb or decoys//var/tmp/from_scwrl_350040070_a.pdb.gz for input Trying /var/tmp/from_scwrl_350040070_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_350040070_a.pdb or /var/tmp/from_scwrl_350040070_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_350040070.pdb or /var/tmp/from_scwrl_350040070_b.pdb or /var/tmp/from_scwrl_350040070_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 81 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1783592867.pdb -s /var/tmp/to_scwrl_1783592867.seq -o /var/tmp/from_scwrl_1783592867.pdb > /var/tmp/scwrl_1783592867.log sh: /var/tmp/scwrl_1783592867.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1783592867.pdb or /var/tmp/from_scwrl_1783592867.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1783592867_b.pdb or decoys//var/tmp/from_scwrl_1783592867_b.pdb.gz for input Trying /var/tmp/from_scwrl_1783592867_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1783592867_b.pdb or /var/tmp/from_scwrl_1783592867_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1783592867_a.pdb or decoys//var/tmp/from_scwrl_1783592867_a.pdb.gz for input Trying /var/tmp/from_scwrl_1783592867_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1783592867_a.pdb or /var/tmp/from_scwrl_1783592867_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1783592867.pdb or /var/tmp/from_scwrl_1783592867_b.pdb or /var/tmp/from_scwrl_1783592867_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 94 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_640031612.pdb -s /var/tmp/to_scwrl_640031612.seq -o /var/tmp/from_scwrl_640031612.pdb > /var/tmp/scwrl_640031612.log sh: /var/tmp/scwrl_640031612.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_640031612.pdb or /var/tmp/from_scwrl_640031612.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_640031612_b.pdb or decoys//var/tmp/from_scwrl_640031612_b.pdb.gz for input Trying /var/tmp/from_scwrl_640031612_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_640031612_b.pdb or /var/tmp/from_scwrl_640031612_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_640031612_a.pdb or decoys//var/tmp/from_scwrl_640031612_a.pdb.gz for input Trying /var/tmp/from_scwrl_640031612_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_640031612_a.pdb or /var/tmp/from_scwrl_640031612_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_640031612.pdb or /var/tmp/from_scwrl_640031612_b.pdb or /var/tmp/from_scwrl_640031612_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 81 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_406883776.pdb -s /var/tmp/to_scwrl_406883776.seq -o /var/tmp/from_scwrl_406883776.pdb > /var/tmp/scwrl_406883776.log sh: /var/tmp/scwrl_406883776.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_406883776.pdb or /var/tmp/from_scwrl_406883776.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_406883776_b.pdb or decoys//var/tmp/from_scwrl_406883776_b.pdb.gz for input Trying /var/tmp/from_scwrl_406883776_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_406883776_b.pdb or /var/tmp/from_scwrl_406883776_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_406883776_a.pdb or decoys//var/tmp/from_scwrl_406883776_a.pdb.gz for input Trying /var/tmp/from_scwrl_406883776_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_406883776_a.pdb or /var/tmp/from_scwrl_406883776_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_406883776.pdb or /var/tmp/from_scwrl_406883776_b.pdb or /var/tmp/from_scwrl_406883776_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 7 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1844978029.pdb -s /var/tmp/to_scwrl_1844978029.seq -o /var/tmp/from_scwrl_1844978029.pdb > /var/tmp/scwrl_1844978029.log sh: /var/tmp/scwrl_1844978029.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1844978029.pdb or /var/tmp/from_scwrl_1844978029.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1844978029_b.pdb or decoys//var/tmp/from_scwrl_1844978029_b.pdb.gz for input Trying /var/tmp/from_scwrl_1844978029_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1844978029_b.pdb or /var/tmp/from_scwrl_1844978029_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1844978029_a.pdb or decoys//var/tmp/from_scwrl_1844978029_a.pdb.gz for input Trying /var/tmp/from_scwrl_1844978029_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1844978029_a.pdb or /var/tmp/from_scwrl_1844978029_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1844978029.pdb or /var/tmp/from_scwrl_1844978029_b.pdb or /var/tmp/from_scwrl_1844978029_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1287717755.pdb -s /var/tmp/to_scwrl_1287717755.seq -o /var/tmp/from_scwrl_1287717755.pdb > /var/tmp/scwrl_1287717755.log sh: /var/tmp/scwrl_1287717755.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1287717755.pdb or /var/tmp/from_scwrl_1287717755.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1287717755_b.pdb or decoys//var/tmp/from_scwrl_1287717755_b.pdb.gz for input Trying /var/tmp/from_scwrl_1287717755_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1287717755_b.pdb or /var/tmp/from_scwrl_1287717755_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1287717755_a.pdb or decoys//var/tmp/from_scwrl_1287717755_a.pdb.gz for input Trying /var/tmp/from_scwrl_1287717755_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1287717755_a.pdb or /var/tmp/from_scwrl_1287717755_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1287717755.pdb or /var/tmp/from_scwrl_1287717755_b.pdb or /var/tmp/from_scwrl_1287717755_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1615508261.pdb -s /var/tmp/to_scwrl_1615508261.seq -o /var/tmp/from_scwrl_1615508261.pdb > /var/tmp/scwrl_1615508261.log sh: /var/tmp/scwrl_1615508261.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1615508261.pdb or /var/tmp/from_scwrl_1615508261.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1615508261_b.pdb or decoys//var/tmp/from_scwrl_1615508261_b.pdb.gz for input Trying /var/tmp/from_scwrl_1615508261_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1615508261_b.pdb or /var/tmp/from_scwrl_1615508261_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1615508261_a.pdb or decoys//var/tmp/from_scwrl_1615508261_a.pdb.gz for input Trying /var/tmp/from_scwrl_1615508261_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1615508261_a.pdb or /var/tmp/from_scwrl_1615508261_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1615508261.pdb or /var/tmp/from_scwrl_1615508261_b.pdb or /var/tmp/from_scwrl_1615508261_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_399099320.pdb -s /var/tmp/to_scwrl_399099320.seq -o /var/tmp/from_scwrl_399099320.pdb > /var/tmp/scwrl_399099320.log sh: /var/tmp/scwrl_399099320.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_399099320.pdb or /var/tmp/from_scwrl_399099320.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_399099320_b.pdb or decoys//var/tmp/from_scwrl_399099320_b.pdb.gz for input Trying /var/tmp/from_scwrl_399099320_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_399099320_b.pdb or /var/tmp/from_scwrl_399099320_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_399099320_a.pdb or decoys//var/tmp/from_scwrl_399099320_a.pdb.gz for input Trying /var/tmp/from_scwrl_399099320_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_399099320_a.pdb or /var/tmp/from_scwrl_399099320_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_399099320.pdb or /var/tmp/from_scwrl_399099320_b.pdb or /var/tmp/from_scwrl_399099320_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_846734608.pdb -s /var/tmp/to_scwrl_846734608.seq -o /var/tmp/from_scwrl_846734608.pdb > /var/tmp/scwrl_846734608.log sh: /var/tmp/scwrl_846734608.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_846734608.pdb or /var/tmp/from_scwrl_846734608.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_846734608_b.pdb or decoys//var/tmp/from_scwrl_846734608_b.pdb.gz for input Trying /var/tmp/from_scwrl_846734608_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_846734608_b.pdb or /var/tmp/from_scwrl_846734608_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_846734608_a.pdb or decoys//var/tmp/from_scwrl_846734608_a.pdb.gz for input Trying /var/tmp/from_scwrl_846734608_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_846734608_a.pdb or /var/tmp/from_scwrl_846734608_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_846734608.pdb or /var/tmp/from_scwrl_846734608_b.pdb or /var/tmp/from_scwrl_846734608_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2147458344.pdb -s /var/tmp/to_scwrl_2147458344.seq -o /var/tmp/from_scwrl_2147458344.pdb > /var/tmp/scwrl_2147458344.log sh: /var/tmp/scwrl_2147458344.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2147458344.pdb or /var/tmp/from_scwrl_2147458344.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2147458344_b.pdb or decoys//var/tmp/from_scwrl_2147458344_b.pdb.gz for input Trying /var/tmp/from_scwrl_2147458344_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2147458344_b.pdb or /var/tmp/from_scwrl_2147458344_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2147458344_a.pdb or decoys//var/tmp/from_scwrl_2147458344_a.pdb.gz for input Trying /var/tmp/from_scwrl_2147458344_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2147458344_a.pdb or /var/tmp/from_scwrl_2147458344_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2147458344.pdb or /var/tmp/from_scwrl_2147458344_b.pdb or /var/tmp/from_scwrl_2147458344_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1872215963.pdb -s /var/tmp/to_scwrl_1872215963.seq -o /var/tmp/from_scwrl_1872215963.pdb > /var/tmp/scwrl_1872215963.log sh: /var/tmp/scwrl_1872215963.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1872215963.pdb or /var/tmp/from_scwrl_1872215963.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1872215963_b.pdb or decoys//var/tmp/from_scwrl_1872215963_b.pdb.gz for input Trying /var/tmp/from_scwrl_1872215963_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1872215963_b.pdb or /var/tmp/from_scwrl_1872215963_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1872215963_a.pdb or decoys//var/tmp/from_scwrl_1872215963_a.pdb.gz for input Trying /var/tmp/from_scwrl_1872215963_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1872215963_a.pdb or /var/tmp/from_scwrl_1872215963_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1872215963.pdb or /var/tmp/from_scwrl_1872215963_b.pdb or /var/tmp/from_scwrl_1872215963_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 T0311 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1350523055.pdb -s /var/tmp/to_scwrl_1350523055.seq -o /var/tmp/from_scwrl_1350523055.pdb > /var/tmp/scwrl_1350523055.log sh: /var/tmp/scwrl_1350523055.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1350523055.pdb or /var/tmp/from_scwrl_1350523055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350523055_b.pdb or decoys//var/tmp/from_scwrl_1350523055_b.pdb.gz for input Trying /var/tmp/from_scwrl_1350523055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350523055_b.pdb or /var/tmp/from_scwrl_1350523055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350523055_a.pdb or decoys//var/tmp/from_scwrl_1350523055_a.pdb.gz for input Trying /var/tmp/from_scwrl_1350523055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350523055_a.pdb or /var/tmp/from_scwrl_1350523055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1350523055.pdb or /var/tmp/from_scwrl_1350523055_b.pdb or /var/tmp/from_scwrl_1350523055_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 T0311 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_142669340.pdb -s /var/tmp/to_scwrl_142669340.seq -o /var/tmp/from_scwrl_142669340.pdb > /var/tmp/scwrl_142669340.log sh: /var/tmp/scwrl_142669340.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_142669340.pdb or /var/tmp/from_scwrl_142669340.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_142669340_b.pdb or decoys//var/tmp/from_scwrl_142669340_b.pdb.gz for input Trying /var/tmp/from_scwrl_142669340_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_142669340_b.pdb or /var/tmp/from_scwrl_142669340_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_142669340_a.pdb or decoys//var/tmp/from_scwrl_142669340_a.pdb.gz for input Trying /var/tmp/from_scwrl_142669340_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_142669340_a.pdb or /var/tmp/from_scwrl_142669340_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_142669340.pdb or /var/tmp/from_scwrl_142669340_b.pdb or /var/tmp/from_scwrl_142669340_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 T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1924769543.pdb -s /var/tmp/to_scwrl_1924769543.seq -o /var/tmp/from_scwrl_1924769543.pdb > /var/tmp/scwrl_1924769543.log sh: /var/tmp/scwrl_1924769543.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1924769543.pdb or /var/tmp/from_scwrl_1924769543.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1924769543_b.pdb or decoys//var/tmp/from_scwrl_1924769543_b.pdb.gz for input Trying /var/tmp/from_scwrl_1924769543_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1924769543_b.pdb or /var/tmp/from_scwrl_1924769543_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1924769543_a.pdb or decoys//var/tmp/from_scwrl_1924769543_a.pdb.gz for input Trying /var/tmp/from_scwrl_1924769543_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1924769543_a.pdb or /var/tmp/from_scwrl_1924769543_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1924769543.pdb or /var/tmp/from_scwrl_1924769543_b.pdb or /var/tmp/from_scwrl_1924769543_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 T0311 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_477713427.pdb -s /var/tmp/to_scwrl_477713427.seq -o /var/tmp/from_scwrl_477713427.pdb > /var/tmp/scwrl_477713427.log sh: /var/tmp/scwrl_477713427.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_477713427.pdb or /var/tmp/from_scwrl_477713427.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_477713427_b.pdb or decoys//var/tmp/from_scwrl_477713427_b.pdb.gz for input Trying /var/tmp/from_scwrl_477713427_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_477713427_b.pdb or /var/tmp/from_scwrl_477713427_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_477713427_a.pdb or decoys//var/tmp/from_scwrl_477713427_a.pdb.gz for input Trying /var/tmp/from_scwrl_477713427_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_477713427_a.pdb or /var/tmp/from_scwrl_477713427_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_477713427.pdb or /var/tmp/from_scwrl_477713427_b.pdb or /var/tmp/from_scwrl_477713427_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 90 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1685114812.pdb -s /var/tmp/to_scwrl_1685114812.seq -o /var/tmp/from_scwrl_1685114812.pdb > /var/tmp/scwrl_1685114812.log sh: /var/tmp/scwrl_1685114812.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1685114812.pdb or /var/tmp/from_scwrl_1685114812.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1685114812_b.pdb or decoys//var/tmp/from_scwrl_1685114812_b.pdb.gz for input Trying /var/tmp/from_scwrl_1685114812_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1685114812_b.pdb or /var/tmp/from_scwrl_1685114812_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1685114812_a.pdb or decoys//var/tmp/from_scwrl_1685114812_a.pdb.gz for input Trying /var/tmp/from_scwrl_1685114812_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1685114812_a.pdb or /var/tmp/from_scwrl_1685114812_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1685114812.pdb or /var/tmp/from_scwrl_1685114812_b.pdb or /var/tmp/from_scwrl_1685114812_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 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_393811447.pdb -s /var/tmp/to_scwrl_393811447.seq -o /var/tmp/from_scwrl_393811447.pdb > /var/tmp/scwrl_393811447.log sh: /var/tmp/scwrl_393811447.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_393811447.pdb or /var/tmp/from_scwrl_393811447.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_393811447_b.pdb or decoys//var/tmp/from_scwrl_393811447_b.pdb.gz for input Trying /var/tmp/from_scwrl_393811447_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_393811447_b.pdb or /var/tmp/from_scwrl_393811447_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_393811447_a.pdb or decoys//var/tmp/from_scwrl_393811447_a.pdb.gz for input Trying /var/tmp/from_scwrl_393811447_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_393811447_a.pdb or /var/tmp/from_scwrl_393811447_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_393811447.pdb or /var/tmp/from_scwrl_393811447_b.pdb or /var/tmp/from_scwrl_393811447_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 91 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_118423210.pdb -s /var/tmp/to_scwrl_118423210.seq -o /var/tmp/from_scwrl_118423210.pdb > /var/tmp/scwrl_118423210.log sh: /var/tmp/scwrl_118423210.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_118423210.pdb or /var/tmp/from_scwrl_118423210.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_118423210_b.pdb or decoys//var/tmp/from_scwrl_118423210_b.pdb.gz for input Trying /var/tmp/from_scwrl_118423210_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_118423210_b.pdb or /var/tmp/from_scwrl_118423210_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_118423210_a.pdb or decoys//var/tmp/from_scwrl_118423210_a.pdb.gz for input Trying /var/tmp/from_scwrl_118423210_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_118423210_a.pdb or /var/tmp/from_scwrl_118423210_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_118423210.pdb or /var/tmp/from_scwrl_118423210_b.pdb or /var/tmp/from_scwrl_118423210_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 96 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_548035807.pdb -s /var/tmp/to_scwrl_548035807.seq -o /var/tmp/from_scwrl_548035807.pdb > /var/tmp/scwrl_548035807.log sh: /var/tmp/scwrl_548035807.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_548035807.pdb or /var/tmp/from_scwrl_548035807.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_548035807_b.pdb or decoys//var/tmp/from_scwrl_548035807_b.pdb.gz for input Trying /var/tmp/from_scwrl_548035807_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_548035807_b.pdb or /var/tmp/from_scwrl_548035807_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_548035807_a.pdb or decoys//var/tmp/from_scwrl_548035807_a.pdb.gz for input Trying /var/tmp/from_scwrl_548035807_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_548035807_a.pdb or /var/tmp/from_scwrl_548035807_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_548035807.pdb or /var/tmp/from_scwrl_548035807_b.pdb or /var/tmp/from_scwrl_548035807_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 93 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1928588676.pdb -s /var/tmp/to_scwrl_1928588676.seq -o /var/tmp/from_scwrl_1928588676.pdb > /var/tmp/scwrl_1928588676.log sh: /var/tmp/scwrl_1928588676.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1928588676.pdb or /var/tmp/from_scwrl_1928588676.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1928588676_b.pdb or decoys//var/tmp/from_scwrl_1928588676_b.pdb.gz for input Trying /var/tmp/from_scwrl_1928588676_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1928588676_b.pdb or /var/tmp/from_scwrl_1928588676_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1928588676_a.pdb or decoys//var/tmp/from_scwrl_1928588676_a.pdb.gz for input Trying /var/tmp/from_scwrl_1928588676_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1928588676_a.pdb or /var/tmp/from_scwrl_1928588676_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1928588676.pdb or /var/tmp/from_scwrl_1928588676_b.pdb or /var/tmp/from_scwrl_1928588676_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 88 ; scwrl3 -i /var/tmp/to_scwrl_1798933401.pdb -s /var/tmp/to_scwrl_1798933401.seq -o /var/tmp/from_scwrl_1798933401.pdb > /var/tmp/scwrl_1798933401.log sh: /var/tmp/scwrl_1798933401.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1798933401.pdb or /var/tmp/from_scwrl_1798933401.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1798933401_b.pdb or decoys//var/tmp/from_scwrl_1798933401_b.pdb.gz for input Trying /var/tmp/from_scwrl_1798933401_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1798933401_b.pdb or /var/tmp/from_scwrl_1798933401_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1798933401_a.pdb or decoys//var/tmp/from_scwrl_1798933401_a.pdb.gz for input Trying /var/tmp/from_scwrl_1798933401_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1798933401_a.pdb or /var/tmp/from_scwrl_1798933401_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1798933401.pdb or /var/tmp/from_scwrl_1798933401_b.pdb or /var/tmp/from_scwrl_1798933401_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 # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_490114215.pdb -s /var/tmp/to_scwrl_490114215.seq -o /var/tmp/from_scwrl_490114215.pdb > /var/tmp/scwrl_490114215.log sh: /var/tmp/scwrl_490114215.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_490114215.pdb or /var/tmp/from_scwrl_490114215.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_490114215_b.pdb or decoys//var/tmp/from_scwrl_490114215_b.pdb.gz for input Trying /var/tmp/from_scwrl_490114215_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_490114215_b.pdb or /var/tmp/from_scwrl_490114215_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_490114215_a.pdb or decoys//var/tmp/from_scwrl_490114215_a.pdb.gz for input Trying /var/tmp/from_scwrl_490114215_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_490114215_a.pdb or /var/tmp/from_scwrl_490114215_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_490114215.pdb or /var/tmp/from_scwrl_490114215_b.pdb or /var/tmp/from_scwrl_490114215_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 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1447981459.pdb -s /var/tmp/to_scwrl_1447981459.seq -o /var/tmp/from_scwrl_1447981459.pdb > /var/tmp/scwrl_1447981459.log sh: /var/tmp/scwrl_1447981459.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1447981459.pdb or /var/tmp/from_scwrl_1447981459.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1447981459_b.pdb or decoys//var/tmp/from_scwrl_1447981459_b.pdb.gz for input Trying /var/tmp/from_scwrl_1447981459_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1447981459_b.pdb or /var/tmp/from_scwrl_1447981459_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1447981459_a.pdb or decoys//var/tmp/from_scwrl_1447981459_a.pdb.gz for input Trying /var/tmp/from_scwrl_1447981459_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1447981459_a.pdb or /var/tmp/from_scwrl_1447981459_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1447981459.pdb or /var/tmp/from_scwrl_1447981459_b.pdb or /var/tmp/from_scwrl_1447981459_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 30 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1086028895.pdb -s /var/tmp/to_scwrl_1086028895.seq -o /var/tmp/from_scwrl_1086028895.pdb > /var/tmp/scwrl_1086028895.log sh: /var/tmp/scwrl_1086028895.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1086028895.pdb or /var/tmp/from_scwrl_1086028895.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1086028895_b.pdb or decoys//var/tmp/from_scwrl_1086028895_b.pdb.gz for input Trying /var/tmp/from_scwrl_1086028895_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1086028895_b.pdb or /var/tmp/from_scwrl_1086028895_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1086028895_a.pdb or decoys//var/tmp/from_scwrl_1086028895_a.pdb.gz for input Trying /var/tmp/from_scwrl_1086028895_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1086028895_a.pdb or /var/tmp/from_scwrl_1086028895_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1086028895.pdb or /var/tmp/from_scwrl_1086028895_b.pdb or /var/tmp/from_scwrl_1086028895_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 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1127048967.pdb -s /var/tmp/to_scwrl_1127048967.seq -o /var/tmp/from_scwrl_1127048967.pdb > /var/tmp/scwrl_1127048967.log sh: /var/tmp/scwrl_1127048967.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1127048967.pdb or /var/tmp/from_scwrl_1127048967.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1127048967_b.pdb or decoys//var/tmp/from_scwrl_1127048967_b.pdb.gz for input Trying /var/tmp/from_scwrl_1127048967_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1127048967_b.pdb or /var/tmp/from_scwrl_1127048967_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1127048967_a.pdb or decoys//var/tmp/from_scwrl_1127048967_a.pdb.gz for input Trying /var/tmp/from_scwrl_1127048967_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1127048967_a.pdb or /var/tmp/from_scwrl_1127048967_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1127048967.pdb or /var/tmp/from_scwrl_1127048967_b.pdb or /var/tmp/from_scwrl_1127048967_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 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1600322247.pdb -s /var/tmp/to_scwrl_1600322247.seq -o /var/tmp/from_scwrl_1600322247.pdb > /var/tmp/scwrl_1600322247.log sh: /var/tmp/scwrl_1600322247.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1600322247.pdb or /var/tmp/from_scwrl_1600322247.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1600322247_b.pdb or decoys//var/tmp/from_scwrl_1600322247_b.pdb.gz for input Trying /var/tmp/from_scwrl_1600322247_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1600322247_b.pdb or /var/tmp/from_scwrl_1600322247_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1600322247_a.pdb or decoys//var/tmp/from_scwrl_1600322247_a.pdb.gz for input Trying /var/tmp/from_scwrl_1600322247_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1600322247_a.pdb or /var/tmp/from_scwrl_1600322247_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1600322247.pdb or /var/tmp/from_scwrl_1600322247_b.pdb or /var/tmp/from_scwrl_1600322247_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 88 ; scwrl3 -i /var/tmp/to_scwrl_2076642329.pdb -s /var/tmp/to_scwrl_2076642329.seq -o /var/tmp/from_scwrl_2076642329.pdb > /var/tmp/scwrl_2076642329.log sh: /var/tmp/scwrl_2076642329.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2076642329.pdb or /var/tmp/from_scwrl_2076642329.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2076642329_b.pdb or decoys//var/tmp/from_scwrl_2076642329_b.pdb.gz for input Trying /var/tmp/from_scwrl_2076642329_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2076642329_b.pdb or /var/tmp/from_scwrl_2076642329_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2076642329_a.pdb or decoys//var/tmp/from_scwrl_2076642329_a.pdb.gz for input Trying /var/tmp/from_scwrl_2076642329_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2076642329_a.pdb or /var/tmp/from_scwrl_2076642329_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2076642329.pdb or /var/tmp/from_scwrl_2076642329_b.pdb or /var/tmp/from_scwrl_2076642329_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 88 ; scwrl3 -i /var/tmp/to_scwrl_348938225.pdb -s /var/tmp/to_scwrl_348938225.seq -o /var/tmp/from_scwrl_348938225.pdb > /var/tmp/scwrl_348938225.log sh: /var/tmp/scwrl_348938225.