make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0327' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0327.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/T0327.} ;\ 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/T0327/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hgcA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182625993 # 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= 6.796 sec, elapsed time= 6.845 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= 6.877 sec, elapsed time= 6.950 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0327 numbered 1 through 102 Created new target T0327 from T0327.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hgcA expands to /projects/compbio/data/pdb/2hgc.pdb.gz 2hgcA: Read 78 residues and 636 atoms. # WARNING: incomplete conformation T0327 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= 9.794 sec, elapsed time= 9.968 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 56 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -55.449 # GDT_score(maxd=8.000,maxw=2.900)= -54.754 # GDT_score(maxd=8.000,maxw=3.200)= -52.020 # GDT_score(maxd=8.000,maxw=3.500)= -49.460 # GDT_score(maxd=10.000,maxw=3.800)= -53.260 # GDT_score(maxd=10.000,maxw=4.000)= -51.645 # GDT_score(maxd=10.000,maxw=4.200)= -50.017 # GDT_score(maxd=12.000,maxw=4.300)= -54.133 # GDT_score(maxd=12.000,maxw=4.500)= -52.476 # GDT_score(maxd=12.000,maxw=4.700)= -50.856 # GDT_score(maxd=14.000,maxw=5.200)= -50.796 # GDT_score(maxd=14.000,maxw=5.500)= -48.655 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0327.model1-real.pdb for output Error: Couldn't open file T0327.model1-real.pdb for output superimposing iter= 0 total_weight= 948 rmsd (weighted)= 6.44248 (unweighted)= 28.5096 superimposing iter= 1 total_weight= 2462.32 rmsd (weighted)= 2.85577 (unweighted)= 28.3965 superimposing iter= 2 total_weight= 1406.45 rmsd (weighted)= 1.84934 (unweighted)= 28.5768 superimposing iter= 3 total_weight= 936.792 rmsd (weighted)= 1.49236 (unweighted)= 28.7502 superimposing iter= 4 total_weight= 793.33 rmsd (weighted)= 1.31499 (unweighted)= 28.8642 superimposing iter= 5 total_weight= 727.896 rmsd (weighted)= 1.21281 (unweighted)= 28.9401 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 -8.708 -3.132 -5.445 1.00 0.00 ATOM 2 CA MET A 1 -8.634 -1.992 -4.512 1.00 0.00 ATOM 3 CB MET A 1 -8.814 -0.677 -5.258 1.00 0.00 ATOM 4 CG MET A 1 -7.746 -0.490 -6.327 1.00 0.00 ATOM 5 SD MET A 1 -7.940 1.078 -7.238 1.00 0.00 ATOM 6 CE MET A 1 -7.224 2.139 -5.999 1.00 0.00 ATOM 7 O MET A 1 -10.771 -2.725 -3.801 1.00 0.00 ATOM 8 C MET A 1 -9.771 -2.088 -3.482 1.00 0.00 ATOM 9 N ASN A 2 -9.469 -1.731 -2.243 1.00 0.00 ATOM 10 CA ASN A 2 -10.471 -1.749 -1.155 1.00 0.00 ATOM 11 CB ASN A 2 -9.760 -1.857 0.188 1.00 0.00 ATOM 12 CG ASN A 2 -8.955 -3.150 0.252 1.00 0.00 ATOM 13 ND2 ASN A 2 -7.731 -3.047 0.720 1.00 0.00 ATOM 14 OD1 ASN A 2 -9.414 -4.210 -0.115 1.00 0.00 ATOM 15 O ASN A 2 -11.036 0.554 -1.584 1.00 0.00 ATOM 16 C ASN A 2 -11.380 -0.519 -1.087 1.00 0.00 ATOM 17 N LYS A 3 -12.577 -0.691 -0.471 1.00 0.00 ATOM 18 CA LYS A 3 -13.543 0.394 -0.373 1.00 0.00 ATOM 19 CB LYS A 3 -14.982 -0.312 -0.206 1.00 0.00 ATOM 20 CG LYS A 3 -15.485 -1.130 -1.386 1.00 0.00 ATOM 21 CD LYS A 3 -16.730 -1.932 -0.929 1.00 0.00 ATOM 22 CE LYS A 3 -17.393 -2.632 -2.087 1.00 0.00 ATOM 23 NZ LYS A 3 -18.692 -3.252 -1.730 1.00 0.00 ATOM 24 O LYS A 3 -13.605 