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_348938225.pdb or /var/tmp/from_scwrl_348938225.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_348938225_b.pdb or decoys//var/tmp/from_scwrl_348938225_b.pdb.gz for input Trying /var/tmp/from_scwrl_348938225_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_348938225_b.pdb or /var/tmp/from_scwrl_348938225_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_348938225_a.pdb or decoys//var/tmp/from_scwrl_348938225_a.pdb.gz for input Trying /var/tmp/from_scwrl_348938225_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_348938225_a.pdb or /var/tmp/from_scwrl_348938225_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_348938225.pdb or /var/tmp/from_scwrl_348938225_b.pdb or /var/tmp/from_scwrl_348938225_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 T0311 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_734612050.pdb -s /var/tmp/to_scwrl_734612050.seq -o /var/tmp/from_scwrl_734612050.pdb > /var/tmp/scwrl_734612050.log sh: /var/tmp/scwrl_734612050.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_734612050.pdb or /var/tmp/from_scwrl_734612050.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_734612050_b.pdb or decoys//var/tmp/from_scwrl_734612050_b.pdb.gz for input Trying /var/tmp/from_scwrl_734612050_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_734612050_b.pdb or /var/tmp/from_scwrl_734612050_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_734612050_a.pdb or decoys//var/tmp/from_scwrl_734612050_a.pdb.gz for input Trying /var/tmp/from_scwrl_734612050_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_734612050_a.pdb or /var/tmp/from_scwrl_734612050_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_734612050.pdb or /var/tmp/from_scwrl_734612050_b.pdb or /var/tmp/from_scwrl_734612050_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 T0311 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1105731608.pdb -s /var/tmp/to_scwrl_1105731608.seq -o /var/tmp/from_scwrl_1105731608.pdb > /var/tmp/scwrl_1105731608.log sh: /var/tmp/scwrl_1105731608.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1105731608.pdb or /var/tmp/from_scwrl_1105731608.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1105731608_b.pdb or decoys//var/tmp/from_scwrl_1105731608_b.pdb.gz for input Trying /var/tmp/from_scwrl_1105731608_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1105731608_b.pdb or /var/tmp/from_scwrl_1105731608_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1105731608_a.pdb or decoys//var/tmp/from_scwrl_1105731608_a.pdb.gz for input Trying /var/tmp/from_scwrl_1105731608_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1105731608_a.pdb or /var/tmp/from_scwrl_1105731608_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1105731608.pdb or /var/tmp/from_scwrl_1105731608_b.pdb or /var/tmp/from_scwrl_1105731608_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 T0311 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_395029993.pdb -s /var/tmp/to_scwrl_395029993.seq -o /var/tmp/from_scwrl_395029993.pdb > /var/tmp/scwrl_395029993.log sh: /var/tmp/scwrl_395029993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_395029993.pdb or /var/tmp/from_scwrl_395029993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_395029993_b.pdb or decoys//var/tmp/from_scwrl_395029993_b.pdb.gz for input Trying /var/tmp/from_scwrl_395029993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_395029993_b.pdb or /var/tmp/from_scwrl_395029993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_395029993_a.pdb or decoys//var/tmp/from_scwrl_395029993_a.pdb.gz for input Trying /var/tmp/from_scwrl_395029993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_395029993_a.pdb or /var/tmp/from_scwrl_395029993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_395029993.pdb or /var/tmp/from_scwrl_395029993_b.pdb or /var/tmp/from_scwrl_395029993_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 T0311 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1084652120.pdb -s /var/tmp/to_scwrl_1084652120.seq -o /var/tmp/from_scwrl_1084652120.pdb > /var/tmp/scwrl_1084652120.log sh: /var/tmp/scwrl_1084652120.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1084652120.pdb or /var/tmp/from_scwrl_1084652120.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1084652120_b.pdb or decoys//var/tmp/from_scwrl_1084652120_b.pdb.gz for input Trying /var/tmp/from_scwrl_1084652120_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1084652120_b.pdb or /var/tmp/from_scwrl_1084652120_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1084652120_a.pdb or decoys//var/tmp/from_scwrl_1084652120_a.pdb.gz for input Trying /var/tmp/from_scwrl_1084652120_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1084652120_a.pdb or /var/tmp/from_scwrl_1084652120_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1084652120.pdb or /var/tmp/from_scwrl_1084652120_b.pdb or /var/tmp/from_scwrl_1084652120_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 T0311 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_741840830.pdb -s /var/tmp/to_scwrl_741840830.seq -o /var/tmp/from_scwrl_741840830.pdb > /var/tmp/scwrl_741840830.log sh: /var/tmp/scwrl_741840830.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_741840830.pdb or /var/tmp/from_scwrl_741840830.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_741840830_b.pdb or decoys//var/tmp/from_scwrl_741840830_b.pdb.gz for input Trying /var/tmp/from_scwrl_741840830_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_741840830_b.pdb or /var/tmp/from_scwrl_741840830_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_741840830_a.pdb or decoys//var/tmp/from_scwrl_741840830_a.pdb.gz for input Trying /var/tmp/from_scwrl_741840830_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_741840830_a.pdb or /var/tmp/from_scwrl_741840830_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_741840830.pdb or /var/tmp/from_scwrl_741840830_b.pdb or /var/tmp/from_scwrl_741840830_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 T0311 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1035061606.pdb -s /var/tmp/to_scwrl_1035061606.seq -o /var/tmp/from_scwrl_1035061606.pdb > /var/tmp/scwrl_1035061606.log sh: /var/tmp/scwrl_1035061606.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1035061606.pdb or /var/tmp/from_scwrl_1035061606.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1035061606_b.pdb or decoys//var/tmp/from_scwrl_1035061606_b.pdb.gz for input Trying /var/tmp/from_scwrl_1035061606_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1035061606_b.pdb or /var/tmp/from_scwrl_1035061606_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1035061606_a.pdb or decoys//var/tmp/from_scwrl_1035061606_a.pdb.gz for input Trying /var/tmp/from_scwrl_1035061606_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1035061606_a.pdb or /var/tmp/from_scwrl_1035061606_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1035061606.pdb or /var/tmp/from_scwrl_1035061606_b.pdb or /var/tmp/from_scwrl_1035061606_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 T0311 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1491535896.pdb -s /var/tmp/to_scwrl_1491535896.seq -o /var/tmp/from_scwrl_1491535896.pdb > /var/tmp/scwrl_1491535896.log sh: /var/tmp/scwrl_1491535896.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1491535896.pdb or /var/tmp/from_scwrl_1491535896.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1491535896_b.pdb or decoys//var/tmp/from_scwrl_1491535896_b.pdb.gz for input Trying /var/tmp/from_scwrl_1491535896_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1491535896_b.pdb or /var/tmp/from_scwrl_1491535896_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1491535896_a.pdb or decoys//var/tmp/from_scwrl_1491535896_a.pdb.gz for input Trying /var/tmp/from_scwrl_1491535896_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1491535896_a.pdb or /var/tmp/from_scwrl_1491535896_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1491535896.pdb or /var/tmp/from_scwrl_1491535896_b.pdb or /var/tmp/from_scwrl_1491535896_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 T0311 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_439335212.pdb -s /var/tmp/to_scwrl_439335212.seq -o /var/tmp/from_scwrl_439335212.pdb > /var/tmp/scwrl_439335212.log sh: /var/tmp/scwrl_439335212.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_439335212.pdb or /var/tmp/from_scwrl_439335212.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_439335212_b.pdb or decoys//var/tmp/from_scwrl_439335212_b.pdb.gz for input Trying /var/tmp/from_scwrl_439335212_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_439335212_b.pdb or /var/tmp/from_scwrl_439335212_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_439335212_a.pdb or decoys//var/tmp/from_scwrl_439335212_a.pdb.gz for input Trying /var/tmp/from_scwrl_439335212_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_439335212_a.pdb or /var/tmp/from_scwrl_439335212_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_439335212.pdb or /var/tmp/from_scwrl_439335212_b.pdb or /var/tmp/from_scwrl_439335212_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 T0311 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_175295714.pdb -s /var/tmp/to_scwrl_175295714.seq -o /var/tmp/from_scwrl_175295714.pdb > /var/tmp/scwrl_175295714.log sh: /var/tmp/scwrl_175295714.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_175295714.pdb or /var/tmp/from_scwrl_175295714.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175295714_b.pdb or decoys//var/tmp/from_scwrl_175295714_b.pdb.gz for input Trying /var/tmp/from_scwrl_175295714_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_175295714_b.pdb or /var/tmp/from_scwrl_175295714_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175295714_a.pdb or decoys//var/tmp/from_scwrl_175295714_a.pdb.gz for input Trying /var/tmp/from_scwrl_175295714_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_175295714_a.pdb or /var/tmp/from_scwrl_175295714_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_175295714.pdb or /var/tmp/from_scwrl_175295714_b.pdb or /var/tmp/from_scwrl_175295714_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 T0311 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_959560511.pdb -s /var/tmp/to_scwrl_959560511.seq -o /var/tmp/from_scwrl_959560511.pdb > /var/tmp/scwrl_959560511.log sh: /var/tmp/scwrl_959560511.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_959560511.pdb or /var/tmp/from_scwrl_959560511.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_959560511_b.pdb or decoys//var/tmp/from_scwrl_959560511_b.pdb.gz for input Trying /var/tmp/from_scwrl_959560511_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_959560511_b.pdb or /var/tmp/from_scwrl_959560511_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_959560511_a.pdb or decoys//var/tmp/from_scwrl_959560511_a.pdb.gz for input Trying /var/tmp/from_scwrl_959560511_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_959560511_a.pdb or /var/tmp/from_scwrl_959560511_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_959560511.pdb or /var/tmp/from_scwrl_959560511_b.pdb or /var/tmp/from_scwrl_959560511_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_838434532.pdb -s /var/tmp/to_scwrl_838434532.seq -o /var/tmp/from_scwrl_838434532.pdb > /var/tmp/scwrl_838434532.log sh: /var/tmp/scwrl_838434532.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_838434532.pdb or /var/tmp/from_scwrl_838434532.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_838434532_b.pdb or decoys//var/tmp/from_scwrl_838434532_b.pdb.gz for input Trying /var/tmp/from_scwrl_838434532_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_838434532_b.pdb or /var/tmp/from_scwrl_838434532_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_838434532_a.pdb or decoys//var/tmp/from_scwrl_838434532_a.pdb.gz for input Trying /var/tmp/from_scwrl_838434532_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_838434532_a.pdb or /var/tmp/from_scwrl_838434532_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_838434532.pdb or /var/tmp/from_scwrl_838434532_b.pdb or /var/tmp/from_scwrl_838434532_a.pdb Error: no new SCWRL conformation added # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1022030323.pdb -s /var/tmp/to_scwrl_1022030323.seq -o /var/tmp/from_scwrl_1022030323.pdb > /var/tmp/scwrl_1022030323.log sh: /var/tmp/scwrl_1022030323.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1022030323.pdb or /var/tmp/from_scwrl_1022030323.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1022030323_b.pdb or decoys//var/tmp/from_scwrl_1022030323_b.pdb.gz for input Trying /var/tmp/from_scwrl_1022030323_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1022030323_b.pdb or /var/tmp/from_scwrl_1022030323_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1022030323_a.pdb or decoys//var/tmp/from_scwrl_1022030323_a.pdb.gz for input Trying /var/tmp/from_scwrl_1022030323_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1022030323_a.pdb or /var/tmp/from_scwrl_1022030323_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1022030323.pdb or /var/tmp/from_scwrl_1022030323_b.pdb or /var/tmp/from_scwrl_1022030323_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 6 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_959535208.pdb -s /var/tmp/to_scwrl_959535208.seq -o /var/tmp/from_scwrl_959535208.pdb > /var/tmp/scwrl_959535208.log sh: /var/tmp/scwrl_959535208.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_959535208.pdb or /var/tmp/from_scwrl_959535208.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_959535208_b.pdb or decoys//var/tmp/from_scwrl_959535208_b.pdb.gz for input Trying /var/tmp/from_scwrl_959535208_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_959535208_b.pdb or /var/tmp/from_scwrl_959535208_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_959535208_a.pdb or decoys//var/tmp/from_scwrl_959535208_a.pdb.gz for input Trying /var/tmp/from_scwrl_959535208_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_959535208_a.pdb or /var/tmp/from_scwrl_959535208_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_959535208.pdb or /var/tmp/from_scwrl_959535208_b.pdb or /var/tmp/from_scwrl_959535208_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 5 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_563166849.pdb -s /var/tmp/to_scwrl_563166849.seq -o /var/tmp/from_scwrl_563166849.pdb > /var/tmp/scwrl_563166849.log sh: /var/tmp/scwrl_563166849.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_563166849.pdb or /var/tmp/from_scwrl_563166849.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_563166849_b.pdb or decoys//var/tmp/from_scwrl_563166849_b.pdb.gz for input Trying /var/tmp/from_scwrl_563166849_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_563166849_b.pdb or /var/tmp/from_scwrl_563166849_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_563166849_a.pdb or decoys//var/tmp/from_scwrl_563166849_a.pdb.gz for input Trying /var/tmp/from_scwrl_563166849_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_563166849_a.pdb or /var/tmp/from_scwrl_563166849_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_563166849.pdb or /var/tmp/from_scwrl_563166849_b.pdb or /var/tmp/from_scwrl_563166849_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 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_225069731.pdb -s /var/tmp/to_scwrl_225069731.seq -o /var/tmp/from_scwrl_225069731.pdb > /var/tmp/scwrl_225069731.log sh: /var/tmp/scwrl_225069731.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_225069731.pdb or /var/tmp/from_scwrl_225069731.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_225069731_b.pdb or decoys//var/tmp/from_scwrl_225069731_b.pdb.gz for input Trying /var/tmp/from_scwrl_225069731_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_225069731_b.pdb or /var/tmp/from_scwrl_225069731_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_225069731_a.pdb or decoys//var/tmp/from_scwrl_225069731_a.pdb.gz for input Trying /var/tmp/from_scwrl_225069731_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_225069731_a.pdb or /var/tmp/from_scwrl_225069731_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_225069731.pdb or /var/tmp/from_scwrl_225069731_b.pdb or /var/tmp/from_scwrl_225069731_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 77 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1102204547.pdb -s /var/tmp/to_scwrl_1102204547.seq -o /var/tmp/from_scwrl_1102204547.pdb > /var/tmp/scwrl_1102204547.log sh: /var/tmp/scwrl_1102204547.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1102204547.pdb or /var/tmp/from_scwrl_1102204547.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1102204547_b.pdb or decoys//var/tmp/from_scwrl_1102204547_b.pdb.gz for input Trying /var/tmp/from_scwrl_1102204547_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1102204547_b.pdb or /var/tmp/from_scwrl_1102204547_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1102204547_a.pdb or decoys//var/tmp/from_scwrl_1102204547_a.pdb.gz for input Trying /var/tmp/from_scwrl_1102204547_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1102204547_a.pdb or /var/tmp/from_scwrl_1102204547_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1102204547.pdb or /var/tmp/from_scwrl_1102204547_b.pdb or /var/tmp/from_scwrl_1102204547_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 92 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_340452745.pdb -s /var/tmp/to_scwrl_340452745.seq -o /var/tmp/from_scwrl_340452745.pdb > /var/tmp/scwrl_340452745.log sh: /var/tmp/scwrl_340452745.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_340452745.pdb or /var/tmp/from_scwrl_340452745.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_340452745_b.pdb or decoys//var/tmp/from_scwrl_340452745_b.pdb.gz for input Trying /var/tmp/from_scwrl_340452745_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_340452745_b.pdb or /var/tmp/from_scwrl_340452745_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_340452745_a.pdb or decoys//var/tmp/from_scwrl_340452745_a.pdb.gz for input Trying /var/tmp/from_scwrl_340452745_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_340452745_a.pdb or /var/tmp/from_scwrl_340452745_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_340452745.pdb or /var/tmp/from_scwrl_340452745_b.pdb or /var/tmp/from_scwrl_340452745_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 96 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_702783159.pdb -s /var/tmp/to_scwrl_702783159.seq -o /var/tmp/from_scwrl_702783159.pdb > /var/tmp/scwrl_702783159.log sh: /var/tmp/scwrl_702783159.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_702783159.pdb or /var/tmp/from_scwrl_702783159.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_702783159_b.pdb or decoys//var/tmp/from_scwrl_702783159_b.pdb.gz for input Trying /var/tmp/from_scwrl_702783159_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_702783159_b.pdb or /var/tmp/from_scwrl_702783159_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_702783159_a.pdb or decoys//var/tmp/from_scwrl_702783159_a.pdb.gz for input Trying /var/tmp/from_scwrl_702783159_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_702783159_a.pdb or /var/tmp/from_scwrl_702783159_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_702783159.pdb or /var/tmp/from_scwrl_702783159_b.pdb or /var/tmp/from_scwrl_702783159_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 91 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_639835713.pdb -s /var/tmp/to_scwrl_639835713.seq -o /var/tmp/from_scwrl_639835713.pdb > /var/tmp/scwrl_639835713.log sh: /var/tmp/scwrl_639835713.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_639835713.pdb or /var/tmp/from_scwrl_639835713.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_639835713_b.pdb or decoys//var/tmp/from_scwrl_639835713_b.pdb.gz for input Trying /var/tmp/from_scwrl_639835713_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_639835713_b.pdb or /var/tmp/from_scwrl_639835713_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_639835713_a.pdb or decoys//var/tmp/from_scwrl_639835713_a.pdb.gz for input Trying /var/tmp/from_scwrl_639835713_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_639835713_a.pdb or /var/tmp/from_scwrl_639835713_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_639835713.pdb or /var/tmp/from_scwrl_639835713_b.pdb or /var/tmp/from_scwrl_639835713_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 96 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_734264193.pdb -s /var/tmp/to_scwrl_734264193.seq -o /var/tmp/from_scwrl_734264193.pdb > /var/tmp/scwrl_734264193.log sh: /var/tmp/scwrl_734264193.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_734264193.pdb or /var/tmp/from_scwrl_734264193.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_734264193_b.pdb or decoys//var/tmp/from_scwrl_734264193_b.pdb.gz for input Trying /var/tmp/from_scwrl_734264193_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_734264193_b.pdb or /var/tmp/from_scwrl_734264193_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_734264193_a.pdb or decoys//var/tmp/from_scwrl_734264193_a.pdb.gz for input Trying /var/tmp/from_scwrl_734264193_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_734264193_a.pdb or /var/tmp/from_scwrl_734264193_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_734264193.pdb or /var/tmp/from_scwrl_734264193_b.pdb or /var/tmp/from_scwrl_734264193_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 93 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_821206369.pdb -s /var/tmp/to_scwrl_821206369.seq -o /var/tmp/from_scwrl_821206369.pdb > /var/tmp/scwrl_821206369.log sh: /var/tmp/scwrl_821206369.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_821206369.pdb or /var/tmp/from_scwrl_821206369.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_821206369_b.pdb or decoys//var/tmp/from_scwrl_821206369_b.pdb.gz for input Trying /var/tmp/from_scwrl_821206369_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_821206369_b.pdb or /var/tmp/from_scwrl_821206369_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_821206369_a.pdb or decoys//var/tmp/from_scwrl_821206369_a.pdb.gz for input Trying /var/tmp/from_scwrl_821206369_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_821206369_a.pdb or /var/tmp/from_scwrl_821206369_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_821206369.pdb or /var/tmp/from_scwrl_821206369_b.pdb or /var/tmp/from_scwrl_821206369_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 T0311 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1187871519.pdb -s /var/tmp/to_scwrl_1187871519.seq -o /var/tmp/from_scwrl_1187871519.pdb > /var/tmp/scwrl_1187871519.log sh: /var/tmp/scwrl_1187871519.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1187871519.pdb or /var/tmp/from_scwrl_1187871519.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187871519_b.pdb or decoys//var/tmp/from_scwrl_1187871519_b.pdb.gz for input Trying /var/tmp/from_scwrl_1187871519_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187871519_b.pdb or /var/tmp/from_scwrl_1187871519_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187871519_a.pdb or decoys//var/tmp/from_scwrl_1187871519_a.pdb.gz for input Trying /var/tmp/from_scwrl_1187871519_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187871519_a.pdb or /var/tmp/from_scwrl_1187871519_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1187871519.pdb or /var/tmp/from_scwrl_1187871519_b.pdb or /var/tmp/from_scwrl_1187871519_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 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_515369222.pdb -s /var/tmp/to_scwrl_515369222.seq -o /var/tmp/from_scwrl_515369222.pdb > /var/tmp/scwrl_515369222.log sh: /var/tmp/scwrl_515369222.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_515369222.pdb or /var/tmp/from_scwrl_515369222.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_515369222_b.pdb or decoys//var/tmp/from_scwrl_515369222_b.pdb.gz for input Trying /var/tmp/from_scwrl_515369222_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_515369222_b.pdb or /var/tmp/from_scwrl_515369222_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_515369222_a.pdb or decoys//var/tmp/from_scwrl_515369222_a.pdb.gz for input Trying /var/tmp/from_scwrl_515369222_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_515369222_a.pdb or /var/tmp/from_scwrl_515369222_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_515369222.pdb or /var/tmp/from_scwrl_515369222_b.pdb or /var/tmp/from_scwrl_515369222_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 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_472656123.pdb -s /var/tmp/to_scwrl_472656123.seq -o /var/tmp/from_scwrl_472656123.pdb > /var/tmp/scwrl_472656123.log sh: /var/tmp/scwrl_472656123.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_472656123.pdb or /var/tmp/from_scwrl_472656123.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_472656123_b.pdb or decoys//var/tmp/from_scwrl_472656123_b.pdb.gz for input Trying /var/tmp/from_scwrl_472656123_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_472656123_b.pdb or /var/tmp/from_scwrl_472656123_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_472656123_a.pdb or decoys//var/tmp/from_scwrl_472656123_a.pdb.gz for input Trying /var/tmp/from_scwrl_472656123_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_472656123_a.pdb or /var/tmp/from_scwrl_472656123_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_472656123.pdb or /var/tmp/from_scwrl_472656123_b.pdb or /var/tmp/from_scwrl_472656123_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 64 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1677985735.pdb -s /var/tmp/to_scwrl_1677985735.seq -o /var/tmp/from_scwrl_1677985735.pdb > /var/tmp/scwrl_1677985735.log sh: /var/tmp/scwrl_1677985735.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1677985735.pdb or /var/tmp/from_scwrl_1677985735.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1677985735_b.pdb or decoys//var/tmp/from_scwrl_1677985735_b.pdb.gz for input Trying /var/tmp/from_scwrl_1677985735_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1677985735_b.pdb or /var/tmp/from_scwrl_1677985735_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1677985735_a.pdb or decoys//var/tmp/from_scwrl_1677985735_a.pdb.gz for input Trying /var/tmp/from_scwrl_1677985735_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1677985735_a.pdb or /var/tmp/from_scwrl_1677985735_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1677985735.pdb or /var/tmp/from_scwrl_1677985735_b.pdb or /var/tmp/from_scwrl_1677985735_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 96 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1963350682.pdb -s /var/tmp/to_scwrl_1963350682.seq -o /var/tmp/from_scwrl_1963350682.pdb > /var/tmp/scwrl_1963350682.log sh: /var/tmp/scwrl_1963350682.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1963350682.pdb or /var/tmp/from_scwrl_1963350682.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1963350682_b.pdb or decoys//var/tmp/from_scwrl_1963350682_b.pdb.gz for input Trying /var/tmp/from_scwrl_1963350682_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1963350682_b.pdb or /var/tmp/from_scwrl_1963350682_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1963350682_a.pdb or decoys//var/tmp/from_scwrl_1963350682_a.pdb.gz for input Trying /var/tmp/from_scwrl_1963350682_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1963350682_a.pdb or /var/tmp/from_scwrl_1963350682_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1963350682.pdb or /var/tmp/from_scwrl_1963350682_b.pdb or /var/tmp/from_scwrl_1963350682_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 93 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1558685018.pdb -s /var/tmp/to_scwrl_1558685018.seq -o /var/tmp/from_scwrl_1558685018.pdb > /var/tmp/scwrl_1558685018.log sh: /var/tmp/scwrl_1558685018.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1558685018.pdb or /var/tmp/from_scwrl_1558685018.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1558685018_b.pdb or decoys//var/tmp/from_scwrl_1558685018_b.pdb.gz for input Trying /var/tmp/from_scwrl_1558685018_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1558685018_b.pdb or /var/tmp/from_scwrl_1558685018_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1558685018_a.pdb or decoys//var/tmp/from_scwrl_1558685018_a.pdb.gz for input Trying /var/tmp/from_scwrl_1558685018_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1558685018_a.pdb or /var/tmp/from_scwrl_1558685018_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1558685018.pdb or /var/tmp/from_scwrl_1558685018_b.pdb or /var/tmp/from_scwrl_1558685018_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 88 ; scwrl3 -i /var/tmp/to_scwrl_657551056.pdb -s /var/tmp/to_scwrl_657551056.seq -o /var/tmp/from_scwrl_657551056.pdb > /var/tmp/scwrl_657551056.log sh: /var/tmp/scwrl_657551056.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_657551056.pdb or /var/tmp/from_scwrl_657551056.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_657551056_b.pdb or decoys//var/tmp/from_scwrl_657551056_b.pdb.gz for input Trying /var/tmp/from_scwrl_657551056_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_657551056_b.pdb or /var/tmp/from_scwrl_657551056_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_657551056_a.pdb or decoys//var/tmp/from_scwrl_657551056_a.pdb.gz for input Trying /var/tmp/from_scwrl_657551056_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_657551056_a.pdb or /var/tmp/from_scwrl_657551056_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_657551056.pdb or /var/tmp/from_scwrl_657551056_b.pdb or /var/tmp/from_scwrl_657551056_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 88 ; scwrl3 -i /var/tmp/to_scwrl_1416189282.pdb -s /var/tmp/to_scwrl_1416189282.seq -o /var/tmp/from_scwrl_1416189282.pdb > /var/tmp/scwrl_1416189282.log sh: /var/tmp/scwrl_1416189282.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1416189282.pdb or /var/tmp/from_scwrl_1416189282.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1416189282_b.pdb or decoys//var/tmp/from_scwrl_1416189282_b.pdb.gz for input Trying /var/tmp/from_scwrl_1416189282_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1416189282_b.pdb or /var/tmp/from_scwrl_1416189282_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1416189282_a.pdb or decoys//var/tmp/from_scwrl_1416189282_a.pdb.gz for input Trying /var/tmp/from_scwrl_1416189282_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1416189282_a.pdb or /var/tmp/from_scwrl_1416189282_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1416189282.pdb or /var/tmp/from_scwrl_1416189282_b.pdb or /var/tmp/from_scwrl_1416189282_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 88 ; scwrl3 -i /var/tmp/to_scwrl_1487843701.pdb -s /var/tmp/to_scwrl_1487843701.seq -o /var/tmp/from_scwrl_1487843701.pdb > /var/tmp/scwrl_1487843701.log sh: /var/tmp/scwrl_1487843701.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1487843701.pdb or /var/tmp/from_scwrl_1487843701.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1487843701_b.pdb or decoys//var/tmp/from_scwrl_1487843701_b.pdb.gz for input Trying /var/tmp/from_scwrl_1487843701_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1487843701_b.pdb or /var/tmp/from_scwrl_1487843701_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1487843701_a.pdb or decoys//var/tmp/from_scwrl_1487843701_a.pdb.gz for input Trying /var/tmp/from_scwrl_1487843701_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1487843701_a.pdb or /var/tmp/from_scwrl_1487843701_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1487843701.pdb or /var/tmp/from_scwrl_1487843701_b.pdb or /var/tmp/from_scwrl_1487843701_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 88 ; scwrl3 -i /var/tmp/to_scwrl_1006489281.pdb -s /var/tmp/to_scwrl_1006489281.seq -o /var/tmp/from_scwrl_1006489281.pdb > /var/tmp/scwrl_1006489281.log sh: /var/tmp/scwrl_1006489281.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1006489281.pdb or /var/tmp/from_scwrl_1006489281.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1006489281_b.pdb or decoys//var/tmp/from_scwrl_1006489281_b.pdb.gz for input Trying /var/tmp/from_scwrl_1006489281_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1006489281_b.pdb or /var/tmp/from_scwrl_1006489281_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1006489281_a.pdb or decoys//var/tmp/from_scwrl_1006489281_a.pdb.gz for input Trying /var/tmp/from_scwrl_1006489281_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1006489281_a.pdb or /var/tmp/from_scwrl_1006489281_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1006489281.pdb or /var/tmp/from_scwrl_1006489281_b.pdb or /var/tmp/from_scwrl_1006489281_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 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_3317685.pdb -s /var/tmp/to_scwrl_3317685.seq -o /var/tmp/from_scwrl_3317685.pdb > /var/tmp/scwrl_3317685.log sh: /var/tmp/scwrl_3317685.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_3317685.pdb or /var/tmp/from_scwrl_3317685.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3317685_b.pdb or decoys//var/tmp/from_scwrl_3317685_b.pdb.gz for input Trying /var/tmp/from_scwrl_3317685_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_3317685_b.pdb or /var/tmp/from_scwrl_3317685_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3317685_a.pdb or decoys//var/tmp/from_scwrl_3317685_a.pdb.gz for input Trying /var/tmp/from_scwrl_3317685_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_3317685_a.pdb or /var/tmp/from_scwrl_3317685_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_3317685.pdb or /var/tmp/from_scwrl_3317685_b.pdb or /var/tmp/from_scwrl_3317685_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 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_446091663.pdb -s /var/tmp/to_scwrl_446091663.seq -o /var/tmp/from_scwrl_446091663.pdb > /var/tmp/scwrl_446091663.log sh: /var/tmp/scwrl_446091663.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_446091663.pdb or /var/tmp/from_scwrl_446091663.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_446091663_b.pdb or decoys//var/tmp/from_scwrl_446091663_b.pdb.gz for input Trying /var/tmp/from_scwrl_446091663_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_446091663_b.pdb or /var/tmp/from_scwrl_446091663_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_446091663_a.pdb or decoys//var/tmp/from_scwrl_446091663_a.pdb.gz for input Trying /var/tmp/from_scwrl_446091663_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_446091663_a.pdb or /var/tmp/from_scwrl_446091663_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_446091663.pdb or /var/tmp/from_scwrl_446091663_b.pdb or /var/tmp/from_scwrl_446091663_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1401519274.pdb -s /var/tmp/to_scwrl_1401519274.seq -o /var/tmp/from_scwrl_1401519274.pdb > /var/tmp/scwrl_1401519274.log sh: /var/tmp/scwrl_1401519274.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1401519274.pdb or /var/tmp/from_scwrl_1401519274.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1401519274_b.pdb or decoys//var/tmp/from_scwrl_1401519274_b.pdb.gz for input Trying /var/tmp/from_scwrl_1401519274_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1401519274_b.pdb or /var/tmp/from_scwrl_1401519274_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1401519274_a.pdb or decoys//var/tmp/from_scwrl_1401519274_a.pdb.gz for input Trying /var/tmp/from_scwrl_1401519274_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1401519274_a.pdb or /var/tmp/from_scwrl_1401519274_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1401519274.pdb or /var/tmp/from_scwrl_1401519274_b.pdb or /var/tmp/from_scwrl_1401519274_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 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1087969805.pdb -s /var/tmp/to_scwrl_1087969805.seq -o /var/tmp/from_scwrl_1087969805.pdb > /var/tmp/scwrl_1087969805.log sh: /var/tmp/scwrl_1087969805.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1087969805.pdb or /var/tmp/from_scwrl_1087969805.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087969805_b.pdb or decoys//var/tmp/from_scwrl_1087969805_b.pdb.gz for input Trying /var/tmp/from_scwrl_1087969805_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087969805_b.pdb or /var/tmp/from_scwrl_1087969805_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087969805_a.pdb or decoys//var/tmp/from_scwrl_1087969805_a.pdb.gz for input Trying /var/tmp/from_scwrl_1087969805_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087969805_a.pdb or /var/tmp/from_scwrl_1087969805_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1087969805.pdb or /var/tmp/from_scwrl_1087969805_b.pdb or /var/tmp/from_scwrl_1087969805_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1187932492.pdb -s /var/tmp/to_scwrl_1187932492.seq -o /var/tmp/from_scwrl_1187932492.pdb > /var/tmp/scwrl_1187932492.log sh: /var/tmp/scwrl_1187932492.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1187932492.pdb or /var/tmp/from_scwrl_1187932492.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187932492_b.pdb or decoys//var/tmp/from_scwrl_1187932492_b.pdb.gz for input Trying /var/tmp/from_scwrl_1187932492_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187932492_b.pdb or /var/tmp/from_scwrl_1187932492_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187932492_a.pdb or decoys//var/tmp/from_scwrl_1187932492_a.pdb.gz for input Trying /var/tmp/from_scwrl_1187932492_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187932492_a.pdb or /var/tmp/from_scwrl_1187932492_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1187932492.pdb or /var/tmp/from_scwrl_1187932492_b.pdb or /var/tmp/from_scwrl_1187932492_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_289097233.pdb -s /var/tmp/to_scwrl_289097233.seq -o /var/tmp/from_scwrl_289097233.pdb > /var/tmp/scwrl_289097233.log sh: /var/tmp/scwrl_289097233.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_289097233.pdb or /var/tmp/from_scwrl_289097233.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_289097233_b.pdb or decoys//var/tmp/from_scwrl_289097233_b.pdb.gz for input Trying /var/tmp/from_scwrl_289097233_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_289097233_b.pdb or /var/tmp/from_scwrl_289097233_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_289097233_a.pdb or decoys//var/tmp/from_scwrl_289097233_a.pdb.gz for input Trying /var/tmp/from_scwrl_289097233_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_289097233_a.pdb or /var/tmp/from_scwrl_289097233_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_289097233.pdb or /var/tmp/from_scwrl_289097233_b.pdb or /var/tmp/from_scwrl_289097233_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_432022055.pdb -s /var/tmp/to_scwrl_432022055.seq -o /var/tmp/from_scwrl_432022055.pdb > /var/tmp/scwrl_432022055.log sh: /var/tmp/scwrl_432022055.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_432022055.pdb or /var/tmp/from_scwrl_432022055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_432022055_b.pdb or decoys//var/tmp/from_scwrl_432022055_b.pdb.gz for input Trying /var/tmp/from_scwrl_432022055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_432022055_b.pdb or /var/tmp/from_scwrl_432022055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_432022055_a.pdb or decoys//var/tmp/from_scwrl_432022055_a.pdb.gz for input Trying /var/tmp/from_scwrl_432022055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_432022055_a.pdb or /var/tmp/from_scwrl_432022055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_432022055.pdb or /var/tmp/from_scwrl_432022055_b.pdb or /var/tmp/from_scwrl_432022055_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 T0311 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1627267704.pdb -s /var/tmp/to_scwrl_1627267704.seq -o /var/tmp/from_scwrl_1627267704.pdb > /var/tmp/scwrl_1627267704.log sh: /var/tmp/scwrl_1627267704.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1627267704.pdb or /var/tmp/from_scwrl_1627267704.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1627267704_b.pdb or decoys//var/tmp/from_scwrl_1627267704_b.pdb.gz for input Trying /var/tmp/from_scwrl_1627267704_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1627267704_b.pdb or /var/tmp/from_scwrl_1627267704_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1627267704_a.pdb or decoys//var/tmp/from_scwrl_1627267704_a.pdb.gz for input Trying /var/tmp/from_scwrl_1627267704_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1627267704_a.pdb or /var/tmp/from_scwrl_1627267704_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1627267704.pdb or /var/tmp/from_scwrl_1627267704_b.pdb or /var/tmp/from_scwrl_1627267704_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_464392947.pdb -s /var/tmp/to_scwrl_464392947.seq -o /var/tmp/from_scwrl_464392947.pdb > /var/tmp/scwrl_464392947.log sh: /var/tmp/scwrl_464392947.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_464392947.pdb or /var/tmp/from_scwrl_464392947.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_464392947_b.pdb or decoys//var/tmp/from_scwrl_464392947_b.pdb.gz for input Trying /var/tmp/from_scwrl_464392947_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_464392947_b.pdb or /var/tmp/from_scwrl_464392947_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_464392947_a.pdb or decoys//var/tmp/from_scwrl_464392947_a.pdb.gz for input Trying /var/tmp/from_scwrl_464392947_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_464392947_a.pdb or /var/tmp/from_scwrl_464392947_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_464392947.pdb or /var/tmp/from_scwrl_464392947_b.pdb or /var/tmp/from_scwrl_464392947_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1391582565.pdb -s /var/tmp/to_scwrl_1391582565.seq -o /var/tmp/from_scwrl_1391582565.pdb > /var/tmp/scwrl_1391582565.log sh: /var/tmp/scwrl_1391582565.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1391582565.pdb or /var/tmp/from_scwrl_1391582565.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1391582565_b.pdb or decoys//var/tmp/from_scwrl_1391582565_b.pdb.gz for input Trying /var/tmp/from_scwrl_1391582565_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1391582565_b.pdb or /var/tmp/from_scwrl_1391582565_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1391582565_a.pdb or decoys//var/tmp/from_scwrl_1391582565_a.pdb.gz for input Trying /var/tmp/from_scwrl_1391582565_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1391582565_a.pdb or /var/tmp/from_scwrl_1391582565_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1391582565.pdb or /var/tmp/from_scwrl_1391582565_b.pdb or /var/tmp/from_scwrl_1391582565_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_318218590.pdb -s /var/tmp/to_scwrl_318218590.seq -o /var/tmp/from_scwrl_318218590.pdb > /var/tmp/scwrl_318218590.log sh: /var/tmp/scwrl_318218590.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_318218590.pdb or /var/tmp/from_scwrl_318218590.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_318218590_b.pdb or decoys//var/tmp/from_scwrl_318218590_b.pdb.gz for input Trying /var/tmp/from_scwrl_318218590_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_318218590_b.pdb or /var/tmp/from_scwrl_318218590_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_318218590_a.pdb or decoys//var/tmp/from_scwrl_318218590_a.pdb.gz for input Trying /var/tmp/from_scwrl_318218590_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_318218590_a.pdb or /var/tmp/from_scwrl_318218590_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_318218590.pdb or /var/tmp/from_scwrl_318218590_b.pdb or /var/tmp/from_scwrl_318218590_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 T0311 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1486423269.pdb -s /var/tmp/to_scwrl_1486423269.seq -o /var/tmp/from_scwrl_1486423269.pdb > /var/tmp/scwrl_1486423269.log sh: /var/tmp/scwrl_1486423269.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1486423269.pdb or /var/tmp/from_scwrl_1486423269.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1486423269_b.pdb or decoys//var/tmp/from_scwrl_1486423269_b.pdb.gz for input Trying /var/tmp/from_scwrl_1486423269_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1486423269_b.pdb or /var/tmp/from_scwrl_1486423269_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1486423269_a.pdb or decoys//var/tmp/from_scwrl_1486423269_a.pdb.gz for input Trying /var/tmp/from_scwrl_1486423269_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1486423269_a.pdb or /var/tmp/from_scwrl_1486423269_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1486423269.pdb or /var/tmp/from_scwrl_1486423269_b.pdb or /var/tmp/from_scwrl_1486423269_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_203634126.pdb -s /var/tmp/to_scwrl_203634126.seq -o /var/tmp/from_scwrl_203634126.pdb > /var/tmp/scwrl_203634126.log sh: /var/tmp/scwrl_203634126.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_203634126.pdb or /var/tmp/from_scwrl_203634126.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_203634126_b.pdb or decoys//var/tmp/from_scwrl_203634126_b.pdb.gz for input Trying /var/tmp/from_scwrl_203634126_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_203634126_b.pdb or /var/tmp/from_scwrl_203634126_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_203634126_a.pdb or decoys//var/tmp/from_scwrl_203634126_a.pdb.gz for input Trying /var/tmp/from_scwrl_203634126_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_203634126_a.pdb or /var/tmp/from_scwrl_203634126_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_203634126.pdb or /var/tmp/from_scwrl_203634126_b.pdb or /var/tmp/from_scwrl_203634126_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_881385439.pdb -s /var/tmp/to_scwrl_881385439.seq -o /var/tmp/from_scwrl_881385439.pdb > /var/tmp/scwrl_881385439.log sh: /var/tmp/scwrl_881385439.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_881385439.pdb or /var/tmp/from_scwrl_881385439.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_881385439_b.pdb or decoys//var/tmp/from_scwrl_881385439_b.pdb.gz for input Trying /var/tmp/from_scwrl_881385439_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_881385439_b.pdb or /var/tmp/from_scwrl_881385439_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_881385439_a.pdb or decoys//var/tmp/from_scwrl_881385439_a.pdb.gz for input Trying /var/tmp/from_scwrl_881385439_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_881385439_a.pdb or /var/tmp/from_scwrl_881385439_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_881385439.pdb or /var/tmp/from_scwrl_881385439_b.pdb or /var/tmp/from_scwrl_881385439_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1711493001.pdb -s /var/tmp/to_scwrl_1711493001.seq -o /var/tmp/from_scwrl_1711493001.pdb > /var/tmp/scwrl_1711493001.log sh: /var/tmp/scwrl_1711493001.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1711493001.pdb or /var/tmp/from_scwrl_1711493001.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1711493001_b.pdb or decoys//var/tmp/from_scwrl_1711493001_b.pdb.gz for input Trying /var/tmp/from_scwrl_1711493001_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1711493001_b.pdb or /var/tmp/from_scwrl_1711493001_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1711493001_a.pdb or decoys//var/tmp/from_scwrl_1711493001_a.pdb.gz for input Trying /var/tmp/from_scwrl_1711493001_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1711493001_a.pdb or /var/tmp/from_scwrl_1711493001_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1711493001.pdb or /var/tmp/from_scwrl_1711493001_b.pdb or /var/tmp/from_scwrl_1711493001_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1305838674.pdb -s /var/tmp/to_scwrl_1305838674.seq -o /var/tmp/from_scwrl_1305838674.pdb > /var/tmp/scwrl_1305838674.log sh: /var/tmp/scwrl_1305838674.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1305838674.pdb or /var/tmp/from_scwrl_1305838674.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1305838674_b.pdb or decoys//var/tmp/from_scwrl_1305838674_b.pdb.gz for input Trying /var/tmp/from_scwrl_1305838674_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1305838674_b.pdb or /var/tmp/from_scwrl_1305838674_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1305838674_a.pdb or decoys//var/tmp/from_scwrl_1305838674_a.pdb.gz for input Trying /var/tmp/from_scwrl_1305838674_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1305838674_a.pdb or /var/tmp/from_scwrl_1305838674_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1305838674.pdb or /var/tmp/from_scwrl_1305838674_b.pdb or /var/tmp/from_scwrl_1305838674_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1221838183.pdb -s /var/tmp/to_scwrl_1221838183.seq -o /var/tmp/from_scwrl_1221838183.pdb > /var/tmp/scwrl_1221838183.log sh: /var/tmp/scwrl_1221838183.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1221838183.pdb or /var/tmp/from_scwrl_1221838183.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1221838183_b.pdb or decoys//var/tmp/from_scwrl_1221838183_b.pdb.gz for input Trying /var/tmp/from_scwrl_1221838183_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1221838183_b.pdb or /var/tmp/from_scwrl_1221838183_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1221838183_a.pdb or decoys//var/tmp/from_scwrl_1221838183_a.pdb.gz for input Trying /var/tmp/from_scwrl_1221838183_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1221838183_a.pdb or /var/tmp/from_scwrl_1221838183_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1221838183.pdb or /var/tmp/from_scwrl_1221838183_b.pdb or /var/tmp/from_scwrl_1221838183_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_266792513.pdb -s /var/tmp/to_scwrl_266792513.seq -o /var/tmp/from_scwrl_266792513.pdb > /var/tmp/scwrl_266792513.log sh: /var/tmp/scwrl_266792513.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_266792513.pdb or /var/tmp/from_scwrl_266792513.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_266792513_b.pdb or decoys//var/tmp/from_scwrl_266792513_b.pdb.gz for input Trying /var/tmp/from_scwrl_266792513_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_266792513_b.pdb or /var/tmp/from_scwrl_266792513_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_266792513_a.pdb or decoys//var/tmp/from_scwrl_266792513_a.pdb.gz for input Trying /var/tmp/from_scwrl_266792513_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_266792513_a.pdb or /var/tmp/from_scwrl_266792513_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_266792513.pdb or /var/tmp/from_scwrl_266792513_b.pdb or /var/tmp/from_scwrl_266792513_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1945674387.pdb -s /var/tmp/to_scwrl_1945674387.seq -o /var/tmp/from_scwrl_1945674387.pdb > /var/tmp/scwrl_1945674387.log sh: /var/tmp/scwrl_1945674387.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1945674387.pdb or /var/tmp/from_scwrl_1945674387.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1945674387_b.pdb or decoys//var/tmp/from_scwrl_1945674387_b.pdb.gz for input Trying /var/tmp/from_scwrl_1945674387_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1945674387_b.pdb or /var/tmp/from_scwrl_1945674387_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1945674387_a.pdb or decoys//var/tmp/from_scwrl_1945674387_a.pdb.gz for input Trying /var/tmp/from_scwrl_1945674387_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1945674387_a.pdb or /var/tmp/from_scwrl_1945674387_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1945674387.pdb or /var/tmp/from_scwrl_1945674387_b.pdb or /var/tmp/from_scwrl_1945674387_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 T0311 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1956102376.pdb -s /var/tmp/to_scwrl_1956102376.seq -o /var/tmp/from_scwrl_1956102376.pdb > /var/tmp/scwrl_1956102376.log sh: /var/tmp/scwrl_1956102376.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1956102376.pdb or /var/tmp/from_scwrl_1956102376.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1956102376_b.pdb or decoys//var/tmp/from_scwrl_1956102376_b.pdb.gz for input Trying /var/tmp/from_scwrl_1956102376_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1956102376_b.pdb or /var/tmp/from_scwrl_1956102376_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1956102376_a.pdb or decoys//var/tmp/from_scwrl_1956102376_a.pdb.gz for input Trying /var/tmp/from_scwrl_1956102376_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1956102376_a.pdb or /var/tmp/from_scwrl_1956102376_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1956102376.pdb or /var/tmp/from_scwrl_1956102376_b.pdb or /var/tmp/from_scwrl_1956102376_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 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1087998881.pdb -s /var/tmp/to_scwrl_1087998881.seq -o /var/tmp/from_scwrl_1087998881.pdb > /var/tmp/scwrl_1087998881.log sh: /var/tmp/scwrl_1087998881.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1087998881.pdb or /var/tmp/from_scwrl_1087998881.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087998881_b.pdb or decoys//var/tmp/from_scwrl_1087998881_b.pdb.gz for input Trying /var/tmp/from_scwrl_1087998881_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087998881_b.pdb or /var/tmp/from_scwrl_1087998881_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087998881_a.pdb or decoys//var/tmp/from_scwrl_1087998881_a.pdb.gz for input Trying /var/tmp/from_scwrl_1087998881_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087998881_a.pdb or /var/tmp/from_scwrl_1087998881_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1087998881.pdb or /var/tmp/from_scwrl_1087998881_b.pdb or /var/tmp/from_scwrl_1087998881_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_986062261.pdb -s /var/tmp/to_scwrl_986062261.seq -o /var/tmp/from_scwrl_986062261.pdb > /var/tmp/scwrl_986062261.log sh: /var/tmp/scwrl_986062261.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_986062261.pdb or /var/tmp/from_scwrl_986062261.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_986062261_b.pdb or decoys//var/tmp/from_scwrl_986062261_b.pdb.gz for input Trying /var/tmp/from_scwrl_986062261_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_986062261_b.pdb or /var/tmp/from_scwrl_986062261_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_986062261_a.pdb or decoys//var/tmp/from_scwrl_986062261_a.pdb.gz for input Trying /var/tmp/from_scwrl_986062261_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_986062261_a.pdb or /var/tmp/from_scwrl_986062261_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_986062261.pdb or /var/tmp/from_scwrl_986062261_b.pdb or /var/tmp/from_scwrl_986062261_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 88 ; scwrl3 -i /var/tmp/to_scwrl_323987952.pdb -s /var/tmp/to_scwrl_323987952.seq -o /var/tmp/from_scwrl_323987952.pdb > /var/tmp/scwrl_323987952.log sh: /var/tmp/scwrl_323987952.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_323987952.pdb or /var/tmp/from_scwrl_323987952.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_323987952_b.pdb or decoys//var/tmp/from_scwrl_323987952_b.pdb.gz for input Trying /var/tmp/from_scwrl_323987952_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_323987952_b.pdb or /var/tmp/from_scwrl_323987952_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_323987952_a.pdb or decoys//var/tmp/from_scwrl_323987952_a.pdb.gz for input Trying /var/tmp/from_scwrl_323987952_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_323987952_a.pdb or /var/tmp/from_scwrl_323987952_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_323987952.pdb or /var/tmp/from_scwrl_323987952_b.pdb or /var/tmp/from_scwrl_323987952_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 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1560655004.pdb -s /var/tmp/to_scwrl_1560655004.seq -o /var/tmp/from_scwrl_1560655004.pdb > /var/tmp/scwrl_1560655004.log sh: /var/tmp/scwrl_1560655004.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1560655004.pdb or /var/tmp/from_scwrl_1560655004.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1560655004_b.pdb or decoys//var/tmp/from_scwrl_1560655004_b.pdb.gz for input Trying /var/tmp/from_scwrl_1560655004_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1560655004_b.pdb or /var/tmp/from_scwrl_1560655004_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1560655004_a.pdb or decoys//var/tmp/from_scwrl_1560655004_a.pdb.gz for input Trying /var/tmp/from_scwrl_1560655004_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1560655004_a.pdb or /var/tmp/from_scwrl_1560655004_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1560655004.pdb or /var/tmp/from_scwrl_1560655004_b.pdb or /var/tmp/from_scwrl_1560655004_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 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_516564349.pdb -s /var/tmp/to_scwrl_516564349.seq -o /var/tmp/from_scwrl_516564349.pdb > /var/tmp/scwrl_516564349.log sh: /var/tmp/scwrl_516564349.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_516564349.pdb or /var/tmp/from_scwrl_516564349.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516564349_b.pdb or decoys//var/tmp/from_scwrl_516564349_b.pdb.gz for input Trying /var/tmp/from_scwrl_516564349_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_516564349_b.pdb or /var/tmp/from_scwrl_516564349_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516564349_a.pdb or decoys//var/tmp/from_scwrl_516564349_a.pdb.gz for input Trying /var/tmp/from_scwrl_516564349_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_516564349_a.pdb or /var/tmp/from_scwrl_516564349_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_516564349.pdb or /var/tmp/from_scwrl_516564349_b.pdb or /var/tmp/from_scwrl_516564349_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 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_139854987.pdb -s /var/tmp/to_scwrl_139854987.seq -o /var/tmp/from_scwrl_139854987.pdb > /var/tmp/scwrl_139854987.log sh: /var/tmp/scwrl_139854987.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_139854987.pdb or /var/tmp/from_scwrl_139854987.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_139854987_b.pdb or decoys//var/tmp/from_scwrl_139854987_b.pdb.gz for input Trying /var/tmp/from_scwrl_139854987_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_139854987_b.pdb or /var/tmp/from_scwrl_139854987_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_139854987_a.pdb or decoys//var/tmp/from_scwrl_139854987_a.pdb.gz for input Trying /var/tmp/from_scwrl_139854987_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_139854987_a.pdb or /var/tmp/from_scwrl_139854987_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_139854987.pdb or /var/tmp/from_scwrl_139854987_b.pdb or /var/tmp/from_scwrl_139854987_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 # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_971856376.pdb -s /var/tmp/to_scwrl_971856376.seq -o /var/tmp/from_scwrl_971856376.pdb > /var/tmp/scwrl_971856376.log sh: /var/tmp/scwrl_971856376.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_971856376.pdb or /var/tmp/from_scwrl_971856376.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_971856376_b.pdb or decoys//var/tmp/from_scwrl_971856376_b.pdb.gz for input Trying /var/tmp/from_scwrl_971856376_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_971856376_b.pdb or /var/tmp/from_scwrl_971856376_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_971856376_a.pdb or decoys//var/tmp/from_scwrl_971856376_a.pdb.gz for input Trying /var/tmp/from_scwrl_971856376_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_971856376_a.pdb or /var/tmp/from_scwrl_971856376_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_971856376.pdb or /var/tmp/from_scwrl_971856376_b.pdb or /var/tmp/from_scwrl_971856376_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 65 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1174115404.pdb -s /var/tmp/to_scwrl_1174115404.seq -o /var/tmp/from_scwrl_1174115404.pdb > /var/tmp/scwrl_1174115404.log sh: /var/tmp/scwrl_1174115404.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1174115404.pdb or /var/tmp/from_scwrl_1174115404.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174115404_b.pdb or decoys//var/tmp/from_scwrl_1174115404_b.pdb.gz for input Trying /var/tmp/from_scwrl_1174115404_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174115404_b.pdb or /var/tmp/from_scwrl_1174115404_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174115404_a.pdb or decoys//var/tmp/from_scwrl_1174115404_a.pdb.gz for input Trying /var/tmp/from_scwrl_1174115404_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174115404_a.pdb or /var/tmp/from_scwrl_1174115404_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1174115404.pdb or /var/tmp/from_scwrl_1174115404_b.pdb or /var/tmp/from_scwrl_1174115404_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 96 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1556044269.pdb -s /var/tmp/to_scwrl_1556044269.seq -o /var/tmp/from_scwrl_1556044269.pdb > /var/tmp/scwrl_1556044269.log sh: /var/tmp/scwrl_1556044269.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1556044269.pdb or /var/tmp/from_scwrl_1556044269.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1556044269_b.pdb or decoys//var/tmp/from_scwrl_1556044269_b.pdb.gz for input Trying /var/tmp/from_scwrl_1556044269_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1556044269_b.pdb or /var/tmp/from_scwrl_1556044269_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1556044269_a.pdb or decoys//var/tmp/from_scwrl_1556044269_a.pdb.gz for input Trying /var/tmp/from_scwrl_1556044269_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1556044269_a.pdb or /var/tmp/from_scwrl_1556044269_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1556044269.pdb or /var/tmp/from_scwrl_1556044269_b.pdb or /var/tmp/from_scwrl_1556044269_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 96 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_312216430.pdb -s /var/tmp/to_scwrl_312216430.seq -o /var/tmp/from_scwrl_312216430.pdb > /var/tmp/scwrl_312216430.log sh: /var/tmp/scwrl_312216430.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_312216430.pdb or /var/tmp/from_scwrl_312216430.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_312216430_b.pdb or decoys//var/tmp/from_scwrl_312216430_b.pdb.gz for input Trying /var/tmp/from_scwrl_312216430_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_312216430_b.pdb or /var/tmp/from_scwrl_312216430_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_312216430_a.pdb or decoys//var/tmp/from_scwrl_312216430_a.pdb.gz for input Trying /var/tmp/from_scwrl_312216430_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_312216430_a.pdb or /var/tmp/from_scwrl_312216430_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_312216430.pdb or /var/tmp/from_scwrl_312216430_b.pdb or /var/tmp/from_scwrl_312216430_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 96 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_33121039.pdb -s /var/tmp/to_scwrl_33121039.seq -o /var/tmp/from_scwrl_33121039.pdb > /var/tmp/scwrl_33121039.log sh: /var/tmp/scwrl_33121039.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_33121039.pdb or /var/tmp/from_scwrl_33121039.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_33121039_b.pdb or decoys//var/tmp/from_scwrl_33121039_b.pdb.gz for input Trying /var/tmp/from_scwrl_33121039_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_33121039_b.pdb or /var/tmp/from_scwrl_33121039_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_33121039_a.pdb or decoys//var/tmp/from_scwrl_33121039_a.pdb.gz for input Trying /var/tmp/from_scwrl_33121039_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_33121039_a.pdb or /var/tmp/from_scwrl_33121039_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_33121039.pdb or /var/tmp/from_scwrl_33121039_b.pdb or /var/tmp/from_scwrl_33121039_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 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1559361954.pdb -s /var/tmp/to_scwrl_1559361954.seq -o /var/tmp/from_scwrl_1559361954.pdb > /var/tmp/scwrl_1559361954.log sh: /var/tmp/scwrl_1559361954.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1559361954.pdb or /var/tmp/from_scwrl_1559361954.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1559361954_b.pdb or decoys//var/tmp/from_scwrl_1559361954_b.pdb.gz for input Trying /var/tmp/from_scwrl_1559361954_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1559361954_b.pdb or /var/tmp/from_scwrl_1559361954_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1559361954_a.pdb or decoys//var/tmp/from_scwrl_1559361954_a.pdb.gz for input Trying /var/tmp/from_scwrl_1559361954_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1559361954_a.pdb or /var/tmp/from_scwrl_1559361954_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1559361954.pdb or /var/tmp/from_scwrl_1559361954_b.pdb or /var/tmp/from_scwrl_1559361954_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 88 ; scwrl3 -i /var/tmp/to_scwrl_758308094.pdb -s /var/tmp/to_scwrl_758308094.seq -o /var/tmp/from_scwrl_758308094.pdb > /var/tmp/scwrl_758308094.log sh: /var/tmp/scwrl_758308094.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_758308094.pdb or /var/tmp/from_scwrl_758308094.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_758308094_b.pdb or decoys//var/tmp/from_scwrl_758308094_b.pdb.gz for input Trying /var/tmp/from_scwrl_758308094_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_758308094_b.pdb or /var/tmp/from_scwrl_758308094_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_758308094_a.pdb or decoys//var/tmp/from_scwrl_758308094_a.pdb.gz for input Trying /var/tmp/from_scwrl_758308094_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_758308094_a.pdb or /var/tmp/from_scwrl_758308094_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_758308094.pdb or /var/tmp/from_scwrl_758308094_b.pdb or /var/tmp/from_scwrl_758308094_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 72 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1434640313.pdb -s /var/tmp/to_scwrl_1434640313.seq -o /var/tmp/from_scwrl_1434640313.pdb > /var/tmp/scwrl_1434640313.log sh: /var/tmp/scwrl_1434640313.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1434640313.pdb or /var/tmp/from_scwrl_1434640313.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1434640313_b.pdb or decoys//var/tmp/from_scwrl_1434640313_b.pdb.gz for input Trying /var/tmp/from_scwrl_1434640313_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1434640313_b.pdb or /var/tmp/from_scwrl_1434640313_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1434640313_a.pdb or decoys//var/tmp/from_scwrl_1434640313_a.pdb.gz for input Trying /var/tmp/from_scwrl_1434640313_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1434640313_a.pdb or /var/tmp/from_scwrl_1434640313_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1434640313.pdb or /var/tmp/from_scwrl_1434640313_b.pdb or /var/tmp/from_scwrl_1434640313_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 # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_499848114.pdb -s /var/tmp/to_scwrl_499848114.seq -o /var/tmp/from_scwrl_499848114.pdb > /var/tmp/scwrl_499848114.log sh: /var/tmp/scwrl_499848114.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_499848114.pdb or /var/tmp/from_scwrl_499848114.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_499848114_b.pdb or decoys//var/tmp/from_scwrl_499848114_b.pdb.gz for input Trying /var/tmp/from_scwrl_499848114_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_499848114_b.pdb or /var/tmp/from_scwrl_499848114_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_499848114_a.pdb or decoys//var/tmp/from_scwrl_499848114_a.pdb.gz for input Trying /var/tmp/from_scwrl_499848114_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_499848114_a.pdb or /var/tmp/from_scwrl_499848114_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_499848114.pdb or /var/tmp/from_scwrl_499848114_b.pdb or /var/tmp/from_scwrl_499848114_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 # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1946240586.pdb -s /var/tmp/to_scwrl_1946240586.seq -o /var/tmp/from_scwrl_1946240586.pdb > /var/tmp/scwrl_1946240586.log sh: /var/tmp/scwrl_1946240586.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1946240586.pdb or /var/tmp/from_scwrl_1946240586.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1946240586_b.pdb or decoys//var/tmp/from_scwrl_1946240586_b.pdb.gz for input Trying /var/tmp/from_scwrl_1946240586_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1946240586_b.pdb or /var/tmp/from_scwrl_1946240586_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1946240586_a.pdb or decoys//var/tmp/from_scwrl_1946240586_a.pdb.gz for input Trying /var/tmp/from_scwrl_1946240586_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1946240586_a.pdb or /var/tmp/from_scwrl_1946240586_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1946240586.pdb or /var/tmp/from_scwrl_1946240586_b.pdb or /var/tmp/from_scwrl_1946240586_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 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1723737546.pdb -s /var/tmp/to_scwrl_1723737546.seq -o /var/tmp/from_scwrl_1723737546.pdb > /var/tmp/scwrl_1723737546.log sh: /var/tmp/scwrl_1723737546.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1723737546.pdb or /var/tmp/from_scwrl_1723737546.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1723737546_b.pdb or decoys//var/tmp/from_scwrl_1723737546_b.pdb.gz for input Trying /var/tmp/from_scwrl_1723737546_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1723737546_b.pdb or /var/tmp/from_scwrl_1723737546_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1723737546_a.pdb or decoys//var/tmp/from_scwrl_1723737546_a.pdb.gz for input Trying /var/tmp/from_scwrl_1723737546_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1723737546_a.pdb or /var/tmp/from_scwrl_1723737546_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1723737546.pdb or /var/tmp/from_scwrl_1723737546_b.pdb or /var/tmp/from_scwrl_1723737546_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 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_931870169.pdb -s /var/tmp/to_scwrl_931870169.seq -o /var/tmp/from_scwrl_931870169.pdb > /var/tmp/scwrl_931870169.log sh: /var/tmp/scwrl_931870169.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_931870169.pdb or /var/tmp/from_scwrl_931870169.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_931870169_b.pdb or decoys//var/tmp/from_scwrl_931870169_b.pdb.gz for input Trying /var/tmp/from_scwrl_931870169_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_931870169_b.pdb or /var/tmp/from_scwrl_931870169_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_931870169_a.pdb or decoys//var/tmp/from_scwrl_931870169_a.pdb.gz for input Trying /var/tmp/from_scwrl_931870169_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_931870169_a.pdb or /var/tmp/from_scwrl_931870169_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_931870169.pdb or /var/tmp/from_scwrl_931870169_b.pdb or /var/tmp/from_scwrl_931870169_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 69 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1426024644.pdb -s /var/tmp/to_scwrl_1426024644.seq -o /var/tmp/from_scwrl_1426024644.pdb > /var/tmp/scwrl_1426024644.log sh: /var/tmp/scwrl_1426024644.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1426024644.pdb or /var/tmp/from_scwrl_1426024644.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1426024644_b.pdb or decoys//var/tmp/from_scwrl_1426024644_b.pdb.gz for input Trying /var/tmp/from_scwrl_1426024644_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1426024644_b.pdb or /var/tmp/from_scwrl_1426024644_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1426024644_a.pdb or decoys//var/tmp/from_scwrl_1426024644_a.pdb.gz for input Trying /var/tmp/from_scwrl_1426024644_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1426024644_a.pdb or /var/tmp/from_scwrl_1426024644_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1426024644.pdb or /var/tmp/from_scwrl_1426024644_b.pdb or /var/tmp/from_scwrl_1426024644_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 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_40646846.pdb -s /var/tmp/to_scwrl_40646846.seq -o /var/tmp/from_scwrl_40646846.pdb > /var/tmp/scwrl_40646846.log sh: /var/tmp/scwrl_40646846.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_40646846.pdb or /var/tmp/from_scwrl_40646846.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_40646846_b.pdb or decoys//var/tmp/from_scwrl_40646846_b.pdb.gz for input Trying /var/tmp/from_scwrl_40646846_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_40646846_b.pdb or /var/tmp/from_scwrl_40646846_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_40646846_a.pdb or decoys//var/tmp/from_scwrl_40646846_a.pdb.gz for input Trying /var/tmp/from_scwrl_40646846_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_40646846_a.pdb or /var/tmp/from_scwrl_40646846_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_40646846.pdb or /var/tmp/from_scwrl_40646846_b.pdb or /var/tmp/from_scwrl_40646846_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 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_175969088.pdb -s /var/tmp/to_scwrl_175969088.seq -o /var/tmp/from_scwrl_175969088.pdb > /var/tmp/scwrl_175969088.log sh: /var/tmp/scwrl_175969088.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_175969088.pdb or /var/tmp/from_scwrl_175969088.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175969088_b.pdb or decoys//var/tmp/from_scwrl_175969088_b.pdb.gz for input Trying /var/tmp/from_scwrl_175969088_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_175969088_b.pdb or /var/tmp/from_scwrl_175969088_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175969088_a.pdb or decoys//var/tmp/from_scwrl_175969088_a.pdb.gz for input Trying /var/tmp/from_scwrl_175969088_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_175969088_a.pdb or /var/tmp/from_scwrl_175969088_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_175969088.pdb or /var/tmp/from_scwrl_175969088_b.pdb or /var/tmp/from_scwrl_175969088_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 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1744243234.pdb -s /var/tmp/to_scwrl_1744243234.seq -o /var/tmp/from_scwrl_1744243234.pdb > /var/tmp/scwrl_1744243234.log sh: /var/tmp/scwrl_1744243234.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1744243234.pdb or /var/tmp/from_scwrl_1744243234.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1744243234_b.pdb or decoys//var/tmp/from_scwrl_1744243234_b.pdb.gz for input Trying /var/tmp/from_scwrl_1744243234_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1744243234_b.pdb or /var/tmp/from_scwrl_1744243234_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1744243234_a.pdb or decoys//var/tmp/from_scwrl_1744243234_a.pdb.gz for input Trying /var/tmp/from_scwrl_1744243234_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1744243234_a.pdb or /var/tmp/from_scwrl_1744243234_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1744243234.pdb or /var/tmp/from_scwrl_1744243234_b.pdb or /var/tmp/from_scwrl_1744243234_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 # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1527070116.pdb -s /var/tmp/to_scwrl_1527070116.seq -o /var/tmp/from_scwrl_1527070116.pdb > /var/tmp/scwrl_1527070116.log sh: /var/tmp/scwrl_1527070116.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1527070116.pdb or /var/tmp/from_scwrl_1527070116.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1527070116_b.pdb or decoys//var/tmp/from_scwrl_1527070116_b.pdb.gz for input Trying /var/tmp/from_scwrl_1527070116_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1527070116_b.pdb or /var/tmp/from_scwrl_1527070116_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1527070116_a.pdb or decoys//var/tmp/from_scwrl_1527070116_a.pdb.gz for input Trying /var/tmp/from_scwrl_1527070116_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1527070116_a.pdb or /var/tmp/from_scwrl_1527070116_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1527070116.pdb or /var/tmp/from_scwrl_1527070116_b.pdb or /var/tmp/from_scwrl_1527070116_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 # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_379603214.pdb -s /var/tmp/to_scwrl_379603214.seq -o /var/tmp/from_scwrl_379603214.pdb > /var/tmp/scwrl_379603214.log sh: /var/tmp/scwrl_379603214.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_379603214.pdb or /var/tmp/from_scwrl_379603214.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_379603214_b.pdb or decoys//var/tmp/from_scwrl_379603214_b.pdb.gz for input Trying /var/tmp/from_scwrl_379603214_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_379603214_b.pdb or /var/tmp/from_scwrl_379603214_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_379603214_a.pdb or decoys//var/tmp/from_scwrl_379603214_a.pdb.gz for input Trying /var/tmp/from_scwrl_379603214_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_379603214_a.pdb or /var/tmp/from_scwrl_379603214_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_379603214.pdb or /var/tmp/from_scwrl_379603214_b.pdb or /var/tmp/from_scwrl_379603214_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 # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_478145026.pdb -s /var/tmp/to_scwrl_478145026.seq -o /var/tmp/from_scwrl_478145026.pdb > /var/tmp/scwrl_478145026.log sh: /var/tmp/scwrl_478145026.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_478145026.pdb or /var/tmp/from_scwrl_478145026.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_478145026_b.pdb or decoys//var/tmp/from_scwrl_478145026_b.pdb.gz for input Trying /var/tmp/from_scwrl_478145026_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_478145026_b.pdb or /var/tmp/from_scwrl_478145026_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_478145026_a.pdb or decoys//var/tmp/from_scwrl_478145026_a.pdb.gz for input Trying /var/tmp/from_scwrl_478145026_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_478145026_a.pdb or /var/tmp/from_scwrl_478145026_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_478145026.pdb or /var/tmp/from_scwrl_478145026_b.pdb or /var/tmp/from_scwrl_478145026_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 # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1091079470.pdb -s /var/tmp/to_scwrl_1091079470.seq -o /var/tmp/from_scwrl_1091079470.pdb > /var/tmp/scwrl_1091079470.log sh: /var/tmp/scwrl_1091079470.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1091079470.pdb or /var/tmp/from_scwrl_1091079470.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1091079470_b.pdb or decoys//var/tmp/from_scwrl_1091079470_b.pdb.gz for input Trying /var/tmp/from_scwrl_1091079470_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1091079470_b.pdb or /var/tmp/from_scwrl_1091079470_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1091079470_a.pdb or decoys//var/tmp/from_scwrl_1091079470_a.pdb.gz for input Trying /var/tmp/from_scwrl_1091079470_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1091079470_a.pdb or /var/tmp/from_scwrl_1091079470_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1091079470.pdb or /var/tmp/from_scwrl_1091079470_b.pdb or /var/tmp/from_scwrl_1091079470_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 # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1685441888.pdb -s /var/tmp/to_scwrl_1685441888.seq -o /var/tmp/from_scwrl_1685441888.pdb > /var/tmp/scwrl_1685441888.log sh: /var/tmp/scwrl_1685441888.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1685441888.pdb or /var/tmp/from_scwrl_1685441888.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1685441888_b.pdb or decoys//var/tmp/from_scwrl_1685441888_b.pdb.gz for input Trying /var/tmp/from_scwrl_1685441888_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1685441888_b.pdb or /var/tmp/from_scwrl_1685441888_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1685441888_a.pdb or decoys//var/tmp/from_scwrl_1685441888_a.pdb.gz for input Trying /var/tmp/from_scwrl_1685441888_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1685441888_a.pdb or /var/tmp/from_scwrl_1685441888_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1685441888.pdb or /var/tmp/from_scwrl_1685441888_b.pdb or /var/tmp/from_scwrl_1685441888_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1699983209.pdb -s /var/tmp/to_scwrl_1699983209.seq -o /var/tmp/from_scwrl_1699983209.pdb > /var/tmp/scwrl_1699983209.log sh: /var/tmp/scwrl_1699983209.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1699983209.pdb or /var/tmp/from_scwrl_1699983209.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1699983209_b.pdb or decoys//var/tmp/from_scwrl_1699983209_b.pdb.gz for input Trying /var/tmp/from_scwrl_1699983209_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1699983209_b.pdb or /var/tmp/from_scwrl_1699983209_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1699983209_a.pdb or decoys//var/tmp/from_scwrl_1699983209_a.pdb.gz for input Trying /var/tmp/from_scwrl_1699983209_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1699983209_a.pdb or /var/tmp/from_scwrl_1699983209_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1699983209.pdb or /var/tmp/from_scwrl_1699983209_b.pdb or /var/tmp/from_scwrl_1699983209_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1357871983.pdb -s /var/tmp/to_scwrl_1357871983.seq -o /var/tmp/from_scwrl_1357871983.pdb > /var/tmp/scwrl_1357871983.log sh: /var/tmp/scwrl_1357871983.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1357871983.pdb or /var/tmp/from_scwrl_1357871983.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1357871983_b.pdb or decoys//var/tmp/from_scwrl_1357871983_b.pdb.gz for input Trying /var/tmp/from_scwrl_1357871983_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1357871983_b.pdb or /var/tmp/from_scwrl_1357871983_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1357871983_a.pdb or decoys//var/tmp/from_scwrl_1357871983_a.pdb.gz for input Trying /var/tmp/from_scwrl_1357871983_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1357871983_a.pdb or /var/tmp/from_scwrl_1357871983_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1357871983.pdb or /var/tmp/from_scwrl_1357871983_b.pdb or /var/tmp/from_scwrl_1357871983_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1483632629.pdb -s /var/tmp/to_scwrl_1483632629.seq -o /var/tmp/from_scwrl_1483632629.pdb > /var/tmp/scwrl_1483632629.log sh: /var/tmp/scwrl_1483632629.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1483632629.pdb or /var/tmp/from_scwrl_1483632629.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1483632629_b.pdb or decoys//var/tmp/from_scwrl_1483632629_b.pdb.gz for input Trying /var/tmp/from_scwrl_1483632629_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1483632629_b.pdb or /var/tmp/from_scwrl_1483632629_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1483632629_a.pdb or decoys//var/tmp/from_scwrl_1483632629_a.pdb.gz for input Trying /var/tmp/from_scwrl_1483632629_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1483632629_a.pdb or /var/tmp/from_scwrl_1483632629_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1483632629.pdb or /var/tmp/from_scwrl_1483632629_b.pdb or /var/tmp/from_scwrl_1483632629_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1508601939.pdb -s /var/tmp/to_scwrl_1508601939.seq -o /var/tmp/from_scwrl_1508601939.pdb > /var/tmp/scwrl_1508601939.log sh: /var/tmp/scwrl_1508601939.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1508601939.pdb or /var/tmp/from_scwrl_1508601939.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1508601939_b.pdb or decoys//var/tmp/from_scwrl_1508601939_b.pdb.gz for input Trying /var/tmp/from_scwrl_1508601939_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1508601939_b.pdb or /var/tmp/from_scwrl_1508601939_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1508601939_a.pdb or decoys//var/tmp/from_scwrl_1508601939_a.pdb.gz for input Trying /var/tmp/from_scwrl_1508601939_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1508601939_a.pdb or /var/tmp/from_scwrl_1508601939_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1508601939.pdb or /var/tmp/from_scwrl_1508601939_b.pdb or /var/tmp/from_scwrl_1508601939_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_298387218.pdb -s /var/tmp/to_scwrl_298387218.seq -o /var/tmp/from_scwrl_298387218.pdb > /var/tmp/scwrl_298387218.log sh: /var/tmp/scwrl_298387218.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_298387218.pdb or /var/tmp/from_scwrl_298387218.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_298387218_b.pdb or decoys//var/tmp/from_scwrl_298387218_b.pdb.gz for input Trying /var/tmp/from_scwrl_298387218_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_298387218_b.pdb or /var/tmp/from_scwrl_298387218_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_298387218_a.pdb or decoys//var/tmp/from_scwrl_298387218_a.pdb.gz for input Trying /var/tmp/from_scwrl_298387218_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_298387218_a.pdb or /var/tmp/from_scwrl_298387218_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_298387218.pdb or /var/tmp/from_scwrl_298387218_b.pdb or /var/tmp/from_scwrl_298387218_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_322211243.pdb -s /var/tmp/to_scwrl_322211243.seq -o /var/tmp/from_scwrl_322211243.pdb > /var/tmp/scwrl_322211243.log sh: /var/tmp/scwrl_322211243.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_322211243.pdb or /var/tmp/from_scwrl_322211243.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_322211243_b.pdb or decoys//var/tmp/from_scwrl_322211243_b.pdb.gz for input Trying /var/tmp/from_scwrl_322211243_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_322211243_b.pdb or /var/tmp/from_scwrl_322211243_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_322211243_a.pdb or decoys//var/tmp/from_scwrl_322211243_a.pdb.gz for input Trying /var/tmp/from_scwrl_322211243_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_322211243_a.pdb or /var/tmp/from_scwrl_322211243_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_322211243.pdb or /var/tmp/from_scwrl_322211243_b.pdb or /var/tmp/from_scwrl_322211243_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1832589891.pdb -s /var/tmp/to_scwrl_1832589891.seq -o /var/tmp/from_scwrl_1832589891.pdb > /var/tmp/scwrl_1832589891.log sh: /var/tmp/scwrl_1832589891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1832589891.pdb or /var/tmp/from_scwrl_1832589891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1832589891_b.pdb or decoys//var/tmp/from_scwrl_1832589891_b.pdb.gz for input Trying /var/tmp/from_scwrl_1832589891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1832589891_b.pdb or /var/tmp/from_scwrl_1832589891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1832589891_a.pdb or decoys//var/tmp/from_scwrl_1832589891_a.pdb.gz for input Trying /var/tmp/from_scwrl_1832589891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1832589891_a.pdb or /var/tmp/from_scwrl_1832589891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1832589891.pdb or /var/tmp/from_scwrl_1832589891_b.pdb or /var/tmp/from_scwrl_1832589891_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 43, because occupancy 1 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1859042222.pdb -s /var/tmp/to_scwrl_1859042222.seq -o /var/tmp/from_scwrl_1859042222.pdb > /var/tmp/scwrl_1859042222.log sh: /var/tmp/scwrl_1859042222.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1859042222.pdb or /var/tmp/from_scwrl_1859042222.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1859042222_b.pdb or decoys//var/tmp/from_scwrl_1859042222_b.pdb.gz for input Trying /var/tmp/from_scwrl_1859042222_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1859042222_b.pdb or /var/tmp/from_scwrl_1859042222_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1859042222_a.pdb or decoys//var/tmp/from_scwrl_1859042222_a.pdb.gz for input Trying /var/tmp/from_scwrl_1859042222_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1859042222_a.pdb or /var/tmp/from_scwrl_1859042222_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1859042222.pdb or /var/tmp/from_scwrl_1859042222_b.pdb or /var/tmp/from_scwrl_1859042222_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_838775592.pdb -s /var/tmp/to_scwrl_838775592.seq -o /var/tmp/from_scwrl_838775592.pdb > /var/tmp/scwrl_838775592.log sh: /var/tmp/scwrl_838775592.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_838775592.pdb or /var/tmp/from_scwrl_838775592.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_838775592_b.pdb or decoys//var/tmp/from_scwrl_838775592_b.pdb.gz for input Trying /var/tmp/from_scwrl_838775592_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_838775592_b.pdb or /var/tmp/from_scwrl_838775592_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_838775592_a.pdb or decoys//var/tmp/from_scwrl_838775592_a.pdb.gz for input Trying /var/tmp/from_scwrl_838775592_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_838775592_a.pdb or /var/tmp/from_scwrl_838775592_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_838775592.pdb or /var/tmp/from_scwrl_838775592_b.pdb or /var/tmp/from_scwrl_838775592_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1972444878.pdb -s /var/tmp/to_scwrl_1972444878.seq -o /var/tmp/from_scwrl_1972444878.pdb > /var/tmp/scwrl_1972444878.log sh: /var/tmp/scwrl_1972444878.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1972444878.pdb or /var/tmp/from_scwrl_1972444878.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1972444878_b.pdb or decoys//var/tmp/from_scwrl_1972444878_b.pdb.gz for input Trying /var/tmp/from_scwrl_1972444878_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1972444878_b.pdb or /var/tmp/from_scwrl_1972444878_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1972444878_a.pdb or decoys//var/tmp/from_scwrl_1972444878_a.pdb.gz for input Trying /var/tmp/from_scwrl_1972444878_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1972444878_a.pdb or /var/tmp/from_scwrl_1972444878_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1972444878.pdb or /var/tmp/from_scwrl_1972444878_b.pdb or /var/tmp/from_scwrl_1972444878_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_683414951.pdb -s /var/tmp/to_scwrl_683414951.seq -o /var/tmp/from_scwrl_683414951.pdb > /var/tmp/scwrl_683414951.log sh: /var/tmp/scwrl_683414951.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_683414951.pdb or /var/tmp/from_scwrl_683414951.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_683414951_b.pdb or decoys//var/tmp/from_scwrl_683414951_b.pdb.gz for input Trying /var/tmp/from_scwrl_683414951_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_683414951_b.pdb or /var/tmp/from_scwrl_683414951_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_683414951_a.pdb or decoys//var/tmp/from_scwrl_683414951_a.pdb.gz for input Trying /var/tmp/from_scwrl_683414951_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_683414951_a.pdb or /var/tmp/from_scwrl_683414951_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_683414951.pdb or /var/tmp/from_scwrl_683414951_b.pdb or /var/tmp/from_scwrl_683414951_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2012890996.pdb -s /var/tmp/to_scwrl_2012890996.seq -o /var/tmp/from_scwrl_2012890996.pdb > /var/tmp/scwrl_2012890996.log sh: /var/tmp/scwrl_2012890996.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2012890996.pdb or /var/tmp/from_scwrl_2012890996.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012890996_b.pdb or decoys//var/tmp/from_scwrl_2012890996_b.pdb.gz for input Trying /var/tmp/from_scwrl_2012890996_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012890996_b.pdb or /var/tmp/from_scwrl_2012890996_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012890996_a.pdb or decoys//var/tmp/from_scwrl_2012890996_a.pdb.gz for input Trying /var/tmp/from_scwrl_2012890996_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012890996_a.pdb or /var/tmp/from_scwrl_2012890996_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2012890996.pdb or /var/tmp/from_scwrl_2012890996_b.pdb or /var/tmp/from_scwrl_2012890996_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1381005500.pdb -s /var/tmp/to_scwrl_1381005500.seq -o /var/tmp/from_scwrl_1381005500.pdb > /var/tmp/scwrl_1381005500.log sh: /var/tmp/scwrl_1381005500.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1381005500.pdb or /var/tmp/from_scwrl_1381005500.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1381005500_b.pdb or decoys//var/tmp/from_scwrl_1381005500_b.pdb.gz for input Trying /var/tmp/from_scwrl_1381005500_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1381005500_b.pdb or /var/tmp/from_scwrl_1381005500_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1381005500_a.pdb or decoys//var/tmp/from_scwrl_1381005500_a.pdb.gz for input Trying /var/tmp/from_scwrl_1381005500_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1381005500_a.pdb or /var/tmp/from_scwrl_1381005500_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1381005500.pdb or /var/tmp/from_scwrl_1381005500_b.pdb or /var/tmp/from_scwrl_1381005500_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_995631382.pdb -s /var/tmp/to_scwrl_995631382.seq -o /var/tmp/from_scwrl_995631382.pdb > /var/tmp/scwrl_995631382.log sh: /var/tmp/scwrl_995631382.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_995631382.pdb or /var/tmp/from_scwrl_995631382.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_995631382_b.pdb or decoys//var/tmp/from_scwrl_995631382_b.pdb.gz for input Trying /var/tmp/from_scwrl_995631382_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_995631382_b.pdb or /var/tmp/from_scwrl_995631382_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_995631382_a.pdb or decoys//var/tmp/from_scwrl_995631382_a.pdb.gz for input Trying /var/tmp/from_scwrl_995631382_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_995631382_a.pdb or /var/tmp/from_scwrl_995631382_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_995631382.pdb or /var/tmp/from_scwrl_995631382_b.pdb or /var/tmp/from_scwrl_995631382_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 T0311 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2046012035.pdb -s /var/tmp/to_scwrl_2046012035.seq -o /var/tmp/from_scwrl_2046012035.pdb > /var/tmp/scwrl_2046012035.log sh: /var/tmp/scwrl_2046012035.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2046012035.pdb or /var/tmp/from_scwrl_2046012035.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2046012035_b.pdb or decoys//var/tmp/from_scwrl_2046012035_b.pdb.gz for input Trying /var/tmp/from_scwrl_2046012035_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2046012035_b.pdb or /var/tmp/from_scwrl_2046012035_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2046012035_a.pdb or decoys//var/tmp/from_scwrl_2046012035_a.pdb.gz for input Trying /var/tmp/from_scwrl_2046012035_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2046012035_a.pdb or /var/tmp/from_scwrl_2046012035_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2046012035.pdb or /var/tmp/from_scwrl_2046012035_b.pdb or /var/tmp/from_scwrl_2046012035_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 60 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_792883808.pdb -s /var/tmp/to_scwrl_792883808.seq -o /var/tmp/from_scwrl_792883808.pdb > /var/tmp/scwrl_792883808.log sh: /var/tmp/scwrl_792883808.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_792883808.pdb or /var/tmp/from_scwrl_792883808.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792883808_b.pdb or decoys//var/tmp/from_scwrl_792883808_b.pdb.gz for input Trying /var/tmp/from_scwrl_792883808_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_792883808_b.pdb or /var/tmp/from_scwrl_792883808_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792883808_a.pdb or decoys//var/tmp/from_scwrl_792883808_a.pdb.gz for input Trying /var/tmp/from_scwrl_792883808_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_792883808_a.pdb or /var/tmp/from_scwrl_792883808_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_792883808.pdb or /var/tmp/from_scwrl_792883808_b.pdb or /var/tmp/from_scwrl_792883808_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 88 ; scwrl3 -i /var/tmp/to_scwrl_1753939475.pdb -s /var/tmp/to_scwrl_1753939475.seq -o /var/tmp/from_scwrl_1753939475.pdb > /var/tmp/scwrl_1753939475.log sh: /var/tmp/scwrl_1753939475.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1753939475.pdb or /var/tmp/from_scwrl_1753939475.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1753939475_b.pdb or decoys//var/tmp/from_scwrl_1753939475_b.pdb.gz for input Trying /var/tmp/from_scwrl_1753939475_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1753939475_b.pdb or /var/tmp/from_scwrl_1753939475_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1753939475_a.pdb or decoys//var/tmp/from_scwrl_1753939475_a.pdb.gz for input Trying /var/tmp/from_scwrl_1753939475_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1753939475_a.pdb or /var/tmp/from_scwrl_1753939475_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1753939475.pdb or /var/tmp/from_scwrl_1753939475_b.pdb or /var/tmp/from_scwrl_1753939475_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 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1333168701.pdb -s /var/tmp/to_scwrl_1333168701.seq -o /var/tmp/from_scwrl_1333168701.pdb > /var/tmp/scwrl_1333168701.log sh: /var/tmp/scwrl_1333168701.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1333168701.pdb or /var/tmp/from_scwrl_1333168701.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1333168701_b.pdb or decoys//var/tmp/from_scwrl_1333168701_b.pdb.gz for input Trying /var/tmp/from_scwrl_1333168701_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1333168701_b.pdb or /var/tmp/from_scwrl_1333168701_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1333168701_a.pdb or decoys//var/tmp/from_scwrl_1333168701_a.pdb.gz for input Trying /var/tmp/from_scwrl_1333168701_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1333168701_a.pdb or /var/tmp/from_scwrl_1333168701_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1333168701.pdb or /var/tmp/from_scwrl_1333168701_b.pdb or /var/tmp/from_scwrl_1333168701_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 # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1292731921.pdb -s /var/tmp/to_scwrl_1292731921.seq -o /var/tmp/from_scwrl_1292731921.pdb > /var/tmp/scwrl_1292731921.log sh: /var/tmp/scwrl_1292731921.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1292731921.pdb or /var/tmp/from_scwrl_1292731921.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1292731921_b.pdb or decoys//var/tmp/from_scwrl_1292731921_b.pdb.gz for input Trying /var/tmp/from_scwrl_1292731921_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1292731921_b.pdb or /var/tmp/from_scwrl_1292731921_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1292731921_a.pdb or decoys//var/tmp/from_scwrl_1292731921_a.pdb.gz for input Trying /var/tmp/from_scwrl_1292731921_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1292731921_a.pdb or /var/tmp/from_scwrl_1292731921_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1292731921.pdb or /var/tmp/from_scwrl_1292731921_b.pdb or /var/tmp/from_scwrl_1292731921_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 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1552696414.pdb -s /var/tmp/to_scwrl_1552696414.seq -o /var/tmp/from_scwrl_1552696414.pdb > /var/tmp/scwrl_1552696414.log sh: /var/tmp/scwrl_1552696414.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1552696414.pdb or /var/tmp/from_scwrl_1552696414.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1552696414_b.pdb or decoys//var/tmp/from_scwrl_1552696414_b.pdb.gz for input Trying /var/tmp/from_scwrl_1552696414_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1552696414_b.pdb or /var/tmp/from_scwrl_1552696414_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1552696414_a.pdb or decoys//var/tmp/from_scwrl_1552696414_a.pdb.gz for input Trying /var/tmp/from_scwrl_1552696414_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1552696414_a.pdb or /var/tmp/from_scwrl_1552696414_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1552696414.pdb or /var/tmp/from_scwrl_1552696414_b.pdb or /var/tmp/from_scwrl_1552696414_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 88 ; scwrl3 -i /var/tmp/to_scwrl_909422601.pdb -s /var/tmp/to_scwrl_909422601.seq -o /var/tmp/from_scwrl_909422601.pdb > /var/tmp/scwrl_909422601.log sh: /var/tmp/scwrl_909422601.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_909422601.pdb or /var/tmp/from_scwrl_909422601.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_909422601_b.pdb or decoys//var/tmp/from_scwrl_909422601_b.pdb.gz for input Trying /var/tmp/from_scwrl_909422601_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_909422601_b.pdb or /var/tmp/from_scwrl_909422601_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_909422601_a.pdb or decoys//var/tmp/from_scwrl_909422601_a.pdb.gz for input Trying /var/tmp/from_scwrl_909422601_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_909422601_a.pdb or /var/tmp/from_scwrl_909422601_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_909422601.pdb or /var/tmp/from_scwrl_909422601_b.pdb or /var/tmp/from_scwrl_909422601_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 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_77118444.pdb -s /var/tmp/to_scwrl_77118444.seq -o /var/tmp/from_scwrl_77118444.pdb > /var/tmp/scwrl_77118444.log sh: /var/tmp/scwrl_77118444.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_77118444.pdb or /var/tmp/from_scwrl_77118444.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_77118444_b.pdb or decoys//var/tmp/from_scwrl_77118444_b.pdb.gz for input Trying /var/tmp/from_scwrl_77118444_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_77118444_b.pdb or /var/tmp/from_scwrl_77118444_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_77118444_a.pdb or decoys//var/tmp/from_scwrl_77118444_a.pdb.gz for input Trying /var/tmp/from_scwrl_77118444_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_77118444_a.pdb or /var/tmp/from_scwrl_77118444_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_77118444.pdb or /var/tmp/from_scwrl_77118444_b.pdb or /var/tmp/from_scwrl_77118444_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 88 ; scwrl3 -i /var/tmp/to_scwrl_831237412.pdb -s /var/tmp/to_scwrl_831237412.seq -o /var/tmp/from_scwrl_831237412.pdb > /var/tmp/scwrl_831237412.log sh: /var/tmp/scwrl_831237412.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_831237412.pdb or /var/tmp/from_scwrl_831237412.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_831237412_b.pdb or decoys//var/tmp/from_scwrl_831237412_b.pdb.gz for input Trying /var/tmp/from_scwrl_831237412_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_831237412_b.pdb or /var/tmp/from_scwrl_831237412_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_831237412_a.pdb or decoys//var/tmp/from_scwrl_831237412_a.pdb.gz for input Trying /var/tmp/from_scwrl_831237412_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_831237412_a.pdb or /var/tmp/from_scwrl_831237412_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_831237412.pdb or /var/tmp/from_scwrl_831237412_b.pdb or /var/tmp/from_scwrl_831237412_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 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_950069448.pdb -s /var/tmp/to_scwrl_950069448.seq -o /var/tmp/from_scwrl_950069448.pdb > /var/tmp/scwrl_950069448.log sh: /var/tmp/scwrl_950069448.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_950069448.pdb or /var/tmp/from_scwrl_950069448.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_950069448_b.pdb or decoys//var/tmp/from_scwrl_950069448_b.pdb.gz for input Trying /var/tmp/from_scwrl_950069448_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_950069448_b.pdb or /var/tmp/from_scwrl_950069448_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_950069448_a.pdb or decoys//var/tmp/from_scwrl_950069448_a.pdb.gz for input Trying /var/tmp/from_scwrl_950069448_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_950069448_a.pdb or /var/tmp/from_scwrl_950069448_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_950069448.pdb or /var/tmp/from_scwrl_950069448_b.pdb or /var/tmp/from_scwrl_950069448_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 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_253087532.pdb -s /var/tmp/to_scwrl_253087532.seq -o /var/tmp/from_scwrl_253087532.pdb > /var/tmp/scwrl_253087532.log sh: /var/tmp/scwrl_253087532.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_253087532.pdb or /var/tmp/from_scwrl_253087532.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_253087532_b.pdb or decoys//var/tmp/from_scwrl_253087532_b.pdb.gz for input Trying /var/tmp/from_scwrl_253087532_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_253087532_b.pdb or /var/tmp/from_scwrl_253087532_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_253087532_a.pdb or decoys//var/tmp/from_scwrl_253087532_a.pdb.gz for input Trying /var/tmp/from_scwrl_253087532_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_253087532_a.pdb or /var/tmp/from_scwrl_253087532_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_253087532.pdb or /var/tmp/from_scwrl_253087532_b.pdb or /var/tmp/from_scwrl_253087532_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 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_427996999.pdb -s /var/tmp/to_scwrl_427996999.seq -o /var/tmp/from_scwrl_427996999.pdb > /var/tmp/scwrl_427996999.log sh: /var/tmp/scwrl_427996999.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_427996999.pdb or /var/tmp/from_scwrl_427996999.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_427996999_b.pdb or decoys//var/tmp/from_scwrl_427996999_b.pdb.gz for input Trying /var/tmp/from_scwrl_427996999_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_427996999_b.pdb or /var/tmp/from_scwrl_427996999_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_427996999_a.pdb or decoys//var/tmp/from_scwrl_427996999_a.pdb.gz for input Trying /var/tmp/from_scwrl_427996999_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_427996999_a.pdb or /var/tmp/from_scwrl_427996999_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_427996999.pdb or /var/tmp/from_scwrl_427996999_b.pdb or /var/tmp/from_scwrl_427996999_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 # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_329655917.pdb -s /var/tmp/to_scwrl_329655917.seq -o /var/tmp/from_scwrl_329655917.pdb > /var/tmp/scwrl_329655917.log sh: /var/tmp/scwrl_329655917.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_329655917.pdb or /var/tmp/from_scwrl_329655917.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_329655917_b.pdb or decoys//var/tmp/from_scwrl_329655917_b.pdb.gz for input Trying /var/tmp/from_scwrl_329655917_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_329655917_b.pdb or /var/tmp/from_scwrl_329655917_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_329655917_a.pdb or decoys//var/tmp/from_scwrl_329655917_a.pdb.gz for input Trying /var/tmp/from_scwrl_329655917_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_329655917_a.pdb or /var/tmp/from_scwrl_329655917_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_329655917.pdb or /var/tmp/from_scwrl_329655917_b.pdb or /var/tmp/from_scwrl_329655917_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 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_632690746.pdb -s /var/tmp/to_scwrl_632690746.seq -o /var/tmp/from_scwrl_632690746.pdb > /var/tmp/scwrl_632690746.log sh: /var/tmp/scwrl_632690746.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_632690746.pdb or /var/tmp/from_scwrl_632690746.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_632690746_b.pdb or decoys//var/tmp/from_scwrl_632690746_b.pdb.gz for input Trying /var/tmp/from_scwrl_632690746_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_632690746_b.pdb or /var/tmp/from_scwrl_632690746_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_632690746_a.pdb or decoys//var/tmp/from_scwrl_632690746_a.pdb.gz for input Trying /var/tmp/from_scwrl_632690746_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_632690746_a.pdb or /var/tmp/from_scwrl_632690746_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_632690746.pdb or /var/tmp/from_scwrl_632690746_b.pdb or /var/tmp/from_scwrl_632690746_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 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_906142025.pdb -s /var/tmp/to_scwrl_906142025.seq -o /var/tmp/from_scwrl_906142025.pdb > /var/tmp/scwrl_906142025.log sh: /var/tmp/scwrl_906142025.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_906142025.pdb or /var/tmp/from_scwrl_906142025.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_906142025_b.pdb or decoys//var/tmp/from_scwrl_906142025_b.pdb.gz for input Trying /var/tmp/from_scwrl_906142025_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_906142025_b.pdb or /var/tmp/from_scwrl_906142025_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_906142025_a.pdb or decoys//var/tmp/from_scwrl_906142025_a.pdb.gz for input Trying /var/tmp/from_scwrl_906142025_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_906142025_a.pdb or /var/tmp/from_scwrl_906142025_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_906142025.pdb or /var/tmp/from_scwrl_906142025_b.pdb or /var/tmp/from_scwrl_906142025_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 # Found a chain break before 7 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1420735387.pdb -s /var/tmp/to_scwrl_1420735387.seq -o /var/tmp/from_scwrl_1420735387.pdb > /var/tmp/scwrl_1420735387.log sh: /var/tmp/scwrl_1420735387.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1420735387.pdb or /var/tmp/from_scwrl_1420735387.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1420735387_b.pdb or decoys//var/tmp/from_scwrl_1420735387_b.pdb.gz for input Trying /var/tmp/from_scwrl_1420735387_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1420735387_b.pdb or /var/tmp/from_scwrl_1420735387_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1420735387_a.pdb or decoys//var/tmp/from_scwrl_1420735387_a.pdb.gz for input Trying /var/tmp/from_scwrl_1420735387_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1420735387_a.pdb or /var/tmp/from_scwrl_1420735387_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1420735387.pdb or /var/tmp/from_scwrl_1420735387_b.pdb or /var/tmp/from_scwrl_1420735387_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 T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_170648988.pdb -s /var/tmp/to_scwrl_170648988.seq -o /var/tmp/from_scwrl_170648988.pdb > /var/tmp/scwrl_170648988.log sh: /var/tmp/scwrl_170648988.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_170648988.pdb or /var/tmp/from_scwrl_170648988.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_170648988_b.pdb or decoys//var/tmp/from_scwrl_170648988_b.pdb.gz for input Trying /var/tmp/from_scwrl_170648988_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_170648988_b.pdb or /var/tmp/from_scwrl_170648988_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_170648988_a.pdb or decoys//var/tmp/from_scwrl_170648988_a.pdb.gz for input Trying /var/tmp/from_scwrl_170648988_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_170648988_a.pdb or /var/tmp/from_scwrl_170648988_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_170648988.pdb or /var/tmp/from_scwrl_170648988_b.pdb or /var/tmp/from_scwrl_170648988_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_458641588.pdb -s /var/tmp/to_scwrl_458641588.seq -o /var/tmp/from_scwrl_458641588.pdb > /var/tmp/scwrl_458641588.log sh: /var/tmp/scwrl_458641588.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_458641588.pdb or /var/tmp/from_scwrl_458641588.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_458641588_b.pdb or decoys//var/tmp/from_scwrl_458641588_b.pdb.gz for input Trying /var/tmp/from_scwrl_458641588_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_458641588_b.pdb or /var/tmp/from_scwrl_458641588_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_458641588_a.pdb or decoys//var/tmp/from_scwrl_458641588_a.pdb.gz for input Trying /var/tmp/from_scwrl_458641588_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_458641588_a.pdb or /var/tmp/from_scwrl_458641588_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_458641588.pdb or /var/tmp/from_scwrl_458641588_b.pdb or /var/tmp/from_scwrl_458641588_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_631123724.pdb -s /var/tmp/to_scwrl_631123724.seq -o /var/tmp/from_scwrl_631123724.pdb > /var/tmp/scwrl_631123724.log sh: /var/tmp/scwrl_631123724.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_631123724.pdb or /var/tmp/from_scwrl_631123724.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_631123724_b.pdb or decoys//var/tmp/from_scwrl_631123724_b.pdb.gz for input Trying /var/tmp/from_scwrl_631123724_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_631123724_b.pdb or /var/tmp/from_scwrl_631123724_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_631123724_a.pdb or decoys//var/tmp/from_scwrl_631123724_a.pdb.gz for input Trying /var/tmp/from_scwrl_631123724_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_631123724_a.pdb or /var/tmp/from_scwrl_631123724_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_631123724.pdb or /var/tmp/from_scwrl_631123724_b.pdb or /var/tmp/from_scwrl_631123724_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1654281617.pdb -s /var/tmp/to_scwrl_1654281617.seq -o /var/tmp/from_scwrl_1654281617.pdb > /var/tmp/scwrl_1654281617.log sh: /var/tmp/scwrl_1654281617.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1654281617.pdb or /var/tmp/from_scwrl_1654281617.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1654281617_b.pdb or decoys//var/tmp/from_scwrl_1654281617_b.pdb.gz for input Trying /var/tmp/from_scwrl_1654281617_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1654281617_b.pdb or /var/tmp/from_scwrl_1654281617_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1654281617_a.pdb or decoys//var/tmp/from_scwrl_1654281617_a.pdb.gz for input Trying /var/tmp/from_scwrl_1654281617_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1654281617_a.pdb or /var/tmp/from_scwrl_1654281617_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1654281617.pdb or /var/tmp/from_scwrl_1654281617_b.pdb or /var/tmp/from_scwrl_1654281617_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1967243527.pdb -s /var/tmp/to_scwrl_1967243527.seq -o /var/tmp/from_scwrl_1967243527.pdb > /var/tmp/scwrl_1967243527.log sh: /var/tmp/scwrl_1967243527.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1967243527.pdb or /var/tmp/from_scwrl_1967243527.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1967243527_b.pdb or decoys//var/tmp/from_scwrl_1967243527_b.pdb.gz for input Trying /var/tmp/from_scwrl_1967243527_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1967243527_b.pdb or /var/tmp/from_scwrl_1967243527_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1967243527_a.pdb or decoys//var/tmp/from_scwrl_1967243527_a.pdb.gz for input Trying /var/tmp/from_scwrl_1967243527_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1967243527_a.pdb or /var/tmp/from_scwrl_1967243527_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1967243527.pdb or /var/tmp/from_scwrl_1967243527_b.pdb or /var/tmp/from_scwrl_1967243527_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_929510942.pdb -s /var/tmp/to_scwrl_929510942.seq -o /var/tmp/from_scwrl_929510942.pdb > /var/tmp/scwrl_929510942.log sh: /var/tmp/scwrl_929510942.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_929510942.pdb or /var/tmp/from_scwrl_929510942.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_929510942_b.pdb or decoys//var/tmp/from_scwrl_929510942_b.pdb.gz for input Trying /var/tmp/from_scwrl_929510942_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_929510942_b.pdb or /var/tmp/from_scwrl_929510942_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_929510942_a.pdb or decoys//var/tmp/from_scwrl_929510942_a.pdb.gz for input Trying /var/tmp/from_scwrl_929510942_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_929510942_a.pdb or /var/tmp/from_scwrl_929510942_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_929510942.pdb or /var/tmp/from_scwrl_929510942_b.pdb or /var/tmp/from_scwrl_929510942_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1976492860.pdb -s /var/tmp/to_scwrl_1976492860.seq -o /var/tmp/from_scwrl_1976492860.pdb > /var/tmp/scwrl_1976492860.log sh: /var/tmp/scwrl_1976492860.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1976492860.pdb or /var/tmp/from_scwrl_1976492860.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1976492860_b.pdb or decoys//var/tmp/from_scwrl_1976492860_b.pdb.gz for input Trying /var/tmp/from_scwrl_1976492860_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1976492860_b.pdb or /var/tmp/from_scwrl_1976492860_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1976492860_a.pdb or decoys//var/tmp/from_scwrl_1976492860_a.pdb.gz for input Trying /var/tmp/from_scwrl_1976492860_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1976492860_a.pdb or /var/tmp/from_scwrl_1976492860_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1976492860.pdb or /var/tmp/from_scwrl_1976492860_b.pdb or /var/tmp/from_scwrl_1976492860_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1652349771.pdb -s /var/tmp/to_scwrl_1652349771.seq -o /var/tmp/from_scwrl_1652349771.pdb > /var/tmp/scwrl_1652349771.log sh: /var/tmp/scwrl_1652349771.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1652349771.pdb or /var/tmp/from_scwrl_1652349771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1652349771_b.pdb or decoys//var/tmp/from_scwrl_1652349771_b.pdb.gz for input Trying /var/tmp/from_scwrl_1652349771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1652349771_b.pdb or /var/tmp/from_scwrl_1652349771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1652349771_a.pdb or decoys//var/tmp/from_scwrl_1652349771_a.pdb.gz for input Trying /var/tmp/from_scwrl_1652349771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1652349771_a.pdb or /var/tmp/from_scwrl_1652349771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1652349771.pdb or /var/tmp/from_scwrl_1652349771_b.pdb or /var/tmp/from_scwrl_1652349771_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_641069517.pdb -s /var/tmp/to_scwrl_641069517.seq -o /var/tmp/from_scwrl_641069517.pdb > /var/tmp/scwrl_641069517.log sh: /var/tmp/scwrl_641069517.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_641069517.pdb or /var/tmp/from_scwrl_641069517.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_641069517_b.pdb or decoys//var/tmp/from_scwrl_641069517_b.pdb.gz for input Trying /var/tmp/from_scwrl_641069517_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_641069517_b.pdb or /var/tmp/from_scwrl_641069517_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_641069517_a.pdb or decoys//var/tmp/from_scwrl_641069517_a.pdb.gz for input Trying /var/tmp/from_scwrl_641069517_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_641069517_a.pdb or /var/tmp/from_scwrl_641069517_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_641069517.pdb or /var/tmp/from_scwrl_641069517_b.pdb or /var/tmp/from_scwrl_641069517_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_667784805.pdb -s /var/tmp/to_scwrl_667784805.seq -o /var/tmp/from_scwrl_667784805.pdb > /var/tmp/scwrl_667784805.log sh: /var/tmp/scwrl_667784805.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_667784805.pdb or /var/tmp/from_scwrl_667784805.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_667784805_b.pdb or decoys//var/tmp/from_scwrl_667784805_b.pdb.gz for input Trying /var/tmp/from_scwrl_667784805_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_667784805_b.pdb or /var/tmp/from_scwrl_667784805_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_667784805_a.pdb or decoys//var/tmp/from_scwrl_667784805_a.pdb.gz for input Trying /var/tmp/from_scwrl_667784805_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_667784805_a.pdb or /var/tmp/from_scwrl_667784805_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_667784805.pdb or /var/tmp/from_scwrl_667784805_b.pdb or /var/tmp/from_scwrl_667784805_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 T0311 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1477311002.pdb -s /var/tmp/to_scwrl_1477311002.seq -o /var/tmp/from_scwrl_1477311002.pdb > /var/tmp/scwrl_1477311002.log sh: /var/tmp/scwrl_1477311002.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1477311002.pdb or /var/tmp/from_scwrl_1477311002.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1477311002_b.pdb or decoys//var/tmp/from_scwrl_1477311002_b.pdb.gz for input Trying /var/tmp/from_scwrl_1477311002_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1477311002_b.pdb or /var/tmp/from_scwrl_1477311002_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1477311002_a.pdb or decoys//var/tmp/from_scwrl_1477311002_a.pdb.gz for input Trying /var/tmp/from_scwrl_1477311002_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1477311002_a.pdb or /var/tmp/from_scwrl_1477311002_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1477311002.pdb or /var/tmp/from_scwrl_1477311002_b.pdb or /var/tmp/from_scwrl_1477311002_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 86 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1324484467.pdb -s /var/tmp/to_scwrl_1324484467.seq -o /var/tmp/from_scwrl_1324484467.pdb > /var/tmp/scwrl_1324484467.log sh: /var/tmp/scwrl_1324484467.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1324484467.pdb or /var/tmp/from_scwrl_1324484467.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1324484467_b.pdb or decoys//var/tmp/from_scwrl_1324484467_b.pdb.gz for input Trying /var/tmp/from_scwrl_1324484467_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1324484467_b.pdb or /var/tmp/from_scwrl_1324484467_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1324484467_a.pdb or decoys//var/tmp/from_scwrl_1324484467_a.pdb.gz for input Trying /var/tmp/from_scwrl_1324484467_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1324484467_a.pdb or /var/tmp/from_scwrl_1324484467_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1324484467.pdb or /var/tmp/from_scwrl_1324484467_b.pdb or /var/tmp/from_scwrl_1324484467_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 92 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_533192154.pdb -s /var/tmp/to_scwrl_533192154.seq -o /var/tmp/from_scwrl_533192154.pdb > /var/tmp/scwrl_533192154.log sh: /var/tmp/scwrl_533192154.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_533192154.pdb or /var/tmp/from_scwrl_533192154.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_533192154_b.pdb or decoys//var/tmp/from_scwrl_533192154_b.pdb.gz for input Trying /var/tmp/from_scwrl_533192154_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_533192154_b.pdb or /var/tmp/from_scwrl_533192154_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_533192154_a.pdb or decoys//var/tmp/from_scwrl_533192154_a.pdb.gz for input Trying /var/tmp/from_scwrl_533192154_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_533192154_a.pdb or /var/tmp/from_scwrl_533192154_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_533192154.pdb or /var/tmp/from_scwrl_533192154_b.pdb or /var/tmp/from_scwrl_533192154_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 88 ; scwrl3 -i /var/tmp/to_scwrl_710832856.pdb -s /var/tmp/to_scwrl_710832856.seq -o /var/tmp/from_scwrl_710832856.pdb > /var/tmp/scwrl_710832856.log sh: /var/tmp/scwrl_710832856.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_710832856.pdb or /var/tmp/from_scwrl_710832856.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_710832856_b.pdb or decoys//var/tmp/from_scwrl_710832856_b.pdb.gz for input Trying /var/tmp/from_scwrl_710832856_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_710832856_b.pdb or /var/tmp/from_scwrl_710832856_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_710832856_a.pdb or decoys//var/tmp/from_scwrl_710832856_a.pdb.gz for input Trying /var/tmp/from_scwrl_710832856_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_710832856_a.pdb or /var/tmp/from_scwrl_710832856_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_710832856.pdb or /var/tmp/from_scwrl_710832856_b.pdb or /var/tmp/from_scwrl_710832856_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 92 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_172632202.pdb -s /var/tmp/to_scwrl_172632202.seq -o /var/tmp/from_scwrl_172632202.pdb > /var/tmp/scwrl_172632202.log sh: /var/tmp/scwrl_172632202.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_172632202.pdb or /var/tmp/from_scwrl_172632202.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_172632202_b.pdb or decoys//var/tmp/from_scwrl_172632202_b.pdb.gz for input Trying /var/tmp/from_scwrl_172632202_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_172632202_b.pdb or /var/tmp/from_scwrl_172632202_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_172632202_a.pdb or decoys//var/tmp/from_scwrl_172632202_a.pdb.gz for input Trying /var/tmp/from_scwrl_172632202_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_172632202_a.pdb or /var/tmp/from_scwrl_172632202_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_172632202.pdb or /var/tmp/from_scwrl_172632202_b.pdb or /var/tmp/from_scwrl_172632202_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 93 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_431720543.pdb -s /var/tmp/to_scwrl_431720543.seq -o /var/tmp/from_scwrl_431720543.pdb > /var/tmp/scwrl_431720543.log sh: /var/tmp/scwrl_431720543.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_431720543.pdb or /var/tmp/from_scwrl_431720543.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431720543_b.pdb or decoys//var/tmp/from_scwrl_431720543_b.pdb.gz for input Trying /var/tmp/from_scwrl_431720543_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_431720543_b.pdb or /var/tmp/from_scwrl_431720543_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431720543_a.pdb or decoys//var/tmp/from_scwrl_431720543_a.pdb.gz for input Trying /var/tmp/from_scwrl_431720543_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_431720543_a.pdb or /var/tmp/from_scwrl_431720543_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_431720543.pdb or /var/tmp/from_scwrl_431720543_b.pdb or /var/tmp/from_scwrl_431720543_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 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1503716663.pdb -s /var/tmp/to_scwrl_1503716663.seq -o /var/tmp/from_scwrl_1503716663.pdb > /var/tmp/scwrl_1503716663.log sh: /var/tmp/scwrl_1503716663.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1503716663.pdb or /var/tmp/from_scwrl_1503716663.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1503716663_b.pdb or decoys//var/tmp/from_scwrl_1503716663_b.pdb.gz for input Trying /var/tmp/from_scwrl_1503716663_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1503716663_b.pdb or /var/tmp/from_scwrl_1503716663_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1503716663_a.pdb or decoys//var/tmp/from_scwrl_1503716663_a.pdb.gz for input Trying /var/tmp/from_scwrl_1503716663_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1503716663_a.pdb or /var/tmp/from_scwrl_1503716663_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1503716663.pdb or /var/tmp/from_scwrl_1503716663_b.pdb or /var/tmp/from_scwrl_1503716663_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 T0311 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1926571677.pdb -s /var/tmp/to_scwrl_1926571677.seq -o /var/tmp/from_scwrl_1926571677.pdb > /var/tmp/scwrl_1926571677.log sh: /var/tmp/scwrl_1926571677.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1926571677.pdb or /var/tmp/from_scwrl_1926571677.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1926571677_b.pdb or decoys//var/tmp/from_scwrl_1926571677_b.pdb.gz for input Trying /var/tmp/from_scwrl_1926571677_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1926571677_b.pdb or /var/tmp/from_scwrl_1926571677_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1926571677_a.pdb or decoys//var/tmp/from_scwrl_1926571677_a.pdb.gz for input Trying /var/tmp/from_scwrl_1926571677_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1926571677_a.pdb or /var/tmp/from_scwrl_1926571677_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1926571677.pdb or /var/tmp/from_scwrl_1926571677_b.pdb or /var/tmp/from_scwrl_1926571677_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 T0311 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1764889244.pdb -s /var/tmp/to_scwrl_1764889244.seq -o /var/tmp/from_scwrl_1764889244.pdb > /var/tmp/scwrl_1764889244.log sh: /var/tmp/scwrl_1764889244.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1764889244.pdb or /var/tmp/from_scwrl_1764889244.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1764889244_b.pdb or decoys//var/tmp/from_scwrl_1764889244_b.pdb.gz for input Trying /var/tmp/from_scwrl_1764889244_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1764889244_b.pdb or /var/tmp/from_scwrl_1764889244_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1764889244_a.pdb or decoys//var/tmp/from_scwrl_1764889244_a.pdb.gz for input Trying /var/tmp/from_scwrl_1764889244_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1764889244_a.pdb or /var/tmp/from_scwrl_1764889244_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1764889244.pdb or /var/tmp/from_scwrl_1764889244_b.pdb or /var/tmp/from_scwrl_1764889244_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 T0311 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_648964939.pdb -s /var/tmp/to_scwrl_648964939.seq -o /var/tmp/from_scwrl_648964939.pdb > /var/tmp/scwrl_648964939.log sh: /var/tmp/scwrl_648964939.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_648964939.pdb or /var/tmp/from_scwrl_648964939.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_648964939_b.pdb or decoys//var/tmp/from_scwrl_648964939_b.pdb.gz for input Trying /var/tmp/from_scwrl_648964939_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_648964939_b.pdb or /var/tmp/from_scwrl_648964939_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_648964939_a.pdb or decoys//var/tmp/from_scwrl_648964939_a.pdb.gz for input Trying /var/tmp/from_scwrl_648964939_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_648964939_a.pdb or /var/tmp/from_scwrl_648964939_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_648964939.pdb or /var/tmp/from_scwrl_648964939_b.pdb or /var/tmp/from_scwrl_648964939_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1331784445.pdb -s /var/tmp/to_scwrl_1331784445.seq -o /var/tmp/from_scwrl_1331784445.pdb > /var/tmp/scwrl_1331784445.log sh: /var/tmp/scwrl_1331784445.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1331784445.pdb or /var/tmp/from_scwrl_1331784445.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331784445_b.pdb or decoys//var/tmp/from_scwrl_1331784445_b.pdb.gz for input Trying /var/tmp/from_scwrl_1331784445_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331784445_b.pdb or /var/tmp/from_scwrl_1331784445_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331784445_a.pdb or decoys//var/tmp/from_scwrl_1331784445_a.pdb.gz for input Trying /var/tmp/from_scwrl_1331784445_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331784445_a.pdb or /var/tmp/from_scwrl_1331784445_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1331784445.pdb or /var/tmp/from_scwrl_1331784445_b.pdb or /var/tmp/from_scwrl_1331784445_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 T0311 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_526828199.pdb -s /var/tmp/to_scwrl_526828199.seq -o /var/tmp/from_scwrl_526828199.pdb > /var/tmp/scwrl_526828199.log sh: /var/tmp/scwrl_526828199.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_526828199.pdb or /var/tmp/from_scwrl_526828199.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_526828199_b.pdb or decoys//var/tmp/from_scwrl_526828199_b.pdb.gz for input Trying /var/tmp/from_scwrl_526828199_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_526828199_b.pdb or /var/tmp/from_scwrl_526828199_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_526828199_a.pdb or decoys//var/tmp/from_scwrl_526828199_a.pdb.gz for input Trying /var/tmp/from_scwrl_526828199_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_526828199_a.pdb or /var/tmp/from_scwrl_526828199_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_526828199.pdb or /var/tmp/from_scwrl_526828199_b.pdb or /var/tmp/from_scwrl_526828199_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 T0311 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_726083383.pdb -s /var/tmp/to_scwrl_726083383.seq -o /var/tmp/from_scwrl_726083383.pdb > /var/tmp/scwrl_726083383.log sh: /var/tmp/scwrl_726083383.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_726083383.pdb or /var/tmp/from_scwrl_726083383.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726083383_b.pdb or decoys//var/tmp/from_scwrl_726083383_b.pdb.gz for input Trying /var/tmp/from_scwrl_726083383_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_726083383_b.pdb or /var/tmp/from_scwrl_726083383_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726083383_a.pdb or decoys//var/tmp/from_scwrl_726083383_a.pdb.gz for input Trying /var/tmp/from_scwrl_726083383_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_726083383_a.pdb or /var/tmp/from_scwrl_726083383_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_726083383.pdb or /var/tmp/from_scwrl_726083383_b.pdb or /var/tmp/from_scwrl_726083383_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_15538210.pdb -s /var/tmp/to_scwrl_15538210.seq -o /var/tmp/from_scwrl_15538210.pdb > /var/tmp/scwrl_15538210.log sh: /var/tmp/scwrl_15538210.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_15538210.pdb or /var/tmp/from_scwrl_15538210.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_15538210_b.pdb or decoys//var/tmp/from_scwrl_15538210_b.pdb.gz for input Trying /var/tmp/from_scwrl_15538210_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_15538210_b.pdb or /var/tmp/from_scwrl_15538210_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_15538210_a.pdb or decoys//var/tmp/from_scwrl_15538210_a.pdb.gz for input Trying /var/tmp/from_scwrl_15538210_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_15538210_a.pdb or /var/tmp/from_scwrl_15538210_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_15538210.pdb or /var/tmp/from_scwrl_15538210_b.pdb or /var/tmp/from_scwrl_15538210_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1476897646.pdb -s /var/tmp/to_scwrl_1476897646.seq -o /var/tmp/from_scwrl_1476897646.pdb > /var/tmp/scwrl_1476897646.log sh: /var/tmp/scwrl_1476897646.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1476897646.pdb or /var/tmp/from_scwrl_1476897646.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476897646_b.pdb or decoys//var/tmp/from_scwrl_1476897646_b.pdb.gz for input Trying /var/tmp/from_scwrl_1476897646_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476897646_b.pdb or /var/tmp/from_scwrl_1476897646_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476897646_a.pdb or decoys//var/tmp/from_scwrl_1476897646_a.pdb.gz for input Trying /var/tmp/from_scwrl_1476897646_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476897646_a.pdb or /var/tmp/from_scwrl_1476897646_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1476897646.pdb or /var/tmp/from_scwrl_1476897646_b.pdb or /var/tmp/from_scwrl_1476897646_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_979170915.pdb -s /var/tmp/to_scwrl_979170915.seq -o /var/tmp/from_scwrl_979170915.pdb > /var/tmp/scwrl_979170915.log sh: /var/tmp/scwrl_979170915.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_979170915.pdb or /var/tmp/from_scwrl_979170915.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_979170915_b.pdb or decoys//var/tmp/from_scwrl_979170915_b.pdb.gz for input Trying /var/tmp/from_scwrl_979170915_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_979170915_b.pdb or /var/tmp/from_scwrl_979170915_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_979170915_a.pdb or decoys//var/tmp/from_scwrl_979170915_a.pdb.gz for input Trying /var/tmp/from_scwrl_979170915_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_979170915_a.pdb or /var/tmp/from_scwrl_979170915_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_979170915.pdb or /var/tmp/from_scwrl_979170915_b.pdb or /var/tmp/from_scwrl_979170915_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_443535210.pdb -s /var/tmp/to_scwrl_443535210.seq -o /var/tmp/from_scwrl_443535210.pdb > /var/tmp/scwrl_443535210.log sh: /var/tmp/scwrl_443535210.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_443535210.pdb or /var/tmp/from_scwrl_443535210.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_443535210_b.pdb or decoys//var/tmp/from_scwrl_443535210_b.pdb.gz for input Trying /var/tmp/from_scwrl_443535210_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_443535210_b.pdb or /var/tmp/from_scwrl_443535210_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_443535210_a.pdb or decoys//var/tmp/from_scwrl_443535210_a.pdb.gz for input Trying /var/tmp/from_scwrl_443535210_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_443535210_a.pdb or /var/tmp/from_scwrl_443535210_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_443535210.pdb or /var/tmp/from_scwrl_443535210_b.pdb or /var/tmp/from_scwrl_443535210_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1806553563.pdb -s /var/tmp/to_scwrl_1806553563.seq -o /var/tmp/from_scwrl_1806553563.pdb > /var/tmp/scwrl_1806553563.log sh: /var/tmp/scwrl_1806553563.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1806553563.pdb or /var/tmp/from_scwrl_1806553563.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1806553563_b.pdb or decoys//var/tmp/from_scwrl_1806553563_b.pdb.gz for input Trying /var/tmp/from_scwrl_1806553563_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1806553563_b.pdb or /var/tmp/from_scwrl_1806553563_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1806553563_a.pdb or decoys//var/tmp/from_scwrl_1806553563_a.pdb.gz for input Trying /var/tmp/from_scwrl_1806553563_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1806553563_a.pdb or /var/tmp/from_scwrl_1806553563_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1806553563.pdb or /var/tmp/from_scwrl_1806553563_b.pdb or /var/tmp/from_scwrl_1806553563_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1611861660.pdb -s /var/tmp/to_scwrl_1611861660.seq -o /var/tmp/from_scwrl_1611861660.pdb > /var/tmp/scwrl_1611861660.log sh: /var/tmp/scwrl_1611861660.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1611861660.pdb or /var/tmp/from_scwrl_1611861660.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1611861660_b.pdb or decoys//var/tmp/from_scwrl_1611861660_b.pdb.gz for input Trying /var/tmp/from_scwrl_1611861660_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1611861660_b.pdb or /var/tmp/from_scwrl_1611861660_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1611861660_a.pdb or decoys//var/tmp/from_scwrl_1611861660_a.pdb.gz for input Trying /var/tmp/from_scwrl_1611861660_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1611861660_a.pdb or /var/tmp/from_scwrl_1611861660_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1611861660.pdb or /var/tmp/from_scwrl_1611861660_b.pdb or /var/tmp/from_scwrl_1611861660_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 # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1349677234.pdb -s /var/tmp/to_scwrl_1349677234.seq -o /var/tmp/from_scwrl_1349677234.pdb > /var/tmp/scwrl_1349677234.log sh: /var/tmp/scwrl_1349677234.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1349677234.pdb or /var/tmp/from_scwrl_1349677234.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1349677234_b.pdb or decoys//var/tmp/from_scwrl_1349677234_b.pdb.gz for input Trying /var/tmp/from_scwrl_1349677234_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1349677234_b.pdb or /var/tmp/from_scwrl_1349677234_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1349677234_a.pdb or decoys//var/tmp/from_scwrl_1349677234_a.pdb.gz for input Trying /var/tmp/from_scwrl_1349677234_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1349677234_a.pdb or /var/tmp/from_scwrl_1349677234_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1349677234.pdb or /var/tmp/from_scwrl_1349677234_b.pdb or /var/tmp/from_scwrl_1349677234_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 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1079805303.pdb -s /var/tmp/to_scwrl_1079805303.seq -o /var/tmp/from_scwrl_1079805303.pdb > /var/tmp/scwrl_1079805303.log sh: /var/tmp/scwrl_1079805303.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1079805303.pdb or /var/tmp/from_scwrl_1079805303.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1079805303_b.pdb or decoys//var/tmp/from_scwrl_1079805303_b.pdb.gz for input Trying /var/tmp/from_scwrl_1079805303_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1079805303_b.pdb or /var/tmp/from_scwrl_1079805303_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1079805303_a.pdb or decoys//var/tmp/from_scwrl_1079805303_a.pdb.gz for input Trying /var/tmp/from_scwrl_1079805303_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1079805303_a.pdb or /var/tmp/from_scwrl_1079805303_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1079805303.pdb or /var/tmp/from_scwrl_1079805303_b.pdb or /var/tmp/from_scwrl_1079805303_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 88 ; scwrl3 -i /var/tmp/to_scwrl_1782510648.pdb -s /var/tmp/to_scwrl_1782510648.seq -o /var/tmp/from_scwrl_1782510648.pdb > /var/tmp/scwrl_1782510648.log sh: /var/tmp/scwrl_1782510648.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1782510648.pdb or /var/tmp/from_scwrl_1782510648.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1782510648_b.pdb or decoys//var/tmp/from_scwrl_1782510648_b.pdb.gz for input Trying /var/tmp/from_scwrl_1782510648_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1782510648_b.pdb or /var/tmp/from_scwrl_1782510648_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1782510648_a.pdb or decoys//var/tmp/from_scwrl_1782510648_a.pdb.gz for input Trying /var/tmp/from_scwrl_1782510648_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1782510648_a.pdb or /var/tmp/from_scwrl_1782510648_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1782510648.pdb or /var/tmp/from_scwrl_1782510648_b.pdb or /var/tmp/from_scwrl_1782510648_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 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1808318822.pdb -s /var/tmp/to_scwrl_1808318822.seq -o /var/tmp/from_scwrl_1808318822.pdb > /var/tmp/scwrl_1808318822.log sh: /var/tmp/scwrl_1808318822.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1808318822.pdb or /var/tmp/from_scwrl_1808318822.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1808318822_b.pdb or decoys//var/tmp/from_scwrl_1808318822_b.pdb.gz for input Trying /var/tmp/from_scwrl_1808318822_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1808318822_b.pdb or /var/tmp/from_scwrl_1808318822_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1808318822_a.pdb or decoys//var/tmp/from_scwrl_1808318822_a.pdb.gz for input Trying /var/tmp/from_scwrl_1808318822_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1808318822_a.pdb or /var/tmp/from_scwrl_1808318822_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1808318822.pdb or /var/tmp/from_scwrl_1808318822_b.pdb or /var/tmp/from_scwrl_1808318822_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 WARNING: atoms too close: (T0311)D84.O and (T0311)V85.N only 0.000 apart, marking (T0311)V85.N as missing # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1710929027.pdb -s /var/tmp/to_scwrl_1710929027.seq -o /var/tmp/from_scwrl_1710929027.pdb > /var/tmp/scwrl_1710929027.log sh: /var/tmp/scwrl_1710929027.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1710929027.pdb or /var/tmp/from_scwrl_1710929027.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1710929027_b.pdb or decoys//var/tmp/from_scwrl_1710929027_b.pdb.gz for input Trying /var/tmp/from_scwrl_1710929027_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1710929027_b.pdb or /var/tmp/from_scwrl_1710929027_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1710929027_a.pdb or decoys//var/tmp/from_scwrl_1710929027_a.pdb.gz for input Trying /var/tmp/from_scwrl_1710929027_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1710929027_a.pdb or /var/tmp/from_scwrl_1710929027_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1710929027.pdb or /var/tmp/from_scwrl_1710929027_b.pdb or /var/tmp/from_scwrl_1710929027_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: (T0311)V22.O and (T0311)S23.N only 0.000 apart, marking (T0311)S23.N as missing # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1289308618.pdb -s /var/tmp/to_scwrl_1289308618.seq -o /var/tmp/from_scwrl_1289308618.pdb > /var/tmp/scwrl_1289308618.log sh: /var/tmp/scwrl_1289308618.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1289308618.pdb or /var/tmp/from_scwrl_1289308618.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1289308618_b.pdb or decoys//var/tmp/from_scwrl_1289308618_b.pdb.gz for input Trying /var/tmp/from_scwrl_1289308618_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1289308618_b.pdb or /var/tmp/from_scwrl_1289308618_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1289308618_a.pdb or decoys//var/tmp/from_scwrl_1289308618_a.pdb.gz for input Trying /var/tmp/from_scwrl_1289308618_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1289308618_a.pdb or /var/tmp/from_scwrl_1289308618_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1289308618.pdb or /var/tmp/from_scwrl_1289308618_b.pdb or /var/tmp/from_scwrl_1289308618_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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1628078702.pdb -s /var/tmp/to_scwrl_1628078702.seq -o /var/tmp/from_scwrl_1628078702.pdb > /var/tmp/scwrl_1628078702.log sh: /var/tmp/scwrl_1628078702.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1628078702.pdb or /var/tmp/from_scwrl_1628078702.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1628078702_b.pdb or decoys//var/tmp/from_scwrl_1628078702_b.pdb.gz for input Trying /var/tmp/from_scwrl_1628078702_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1628078702_b.pdb or /var/tmp/from_scwrl_1628078702_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1628078702_a.pdb or decoys//var/tmp/from_scwrl_1628078702_a.pdb.gz for input Trying /var/tmp/from_scwrl_1628078702_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1628078702_a.pdb or /var/tmp/from_scwrl_1628078702_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1628078702.pdb or /var/tmp/from_scwrl_1628078702_b.pdb or /var/tmp/from_scwrl_1628078702_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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_492956322.pdb -s /var/tmp/to_scwrl_492956322.seq -o /var/tmp/from_scwrl_492956322.pdb > /var/tmp/scwrl_492956322.log sh: /var/tmp/scwrl_492956322.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_492956322.pdb or /var/tmp/from_scwrl_492956322.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_492956322_b.pdb or decoys//var/tmp/from_scwrl_492956322_b.pdb.gz for input Trying /var/tmp/from_scwrl_492956322_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_492956322_b.pdb or /var/tmp/from_scwrl_492956322_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_492956322_a.pdb or decoys//var/tmp/from_scwrl_492956322_a.pdb.gz for input Trying /var/tmp/from_scwrl_492956322_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_492956322_a.pdb or /var/tmp/from_scwrl_492956322_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_492956322.pdb or /var/tmp/from_scwrl_492956322_b.pdb or /var/tmp/from_scwrl_492956322_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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1118317831.pdb -s /var/tmp/to_scwrl_1118317831.seq -o /var/tmp/from_scwrl_1118317831.pdb > /var/tmp/scwrl_1118317831.log sh: /var/tmp/scwrl_1118317831.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1118317831.pdb or /var/tmp/from_scwrl_1118317831.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1118317831_b.pdb or decoys//var/tmp/from_scwrl_1118317831_b.pdb.gz for input Trying /var/tmp/from_scwrl_1118317831_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1118317831_b.pdb or /var/tmp/from_scwrl_1118317831_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1118317831_a.pdb or decoys//var/tmp/from_scwrl_1118317831_a.pdb.gz for input Trying /var/tmp/from_scwrl_1118317831_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1118317831_a.pdb or /var/tmp/from_scwrl_1118317831_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1118317831.pdb or /var/tmp/from_scwrl_1118317831_b.pdb or /var/tmp/from_scwrl_1118317831_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 T0311 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1132944826.pdb -s /var/tmp/to_scwrl_1132944826.seq -o /var/tmp/from_scwrl_1132944826.pdb > /var/tmp/scwrl_1132944826.log sh: /var/tmp/scwrl_1132944826.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1132944826.pdb or /var/tmp/from_scwrl_1132944826.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1132944826_b.pdb or decoys//var/tmp/from_scwrl_1132944826_b.pdb.gz for input Trying /var/tmp/from_scwrl_1132944826_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1132944826_b.pdb or /var/tmp/from_scwrl_1132944826_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1132944826_a.pdb or decoys//var/tmp/from_scwrl_1132944826_a.pdb.gz for input Trying /var/tmp/from_scwrl_1132944826_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1132944826_a.pdb or /var/tmp/from_scwrl_1132944826_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1132944826.pdb or /var/tmp/from_scwrl_1132944826_b.pdb or /var/tmp/from_scwrl_1132944826_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 T0311 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1134025838.pdb -s /var/tmp/to_scwrl_1134025838.seq -o /var/tmp/from_scwrl_1134025838.pdb > /var/tmp/scwrl_1134025838.log sh: /var/tmp/scwrl_1134025838.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1134025838.pdb or /var/tmp/from_scwrl_1134025838.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1134025838_b.pdb or decoys//var/tmp/from_scwrl_1134025838_b.pdb.gz for input Trying /var/tmp/from_scwrl_1134025838_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1134025838_b.pdb or /var/tmp/from_scwrl_1134025838_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1134025838_a.pdb or decoys//var/tmp/from_scwrl_1134025838_a.pdb.gz for input Trying /var/tmp/from_scwrl_1134025838_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1134025838_a.pdb or /var/tmp/from_scwrl_1134025838_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1134025838.pdb or /var/tmp/from_scwrl_1134025838_b.pdb or /var/tmp/from_scwrl_1134025838_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 T0311 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1786102636.pdb -s /var/tmp/to_scwrl_1786102636.seq -o /var/tmp/from_scwrl_1786102636.pdb > /var/tmp/scwrl_1786102636.log sh: /var/tmp/scwrl_1786102636.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1786102636.pdb or /var/tmp/from_scwrl_1786102636.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1786102636_b.pdb or decoys//var/tmp/from_scwrl_1786102636_b.pdb.gz for input Trying /var/tmp/from_scwrl_1786102636_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1786102636_b.pdb or /var/tmp/from_scwrl_1786102636_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1786102636_a.pdb or decoys//var/tmp/from_scwrl_1786102636_a.pdb.gz for input Trying /var/tmp/from_scwrl_1786102636_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1786102636_a.pdb or /var/tmp/from_scwrl_1786102636_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1786102636.pdb or /var/tmp/from_scwrl_1786102636_b.pdb or /var/tmp/from_scwrl_1786102636_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 T0311 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_462772182.pdb -s /var/tmp/to_scwrl_462772182.seq -o /var/tmp/from_scwrl_462772182.pdb > /var/tmp/scwrl_462772182.log sh: /var/tmp/scwrl_462772182.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_462772182.pdb or /var/tmp/from_scwrl_462772182.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_462772182_b.pdb or decoys//var/tmp/from_scwrl_462772182_b.pdb.gz for input Trying /var/tmp/from_scwrl_462772182_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_462772182_b.pdb or /var/tmp/from_scwrl_462772182_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_462772182_a.pdb or decoys//var/tmp/from_scwrl_462772182_a.pdb.gz for input Trying /var/tmp/from_scwrl_462772182_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_462772182_a.pdb or /var/tmp/from_scwrl_462772182_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_462772182.pdb or /var/tmp/from_scwrl_462772182_b.pdb or /var/tmp/from_scwrl_462772182_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 T0311 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_311026659.pdb -s /var/tmp/to_scwrl_311026659.seq -o /var/tmp/from_scwrl_311026659.pdb > /var/tmp/scwrl_311026659.log sh: /var/tmp/scwrl_311026659.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_311026659.pdb or /var/tmp/from_scwrl_311026659.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_311026659_b.pdb or decoys//var/tmp/from_scwrl_311026659_b.pdb.gz for input Trying /var/tmp/from_scwrl_311026659_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_311026659_b.pdb or /var/tmp/from_scwrl_311026659_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_311026659_a.pdb or decoys//var/tmp/from_scwrl_311026659_a.pdb.gz for input Trying /var/tmp/from_scwrl_311026659_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_311026659_a.pdb or /var/tmp/from_scwrl_311026659_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_311026659.pdb or /var/tmp/from_scwrl_311026659_b.pdb or /var/tmp/from_scwrl_311026659_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 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_171811144.pdb -s /var/tmp/to_scwrl_171811144.seq -o /var/tmp/from_scwrl_171811144.pdb > /var/tmp/scwrl_171811144.log sh: /var/tmp/scwrl_171811144.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_171811144.pdb or /var/tmp/from_scwrl_171811144.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_171811144_b.pdb or decoys//var/tmp/from_scwrl_171811144_b.pdb.gz for input Trying /var/tmp/from_scwrl_171811144_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_171811144_b.pdb or /var/tmp/from_scwrl_171811144_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_171811144_a.pdb or decoys//var/tmp/from_scwrl_171811144_a.pdb.gz for input Trying /var/tmp/from_scwrl_171811144_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_171811144_a.pdb or /var/tmp/from_scwrl_171811144_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_171811144.pdb or /var/tmp/from_scwrl_171811144_b.pdb or /var/tmp/from_scwrl_171811144_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 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1173605037.pdb -s /var/tmp/to_scwrl_1173605037.seq -o /var/tmp/from_scwrl_1173605037.pdb > /var/tmp/scwrl_1173605037.log sh: /var/tmp/scwrl_1173605037.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1173605037.pdb or /var/tmp/from_scwrl_1173605037.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1173605037_b.pdb or decoys//var/tmp/from_scwrl_1173605037_b.pdb.gz for input Trying /var/tmp/from_scwrl_1173605037_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1173605037_b.pdb or /var/tmp/from_scwrl_1173605037_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1173605037_a.pdb or decoys//var/tmp/from_scwrl_1173605037_a.pdb.gz for input Trying /var/tmp/from_scwrl_1173605037_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1173605037_a.pdb or /var/tmp/from_scwrl_1173605037_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1173605037.pdb or /var/tmp/from_scwrl_1173605037_b.pdb or /var/tmp/from_scwrl_1173605037_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 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_483658862.pdb -s /var/tmp/to_scwrl_483658862.seq -o /var/tmp/from_scwrl_483658862.pdb > /var/tmp/scwrl_483658862.log sh: /var/tmp/scwrl_483658862.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_483658862.pdb or /var/tmp/from_scwrl_483658862.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483658862_b.pdb or decoys//var/tmp/from_scwrl_483658862_b.pdb.gz for input Trying /var/tmp/from_scwrl_483658862_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_483658862_b.pdb or /var/tmp/from_scwrl_483658862_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483658862_a.pdb or decoys//var/tmp/from_scwrl_483658862_a.pdb.gz for input Trying /var/tmp/from_scwrl_483658862_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_483658862_a.pdb or /var/tmp/from_scwrl_483658862_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_483658862.pdb or /var/tmp/from_scwrl_483658862_b.pdb or /var/tmp/from_scwrl_483658862_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 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_603531687.pdb -s /var/tmp/to_scwrl_603531687.seq -o /var/tmp/from_scwrl_603531687.pdb > /var/tmp/scwrl_603531687.log sh: /var/tmp/scwrl_603531687.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_603531687.pdb or /var/tmp/from_scwrl_603531687.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_603531687_b.pdb or decoys//var/tmp/from_scwrl_603531687_b.pdb.gz for input Trying /var/tmp/from_scwrl_603531687_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_603531687_b.pdb or /var/tmp/from_scwrl_603531687_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_603531687_a.pdb or decoys//var/tmp/from_scwrl_603531687_a.pdb.gz for input Trying /var/tmp/from_scwrl_603531687_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_603531687_a.pdb or /var/tmp/from_scwrl_603531687_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_603531687.pdb or /var/tmp/from_scwrl_603531687_b.pdb or /var/tmp/from_scwrl_603531687_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 # WARNING: incomplete conformation T0311 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_529838055.pdb -s /var/tmp/to_scwrl_529838055.seq -o /var/tmp/from_scwrl_529838055.pdb > /var/tmp/scwrl_529838055.log sh: /var/tmp/scwrl_529838055.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_529838055.pdb or /var/tmp/from_scwrl_529838055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_529838055_b.pdb or decoys//var/tmp/from_scwrl_529838055_b.pdb.gz for input Trying /var/tmp/from_scwrl_529838055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_529838055_b.pdb or /var/tmp/from_scwrl_529838055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_529838055_a.pdb or decoys//var/tmp/from_scwrl_529838055_a.pdb.gz for input Trying /var/tmp/from_scwrl_529838055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_529838055_a.pdb or /var/tmp/from_scwrl_529838055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_529838055.pdb or /var/tmp/from_scwrl_529838055_b.pdb or /var/tmp/from_scwrl_529838055_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 T0311 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_262746892.pdb -s /var/tmp/to_scwrl_262746892.seq -o /var/tmp/from_scwrl_262746892.pdb > /var/tmp/scwrl_262746892.log sh: /var/tmp/scwrl_262746892.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_262746892.pdb or /var/tmp/from_scwrl_262746892.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_262746892_b.pdb or decoys//var/tmp/from_scwrl_262746892_b.pdb.gz for input Trying /var/tmp/from_scwrl_262746892_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_262746892_b.pdb or /var/tmp/from_scwrl_262746892_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_262746892_a.pdb or decoys//var/tmp/from_scwrl_262746892_a.pdb.gz for input Trying /var/tmp/from_scwrl_262746892_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_262746892_a.pdb or /var/tmp/from_scwrl_262746892_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_262746892.pdb or /var/tmp/from_scwrl_262746892_b.pdb or /var/tmp/from_scwrl_262746892_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 T0311 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_220937284.pdb -s /var/tmp/to_scwrl_220937284.seq -o /var/tmp/from_scwrl_220937284.pdb > /var/tmp/scwrl_220937284.log sh: /var/tmp/scwrl_220937284.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_220937284.pdb or /var/tmp/from_scwrl_220937284.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_220937284_b.pdb or decoys//var/tmp/from_scwrl_220937284_b.pdb.gz for input Trying /var/tmp/from_scwrl_220937284_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_220937284_b.pdb or /var/tmp/from_scwrl_220937284_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_220937284_a.pdb or decoys//var/tmp/from_scwrl_220937284_a.pdb.gz for input Trying /var/tmp/from_scwrl_220937284_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_220937284_a.pdb or /var/tmp/from_scwrl_220937284_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_220937284.pdb or /var/tmp/from_scwrl_220937284_b.pdb or /var/tmp/from_scwrl_220937284_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 T0311 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1178802993.pdb -s /var/tmp/to_scwrl_1178802993.seq -o /var/tmp/from_scwrl_1178802993.pdb > /var/tmp/scwrl_1178802993.log sh: /var/tmp/scwrl_1178802993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1178802993.pdb or /var/tmp/from_scwrl_1178802993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1178802993_b.pdb or decoys//var/tmp/from_scwrl_1178802993_b.pdb.gz for input Trying /var/tmp/from_scwrl_1178802993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1178802993_b.pdb or /var/tmp/from_scwrl_1178802993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1178802993_a.pdb or decoys//var/tmp/from_scwrl_1178802993_a.pdb.gz for input Trying /var/tmp/from_scwrl_1178802993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1178802993_a.pdb or /var/tmp/from_scwrl_1178802993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1178802993.pdb or /var/tmp/from_scwrl_1178802993_b.pdb or /var/tmp/from_scwrl_1178802993_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 T0311 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1594531337.pdb -s /var/tmp/to_scwrl_1594531337.seq -o /var/tmp/from_scwrl_1594531337.pdb > /var/tmp/scwrl_1594531337.log sh: /var/tmp/scwrl_1594531337.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1594531337.pdb or /var/tmp/from_scwrl_1594531337.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1594531337_b.pdb or decoys//var/tmp/from_scwrl_1594531337_b.pdb.gz for input Trying /var/tmp/from_scwrl_1594531337_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1594531337_b.pdb or /var/tmp/from_scwrl_1594531337_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1594531337_a.pdb or decoys//var/tmp/from_scwrl_1594531337_a.pdb.gz for input Trying /var/tmp/from_scwrl_1594531337_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1594531337_a.pdb or /var/tmp/from_scwrl_1594531337_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1594531337.pdb or /var/tmp/from_scwrl_1594531337_b.pdb or /var/tmp/from_scwrl_1594531337_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 T0311 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_747765483.pdb -s /var/tmp/to_scwrl_747765483.seq -o /var/tmp/from_scwrl_747765483.pdb > /var/tmp/scwrl_747765483.log sh: /var/tmp/scwrl_747765483.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_747765483.pdb or /var/tmp/from_scwrl_747765483.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_747765483_b.pdb or decoys//var/tmp/from_scwrl_747765483_b.pdb.gz for input Trying /var/tmp/from_scwrl_747765483_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_747765483_b.pdb or /var/tmp/from_scwrl_747765483_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_747765483_a.pdb or decoys//var/tmp/from_scwrl_747765483_a.pdb.gz for input Trying /var/tmp/from_scwrl_747765483_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_747765483_a.pdb or /var/tmp/from_scwrl_747765483_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_747765483.pdb or /var/tmp/from_scwrl_747765483_b.pdb or /var/tmp/from_scwrl_747765483_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 T0311 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1904886376.pdb -s /var/tmp/to_scwrl_1904886376.seq -o /var/tmp/from_scwrl_1904886376.pdb > /var/tmp/scwrl_1904886376.log sh: /var/tmp/scwrl_1904886376.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1904886376.pdb or /var/tmp/from_scwrl_1904886376.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1904886376_b.pdb or decoys//var/tmp/from_scwrl_1904886376_b.pdb.gz for input Trying /var/tmp/from_scwrl_1904886376_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1904886376_b.pdb or /var/tmp/from_scwrl_1904886376_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1904886376_a.pdb or decoys//var/tmp/from_scwrl_1904886376_a.pdb.gz for input Trying /var/tmp/from_scwrl_1904886376_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1904886376_a.pdb or /var/tmp/from_scwrl_1904886376_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1904886376.pdb or /var/tmp/from_scwrl_1904886376_b.pdb or /var/tmp/from_scwrl_1904886376_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 T0311 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1610069548.pdb -s /var/tmp/to_scwrl_1610069548.seq -o /var/tmp/from_scwrl_1610069548.pdb > /var/tmp/scwrl_1610069548.log sh: /var/tmp/scwrl_1610069548.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1610069548.pdb or /var/tmp/from_scwrl_1610069548.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1610069548_b.pdb or decoys//var/tmp/from_scwrl_1610069548_b.pdb.gz for input Trying /var/tmp/from_scwrl_1610069548_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1610069548_b.pdb or /var/tmp/from_scwrl_1610069548_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1610069548_a.pdb or decoys//var/tmp/from_scwrl_1610069548_a.pdb.gz for input Trying /var/tmp/from_scwrl_1610069548_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1610069548_a.pdb or /var/tmp/from_scwrl_1610069548_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1610069548.pdb or /var/tmp/from_scwrl_1610069548_b.pdb or /var/tmp/from_scwrl_1610069548_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 T0311 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_77179482.pdb -s /var/tmp/to_scwrl_77179482.seq -o /var/tmp/from_scwrl_77179482.pdb > /var/tmp/scwrl_77179482.log sh: /var/tmp/scwrl_77179482.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_77179482.pdb or /var/tmp/from_scwrl_77179482.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_77179482_b.pdb or decoys//var/tmp/from_scwrl_77179482_b.pdb.gz for input Trying /var/tmp/from_scwrl_77179482_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_77179482_b.pdb or /var/tmp/from_scwrl_77179482_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_77179482_a.pdb or decoys//var/tmp/from_scwrl_77179482_a.pdb.gz for input Trying /var/tmp/from_scwrl_77179482_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_77179482_a.pdb or /var/tmp/from_scwrl_77179482_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_77179482.pdb or /var/tmp/from_scwrl_77179482_b.pdb or /var/tmp/from_scwrl_77179482_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 21.128 sec, elapsed time= 26.589 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 56.672 real_cost = -9.135 panther2_TS1-scwrl costs 79.361 real_cost = 40.863 nFOLD_TS5-scwrl costs 67.455 real_cost = -10.325 nFOLD_TS4-scwrl costs 68.750 real_cost = 86.822 nFOLD_TS3-scwrl costs 51.990 real_cost = 33.252 nFOLD_TS2-scwrl costs 62.953 real_cost = 71.275 nFOLD_TS1-scwrl costs 48.712 real_cost = 7.098 mGen-3D_TS1-scwrl costs 46.983 real_cost = 42.791 keasar-server_TS5-scwrl costs 51.741 real_cost = 0.365 keasar-server_TS4-scwrl costs 51.814 real_cost = 31.036 keasar-server_TS3-scwrl costs 63.998 real_cost = 8.416 keasar-server_TS2-scwrl costs 53.486 real_cost = 21.331 keasar-server_TS1-scwrl costs 63.444 real_cost = 8.860 karypis.srv_TS5-scwrl costs 52.977 real_cost = -90.218 karypis.srv_TS4-scwrl costs 51.267 real_cost = -97.483 karypis.srv_TS3-scwrl costs 62.147 real_cost = -70.832 karypis.srv_TS2-scwrl costs 73.088 real_cost = -57.269 karypis.srv_TS1-scwrl costs 56.984 real_cost = -61.838 karypis.srv.4_TS5-scwrl costs 160.531 real_cost = 238.735 karypis.srv.4_TS4-scwrl costs 118.734 real_cost = 182.100 karypis.srv.4_TS3-scwrl costs 122.813 real_cost = 193.269 karypis.srv.4_TS2-scwrl costs 127.880 real_cost = 246.188 karypis.srv.4_TS1-scwrl costs 118.786 real_cost = 170.440 karypis.srv.2_TS5-scwrl costs 51.305 real_cost = -22.591 karypis.srv.2_TS4-scwrl costs 68.025 real_cost = -38.962 karypis.srv.2_TS3-scwrl costs 59.008 real_cost = -39.697 karypis.srv.2_TS2-scwrl costs 66.522 real_cost = -29.738 karypis.srv.2_TS1-scwrl costs 69.059 real_cost = -0.665 gtg_AL5-scwrl costs 67.353 real_cost = 35.879 gtg_AL4-scwrl costs 59.233 real_cost = -55.160 gtg_AL3-scwrl costs 56.784 real_cost = 45.945 gtg_AL2-scwrl costs 81.452 real_cost = 22.322 gtg_AL1-scwrl costs 54.319 real_cost = 52.081 forecast-s_AL5-scwrl costs 97.284 real_cost = 326.322 forecast-s_AL4-scwrl costs 55.939 real_cost = -28.706 forecast-s_AL3-scwrl costs 60.825 real_cost = 33.004 forecast-s_AL2-scwrl costs 47.806 real_cost = 54.438 forecast-s_AL1-scwrl costs 64.108 real_cost = -47.627 beautshotbase_TS1-scwrl costs 60.256 real_cost = -74.331 beautshot_TS1-scwrl costs 45.511 real_cost = -21.144 Zhang-Server_TS5-scwrl costs 32.315 real_cost = -99.208 Zhang-Server_TS4-scwrl costs 62.234 real_cost = -79.756 Zhang-Server_TS3-scwrl costs 53.102 real_cost = -28.656 Zhang-Server_TS2-scwrl costs 42.580 real_cost = -67.578 Zhang-Server_TS1-scwrl costs 42.319 real_cost = -34.429 UNI-EID_sfst_AL5-scwrl costs 65.590 real_cost = -60.401 UNI-EID_sfst_AL4-scwrl costs 63.972 real_cost = -16.839 UNI-EID_sfst_AL3-scwrl costs 62.407 real_cost = -0.091 UNI-EID_sfst_AL2-scwrl costs 54.390 real_cost = -18.470 UNI-EID_sfst_AL1-scwrl costs 48.416 real_cost = -6.962 UNI-EID_expm_TS1-scwrl costs 96.943 real_cost = 55.927 UNI-EID_bnmx_TS5-scwrl costs 72.787 real_cost = 8.425 UNI-EID_bnmx_TS4-scwrl costs 85.608 real_cost = 77.178 UNI-EID_bnmx_TS3-scwrl costs 62.407 real_cost = -0.091 UNI-EID_bnmx_TS2-scwrl costs 65.082 real_cost = -3.201 UNI-EID_bnmx_TS1-scwrl costs 44.746 real_cost = 59.734 SPARKS2_TS5-scwrl costs 58.265 real_cost = -4.238 SPARKS2_TS4-scwrl costs 70.378 real_cost = -7.145 SPARKS2_TS3-scwrl costs 73.675 real_cost = -5.879 SPARKS2_TS2-scwrl costs 60.678 real_cost = 19.745 SPARKS2_TS1-scwrl costs 69.722 real_cost = -14.560 SP4_TS5-scwrl costs 69.722 real_cost = -14.560 SP4_TS4-scwrl costs 73.675 real_cost = -5.879 SP4_TS3-scwrl costs 53.689 real_cost = -1.917 SP4_TS2-scwrl costs 69.891 real_cost = 10.425 SP4_TS1-scwrl costs 50.042 real_cost = -8.156 SP3_TS5-scwrl costs 65.060 real_cost = -30.018 SP3_TS4-scwrl costs 69.722 real_cost = -14.560 SP3_TS3-scwrl costs 73.675 real_cost = -5.879 SP3_TS2-scwrl costs 53.469 real_cost = -25.528 SP3_TS1-scwrl costs 69.891 real_cost = 10.425 SAM_T06_server_TS5-scwrl costs 65.552 real_cost = -30.533 SAM_T06_server_TS4-scwrl costs 50.536 real_cost = 14.778 SAM_T06_server_TS3-scwrl costs 68.280 real_cost = -44.096 SAM_T06_server_TS2-scwrl costs 43.693 real_cost = -81.184 SAM_T06_server_TS1-scwrl costs 32.500 real_cost = -80.548 SAM-T99_AL5-scwrl costs 65.430 real_cost = -25.627 SAM-T99_AL4-scwrl costs 51.334 real_cost = -61.110 SAM-T99_AL3-scwrl costs 55.845 real_cost = -64.180 SAM-T99_AL2-scwrl costs 52.021 real_cost = -60.874 SAM-T99_AL1-scwrl costs 59.129 real_cost = -7.379 SAM-T02_AL5-scwrl costs 53.572 real_cost = -56.417 SAM-T02_AL4-scwrl costs 66.050 real_cost = -39.628 SAM-T02_AL3-scwrl costs 75.300 real_cost = 23.589 SAM-T02_AL2-scwrl costs 50.143 real_cost = -54.324 SAM-T02_AL1-scwrl costs 65.795 real_cost = -13.922 ROKKY_TS5-scwrl costs 65.108 real_cost = -49.282 ROKKY_TS4-scwrl costs 69.736 real_cost = -36.064 ROKKY_TS3-scwrl costs 73.834 real_cost = -15.726 ROKKY_TS2-scwrl costs 63.481 real_cost = -49.349 ROKKY_TS1-scwrl costs 71.168 real_cost = -36.318 ROBETTA_TS5-scwrl costs 37.841 real_cost = -33.266 ROBETTA_TS4-scwrl costs 36.132 real_cost = -24.941 ROBETTA_TS3-scwrl costs 30.625 real_cost = -14.687 ROBETTA_TS2-scwrl costs 46.236 real_cost = -0.456 ROBETTA_TS1-scwrl costs 52.905 real_cost = 4.642 RAPTOR_TS5-scwrl costs 72.139 real_cost = 56.909 RAPTOR_TS4-scwrl costs 50.033 real_cost = -65.890 RAPTOR_TS3-scwrl costs 51.081 real_cost = -26.981 RAPTOR_TS2-scwrl costs 68.591 real_cost = 42.889 RAPTOR_TS1-scwrl costs 61.881 real_cost = -35.940 RAPTORESS_TS5-scwrl costs 88.476 real_cost = 127.045 RAPTORESS_TS4-scwrl costs 65.362 real_cost = -38.565 RAPTORESS_TS3-scwrl costs 58.590 real_cost = -9.630 RAPTORESS_TS2-scwrl costs 82.289 real_cost = 62.625 RAPTORESS_TS1-scwrl costs 69.212 real_cost = -27.907 RAPTOR-ACE_TS5-scwrl costs 53.469 real_cost = -25.528 RAPTOR-ACE_TS4-scwrl costs 68.263 real_cost = 4.082 RAPTOR-ACE_TS3-scwrl costs 55.050 real_cost = -36.631 RAPTOR-ACE_TS2-scwrl costs 68.568 real_cost = 32.506 RAPTOR-ACE_TS1-scwrl costs 54.600 real_cost = -19.698 Pmodeller6_TS5-scwrl costs 48.150 real_cost = -129.225 Pmodeller6_TS4-scwrl costs 37.841 real_cost = -33.266 Pmodeller6_TS3-scwrl costs 31.564 real_cost = -70.087 Pmodeller6_TS2-scwrl costs 54.564 real_cost = -103.783 Pmodeller6_TS1-scwrl costs 51.071 real_cost = -128.728 Phyre-2_TS5-scwrl costs 68.273 real_cost = -40.082 Phyre-2_TS4-scwrl costs 51.056 real_cost = -42.221 Phyre-2_TS3-scwrl costs 68.273 real_cost = -40.082 Phyre-2_TS2-scwrl costs 68.273 real_cost = -40.082 Phyre-2_TS1-scwrl costs 49.508 real_cost = -35.077 Phyre-1_TS1-scwrl costs 59.180 real_cost = -50.132 Pcons6_TS5-scwrl costs 58.405 real_cost = -90.192 Pcons6_TS4-scwrl costs 60.101 real_cost = -116.813 Pcons6_TS3-scwrl costs 42.920 real_cost = -93.858 Pcons6_TS2-scwrl costs 61.023 real_cost = -110.183 Pcons6_TS1-scwrl costs 56.607 real_cost = -86.379 PROTINFO_TS5-scwrl costs 50.378 real_cost = -89.948 PROTINFO_TS4-scwrl costs 88.582 real_cost = 57.809 PROTINFO_TS3-scwrl costs 53.234 real_cost = -28.169 PROTINFO_TS2-scwrl costs 47.034 real_cost = -27.149 PROTINFO_TS1-scwrl costs 50.640 real_cost = -76.221 PROTINFO-AB_TS5-scwrl costs 50.640 real_cost = -76.221 PROTINFO-AB_TS4-scwrl costs 44.303 real_cost = 122.848 PROTINFO-AB_TS3-scwrl costs 35.491 real_cost = 38.228 PROTINFO-AB_TS2-scwrl costs 53.417 real_cost = 115.190 PROTINFO-AB_TS1-scwrl costs 37.756 real_cost = 38.892 POMYSL_TS5-scwrl costs 108.341 real_cost = 206.472 POMYSL_TS4-scwrl costs 143.857 real_cost = 258.275 POMYSL_TS3-scwrl costs 152.834 real_cost = 221.305 POMYSL_TS2-scwrl costs 135.958 real_cost = 198.092 POMYSL_TS1-scwrl costs 122.484 real_cost = 181.498 NN_PUT_lab_TS1-scwrl costs 58.806 real_cost = -85.128 MetaTasser_TS5-scwrl costs 72.926 real_cost = 17.319 MetaTasser_TS4-scwrl costs 65.752 real_cost = 12.062 MetaTasser_TS3-scwrl costs 72.467 real_cost = 20.651 MetaTasser_TS2-scwrl costs 65.077 real_cost = 1.750 MetaTasser_TS1-scwrl costs 95.304 real_cost = 41.111 Ma-OPUS-server_TS5-scwrl costs 58.463 real_cost = 14.923 Ma-OPUS-server_TS4-scwrl costs 74.814 real_cost = 22.546 Ma-OPUS-server_TS3-scwrl costs 56.928 real_cost = -21.911 Ma-OPUS-server_TS2-scwrl costs 54.981 real_cost = 13.123 Ma-OPUS-server_TS1-scwrl costs 75.442 real_cost = 206.081 MIG_FROST_AL1-scwrl costs 113.223 real_cost = 164.175 LOOPP_TS5-scwrl costs 68.805 real_cost = -55.382 LOOPP_TS4-scwrl costs 57.728 real_cost = 66.048 LOOPP_TS3-scwrl costs 45.194 real_cost = 21.219 LOOPP_TS2-scwrl costs 54.308 real_cost = 15.327 LOOPP_TS1-scwrl costs 58.806 real_cost = -85.128 Huber-Torda-Server_TS5-scwrl costs 133.041 real_cost = 334.591 Huber-Torda-Server_TS4-scwrl costs 69.619 real_cost = 119.249 Huber-Torda-Server_TS3-scwrl costs 81.142 real_cost = 75.348 Huber-Torda-Server_TS2-scwrl costs 60.670 real_cost = 5.902 Huber-Torda-Server_TS1-scwrl costs 68.273 real_cost = -10.322 HHpred3_TS1-scwrl costs 77.074 real_cost = -6.509 HHpred2_TS1-scwrl costs 77.074 real_cost = -6.509 HHpred1_TS1-scwrl costs 61.058 real_cost = 23.867 GeneSilicoMetaServer_TS5-scwrl costs 82.425 real_cost = 39.873 GeneSilicoMetaServer_TS4-scwrl costs 67.823 real_cost = -5.187 GeneSilicoMetaServer_TS3-scwrl costs 69.808 real_cost = 32.991 GeneSilicoMetaServer_TS2-scwrl costs 72.139 real_cost = -3.867 GeneSilicoMetaServer_TS1-scwrl costs 72.722 real_cost = -16.182 FUNCTION_TS5-scwrl costs 61.495 real_cost = -12.622 FUNCTION_TS4-scwrl costs 48.502 real_cost = -61.378 FUNCTION_TS3-scwrl costs 84.288 real_cost = 19.142 FUNCTION_TS2-scwrl costs 68.104 real_cost = -20.056 FUNCTION_TS1-scwrl costs 73.363 real_cost = -57.612 FUGUE_AL5-scwrl costs 83.848 real_cost = 78.738 FUGUE_AL4-scwrl costs 70.217 real_cost = 82.972 FUGUE_AL3-scwrl costs 55.595 real_cost = 48.418 FUGUE_AL2-scwrl costs 54.397 real_cost = 20.249 FUGUE_AL1-scwrl costs 63.644 real_cost = 4.293 FUGMOD_TS5-scwrl costs 81.121 real_cost = 18.405 FUGMOD_TS4-scwrl costs 65.847 real_cost = 6.773 FUGMOD_TS3-scwrl costs 62.771 real_cost = -10.531 FUGMOD_TS2-scwrl costs 51.507 real_cost = -30.062 FUGMOD_TS1-scwrl costs 67.445 real_cost = -39.235 FPSOLVER-SERVER_TS5-scwrl costs 145.800 real_cost = 237.867 FPSOLVER-SERVER_TS4-scwrl costs 165.411 real_cost = 282.650 FPSOLVER-SERVER_TS3-scwrl costs 147.424 real_cost = 274.714 FPSOLVER-SERVER_TS2-scwrl costs 141.023 real_cost = 262.935 FPSOLVER-SERVER_TS1-scwrl costs 145.054 real_cost = 269.225 FORTE2_AL5-scwrl costs 55.020 real_cost = 55.995 FORTE2_AL4-scwrl costs 66.048 real_cost = 34.764 FORTE2_AL3-scwrl costs 61.575 real_cost = 96.793 FORTE2_AL2-scwrl costs 47.260 real_cost = 23.003 FORTE2_AL1-scwrl costs 83.848 real_cost = 78.738 FORTE1_AL5-scwrl costs 46.186 real_cost = -67.918 FORTE1_AL4-scwrl costs 55.020 real_cost = 55.995 FORTE1_AL3-scwrl costs 47.260 real_cost = 23.003 FORTE1_AL2-scwrl costs 61.575 real_cost = 96.793 FORTE1_AL1-scwrl costs 83.848 real_cost = 78.738 FOLDpro_TS5-scwrl costs 67.120 real_cost = -14.656 FOLDpro_TS4-scwrl costs 62.337 real_cost = 22.189 FOLDpro_TS3-scwrl costs 41.383 real_cost = -122.389 FOLDpro_TS2-scwrl costs 70.341 real_cost = 22.724 FOLDpro_TS1-scwrl costs 59.112 real_cost = -90.991 FAMS_TS5-scwrl costs 63.445 real_cost = -4.214 FAMS_TS4-scwrl costs 64.540 real_cost = -49.908 FAMS_TS3-scwrl costs 63.785 real_cost = -66.025 FAMS_TS2-scwrl costs 61.286 real_cost = -57.447 FAMS_TS1-scwrl costs 79.566 real_cost = -10.183 FAMSD_TS5-scwrl costs 51.246 real_cost = 13.272 FAMSD_TS4-scwrl costs 66.807 real_cost = -37.695 FAMSD_TS3-scwrl costs 52.280 real_cost = -59.461 FAMSD_TS2-scwrl costs 55.984 real_cost = -12.298 FAMSD_TS1-scwrl costs 71.837 real_cost = -7.042 Distill_TS5-scwrl costs 251.168 real_cost = 283.933 Distill_TS4-scwrl costs 247.760 real_cost = 290.824 Distill_TS3-scwrl costs 248.093 real_cost = 282.706 Distill_TS2-scwrl costs 245.248 real_cost = 290.834 Distill_TS1-scwrl costs 250.023 real_cost = 284.705 CaspIta-FOX_TS5-scwrl costs 90.875 real_cost = 143.151 CaspIta-FOX_TS4-scwrl costs 71.337 real_cost = 9.939 CaspIta-FOX_TS3-scwrl costs 66.804 real_cost = 35.781 CaspIta-FOX_TS2-scwrl costs 87.750 real_cost = 91.305 CaspIta-FOX_TS1-scwrl costs 66.232 real_cost = -29.446 CPHmodels_TS1-scwrl costs 77.049 real_cost = 20.335 CIRCLE_TS5-scwrl costs 63.445 real_cost = -4.214 CIRCLE_TS4-scwrl costs 81.903 real_cost = -44.850 CIRCLE_TS3-scwrl costs 64.540 real_cost = -49.908 CIRCLE_TS2-scwrl costs 63.785 real_cost = -66.025 CIRCLE_TS1-scwrl costs 61.286 real_cost = -57.447 Bilab-ENABLE_TS5-scwrl costs 31.345 real_cost = -34.621 Bilab-ENABLE_TS4-scwrl costs 31.378 real_cost = -35.026 Bilab-ENABLE_TS3-scwrl costs 36.904 real_cost = -3.790 Bilab-ENABLE_TS2-scwrl costs 37.671 real_cost = -31.100 Bilab-ENABLE_TS1-scwrl costs 32.238 real_cost = -39.494 BayesHH_TS1-scwrl costs 90.811 real_cost = 153.364 ABIpro_TS5-scwrl costs 63.022 real_cost = 137.881 ABIpro_TS4-scwrl costs 52.466 real_cost = 77.646 ABIpro_TS3-scwrl costs 57.480 real_cost = 137.765 ABIpro_TS2-scwrl costs 52.823 real_cost = 148.376 ABIpro_TS1-scwrl costs 52.634 real_cost = 157.755 3Dpro_TS5-scwrl costs 31.937 real_cost = -96.769 3Dpro_TS4-scwrl costs 45.496 real_cost = -55.504 3Dpro_TS3-scwrl costs 39.856 real_cost = 18.690 3Dpro_TS2-scwrl costs 40.526 real_cost = 36.590 3Dpro_TS1-scwrl costs 65.694 real_cost = -37.422 3D-JIGSAW_TS5-scwrl costs 57.297 real_cost = -51.062 3D-JIGSAW_TS4-scwrl costs 49.018 real_cost = -0.742 3D-JIGSAW_TS3-scwrl costs 59.793 real_cost = -66.463 3D-JIGSAW_TS2-scwrl costs 45.689 real_cost = -27.094 3D-JIGSAW_TS1-scwrl costs 50.048 real_cost = -26.008 3D-JIGSAW_RECOM_TS5-scwrl costs 64.833 real_cost = -35.789 3D-JIGSAW_RECOM_TS4-scwrl costs 62.508 real_cost = 20.052 3D-JIGSAW_RECOM_TS3-scwrl costs 67.149 real_cost = -30.130 3D-JIGSAW_RECOM_TS2-scwrl costs 62.693 real_cost = -31.859 3D-JIGSAW_RECOM_TS1-scwrl costs 70.980 real_cost = -3.113 3D-JIGSAW_POPULUS_TS5-scwrl costs 44.853 real_cost = 5.498 3D-JIGSAW_POPULUS_TS4-scwrl costs 39.300 real_cost = -42.599 3D-JIGSAW_POPULUS_TS3-scwrl costs 45.887 real_cost = -38.025 3D-JIGSAW_POPULUS_TS2-scwrl costs 37.036 real_cost = 25.947 3D-JIGSAW_POPULUS_TS1-scwrl costs 36.852 real_cost = -9.779 dimer//try8MoveCtermOutTake2.renum costs 40.335 real_cost = -50.848 dimer//dimer-2b5aA costs 40.335 real_cost = -50.802 dimer//dimer-1utxA costs 40.335 real_cost = -50.906 try8MoveCtermOutTake2.renum.pdb.gz costs 40.335 real_cost = -50.848 helixDownFromTry6.renum.pdb.gz costs 35.302 real_cost = -113.699 fromTry4breakatS75.renum.pdb.gz costs 39.124 real_cost = -70.166 fromTry1cTermRotAndCap.renum.pdb.gz costs 40.743 real_cost = -71.659 T0311.try9-opt2.repack-nonPC.pdb.gz costs 43.930 real_cost = -102.263 T0311.try9-opt2.pdb.gz costs 43.930 real_cost = -102.765 T0311.try9-opt2.gromacs0.pdb.gz costs 31.230 real_cost = -101.314 T0311.try9-opt1.pdb.gz costs 42.789 real_cost = -107.040 T0311.try9-opt1-scwrl.pdb.gz costs 42.789 real_cost = -103.049 T0311.try8-opt2.repack-nonPC.pdb.gz costs 37.401 real_cost = -113.147 T0311.try8-opt2.pdb.gz costs 37.401 real_cost = -116.164 T0311.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 26.353 real_cost = -103.463 T0311.try8-opt2.gromacs0.pdb.gz costs 26.353 real_cost = -110.423 T0311.try8-opt1.pdb.gz costs 35.139 real_cost = -120.489 T0311.try8-opt1-scwrl.pdb.gz costs 35.139 real_cost = -116.332 T0311.try7-opt2.repack-nonPC.pdb.gz costs 38.733 real_cost = -85.113 T0311.try7-opt2.pdb.gz costs 38.733 real_cost = -90.263 T0311.try7-opt2.gromacs0.pdb.gz costs 30.909 real_cost = -88.928 T0311.try7-opt1.pdb.gz costs 37.692 real_cost = -93.267 T0311.try7-opt1-scwrl.pdb.gz costs 37.692 real_cost = -91.685 T0311.try6-opt2.repack-nonPC.pdb.gz costs 36.316 real_cost = -120.449 T0311.try6-opt2.pdb.gz costs 36.316 real_cost = -124.293 T0311.try6-opt2.gromacs0.pdb.gz costs 29.412 real_cost = -119.172 T0311.try6-opt1.pdb.gz costs 36.316 real_cost = -120.548 T0311.try6-opt1-scwrl.pdb.gz costs 36.316 real_cost = -113.174 T0311.try5-opt2.repack-nonPC.pdb.gz costs 38.593 real_cost = -79.595 T0311.try5-opt2.pdb.gz costs 38.593 real_cost = -83.168 T0311.try5-opt2.gromacs0.pdb.gz costs 30.171 real_cost = -78.802 T0311.try5-opt1.pdb.gz costs 37.431 real_cost = -76.604 T0311.try5-opt1-scwrl.pdb.gz costs 37.431 real_cost = -75.491 T0311.try4-opt2.repack-nonPC.pdb.gz costs 41.107 real_cost = -100.619 T0311.try4-opt2.pdb.gz costs 41.107 real_cost = -100.064 T0311.try4-opt2.gromacs0.pdb.gz costs 31.804 real_cost = -99.627 T0311.try4-opt1.pdb.gz costs 41.107 real_cost = -100.243 T0311.try4-opt1-scwrl.pdb.gz costs 41.107 real_cost = -101.596 T0311.try3-opt2.repack-nonPC.pdb.gz costs 37.407 real_cost = -114.532 T0311.try3-opt2.pdb.gz costs 37.407 real_cost = -119.528 T0311.try3-opt2.gromacs0.pdb.gz costs 29.153 real_cost = -117.630 T0311.try3-opt1.pdb.gz costs 36.868 real_cost = -117.006 T0311.try3-opt1-scwrl.pdb.gz costs 36.868 real_cost = -113.490 T0311.try2-opt2.repack-nonPC.pdb.gz costs 41.107 real_cost = -99.827 T0311.try2-opt2.pdb.gz costs 41.107 real_cost = -100.103 T0311.try2-opt2.gromacs0.pdb.gz costs 30.652 real_cost = -98.158 T0311.try2-opt1.pdb.gz costs 40.484 real_cost = -105.193 T0311.try2-opt1-scwrl.pdb.gz costs 40.484 real_cost = -102.270 T0311.try12-opt2.repack-nonPC.pdb.gz costs 32.226 real_cost = -111.517 T0311.try12-opt2.pdb.gz costs 32.226 real_cost = -113.896 T0311.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 26.282 real_cost = -107.498 T0311.try12-opt2.gromacs0.pdb.gz costs 26.282 real_cost = -108.939 T0311.try12-opt1.pdb.gz costs 32.226 real_cost = -115.729 T0311.try12-opt1-scwrl.pdb.gz costs 32.226 real_cost = -114.464 T0311.try11-opt2.repack-nonPC.pdb.gz costs 32.226 real_cost = -108.264 T0311.try11-opt2.pdb.gz costs 32.226 real_cost = -114.663 T0311.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 26.282 real_cost = -107.745 T0311.try11-opt2.gromacs0.pdb.gz costs 26.282 real_cost = -110.313 T0311.try11-opt1.pdb.gz costs 31.355 real_cost = -113.001 T0311.try11-opt1-scwrl.pdb.gz costs 31.355 real_cost = -112.855 T0311.try10-opt2.repack-nonPC.pdb.gz costs 38.708 real_cost = -113.536 T0311.try10-opt2.pdb.gz costs 38.708 real_cost = -117.631 T0311.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 26.282 real_cost = -109.505 T0311.try10-opt2.gromacs0.pdb.gz costs 26.282 real_cost = -111.372 T0311.try10-opt1.pdb.gz costs 37.401 real_cost = -117.973 T0311.try10-opt1-scwrl.pdb.gz costs 37.401 real_cost = -112.682 T0311.try1-opt2.repack-nonPC.pdb.gz costs 39.195 real_cost = -72.111 T0311.try1-opt2.pdb.gz costs 39.195 real_cost = -75.129 T0311.try1-opt2.gromacs0.pdb.gz costs 31.579 real_cost = -72.846 T0311.try1-opt1.pdb.gz costs 36.394 real_cost = -77.430 T0311.try1-opt1-scwrl.pdb.gz costs 36.394 real_cost = -73.923 ../model5.ts-submitted costs 36.316 real_cost = -124.290 ../model4.ts-submitted costs 43.930 real_cost = -102.799 ../model3.ts-submitted costs 38.593 real_cost = -83.162 ../model2.ts-submitted costs 26.282 real_cost = -107.484 ../model1.ts-submitted costs 32.226 real_cost = -113.764 align5 costs 38.270 real_cost = -2.544 align4 costs 67.554 real_cost = 2.504 align3 costs 59.938 real_cost = -50.202 align2 costs 39.519 real_cost = -91.732 align1 costs 64.656 real_cost = -49.322 T0311.try1-opt2.pdb costs 39.195 real_cost = -75.129 model5-scwrl costs 36.316 real_cost = -124.290 model4-scwrl costs 43.930 real_cost = -102.799 model3-scwrl costs 38.593 real_cost = -83.162 model2-scwrl costs 26.282 real_cost = -107.484 model1-scwrl costs 32.226 real_cost = -113.764 2icpA costs 29.330 real_cost = -880.000 # command:CPU_time= 117.931 sec, elapsed time= 123.551 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/T0311'