2.626 0.457 1.00 0.00 ATOM 25 C LYS A 3 -13.235 1.471 0.655 1.00 0.00 ATOM 26 N ASP A 4 -12.455 1.094 1.660 1.00 0.00 ATOM 27 CA ASP A 4 -11.995 2.031 2.698 1.00 0.00 ATOM 28 CB ASP A 4 -11.086 1.318 3.709 1.00 0.00 ATOM 29 CG ASP A 4 -11.810 0.270 4.569 1.00 0.00 ATOM 30 OD1 ASP A 4 -13.052 0.343 4.721 1.00 0.00 ATOM 31 OD2 ASP A 4 -11.065 -0.551 5.152 1.00 0.00 ATOM 32 O ASP A 4 -10.345 3.014 1.250 1.00 0.00 ATOM 33 C ASP A 4 -11.254 3.210 2.056 1.00 0.00 ATOM 34 N LYS A 5 -11.645 4.442 2.390 1.00 0.00 ATOM 35 CA LYS A 5 -11.046 5.651 1.833 1.00 0.00 ATOM 36 CB LYS A 5 -11.517 6.892 2.611 1.00 0.00 ATOM 37 CG LYS A 5 -10.894 7.059 3.982 1.00 0.00 ATOM 38 CD LYS A 5 -11.564 8.182 4.763 1.00 0.00 ATOM 39 CE LYS A 5 -10.866 8.424 6.094 1.00 0.00 ATOM 40 NZ LYS A 5 -10.726 7.186 6.904 1.00 0.00 ATOM 41 O LYS A 5 -8.857 5.900 0.928 1.00 0.00 ATOM 42 C LYS A 5 -9.532 5.667 1.943 1.00 0.00 ATOM 43 N LEU A 6 -8.968 5.447 3.141 1.00 0.00 ATOM 44 CA LEU A 6 -7.511 5.530 3.300 1.00 0.00 ATOM 45 CB LEU A 6 -7.070 5.288 4.698 1.00 0.00 ATOM 46 CG LEU A 6 -7.437 6.435 5.641 1.00 0.00 ATOM 47 CD1 LEU A 6 -7.111 6.059 7.073 1.00 0.00 ATOM 48 CD2 LEU A 6 -6.682 7.697 5.234 1.00 0.00 ATOM 49 O LEU A 6 -5.871 4.753 1.711 1.00 0.00 ATOM 50 C LEU A 6 -6.797 4.451 2.467 1.00 0.00 ATOM 51 N ARG A 7 -7.232 3.193 2.586 1.00 0.00 ATOM 52 CA ARG A 7 -6.631 2.106 1.825 1.00 0.00 ATOM 53 CB ARG A 7 -7.259 0.768 2.223 1.00 0.00 ATOM 54 CG ARG A 7 -7.147 0.409 3.685 1.00 0.00 ATOM 55 CD ARG A 7 -7.495 -1.090 3.906 1.00 0.00 ATOM 56 NE ARG A 7 -8.145 -1.174 5.243 1.00 0.00 ATOM 57 CZ ARG A 7 -7.404 -1.332 6.343 1.00 0.00 ATOM 58 NH1 ARG A 7 -6.088 -1.449 6.222 1.00 0.00 ATOM 59 NH2 ARG A 7 -8.004 -1.382 7.528 1.00 0.00 ATOM 60 O ARG A 7 -6.044 2.025 -0.514 1.00 0.00 ATOM 61 C ARG A 7 -6.892 2.288 0.336 1.00 0.00 ATOM 62 N TYR A 8 -8.083 2.884 -0.037 1.00 0.00 ATOM 63 CA TYR A 8 -8.319 3.140 -1.476 1.00 0.00 ATOM 64 CB TYR A 8 -9.480 4.368 -1.553 1.00 0.00 ATOM 65 CG TYR A 8 -10.582 4.193 -2.561 1.00 0.00 ATOM 66 CD1 TYR A 8 -11.651 3.338 -2.271 1.00 0.00 ATOM 67 CD2 TYR A 8 -10.519 4.774 -3.826 1.00 0.00 ATOM 68 CE1 TYR A 8 -12.629 3.079 -3.200 1.00 0.00 ATOM 69 CE2 TYR A 8 -11.499 4.495 -4.795 1.00 0.00 ATOM 70 CZ TYR A 8 -12.544 3.621 -4.472 1.00 0.00 ATOM 71 OH TYR A 8 -13.537 3.343 -5.423 1.00 0.00 ATOM 72 O TYR A 8 -6.617 3.747 -3.048 1.00 0.00 ATOM 73 C TYR A 8 -7.234 4.044 -2.032 1.00 0.00 ATOM 74 N ALA A 9 -6.991 5.151 -1.313 1.00 0.00 ATOM 75 CA ALA A 9 -5.986 6.133 -1.719 1.00 0.00 ATOM 76 CB ALA A 9 -5.999 7.322 -0.725 1.00 0.00 ATOM 77 O ALA A 9 -3.798 5.787 -2.693 1.00 0.00 ATOM 78 C ALA A 9 -4.579 5.522 -1.741 1.00 0.00 ATOM 79 N ILE A 10 -4.259 4.709 -0.748 1.00 0.00 ATOM 80 CA ILE A 10 -2.955 4.073 -0.677 1.00 0.00 ATOM 81 CB ILE A 10 -2.842 3.349 0.671 1.00 0.00 ATOM 82 CG1 ILE A 10 -3.028 4.310 1.847 1.00 0.00 ATOM 83 CG2 ILE A 10 -1.475 2.708 0.770 1.00 0.00 ATOM 84 CD1 ILE A 10 -2.808 3.809 3.280 1.00 0.00 ATOM 85 O ILE A 10 -1.613 2.970 -2.349 1.00 0.00 ATOM 86 C ILE A 10 -2.714 3.073 -1.821 1.00 0.00 ATOM 87 N LEU A 11 -3.783 2.402 -2.242 1.00 0.00 ATOM 88 CA LEU A 11 -3.705 1.423 -3.340 1.00 0.00 ATOM 89 CB LEU A 11 -4.989 0.607 -3.458 1.00 0.00 ATOM 90 CG LEU A 11 -5.003 -0.467 -2.380 1.00 0.00 ATOM 91 CD1 LEU A 11 -6.395 -1.064 -2.239 1.00 0.00 ATOM 92 CD2 LEU A 11 -4.041 -1.583 -2.757 1.00 0.00 ATOM 93 O LEU A 11 -2.644 1.589 -5.473 1.00 0.00 ATOM 94 C LEU A 11 -3.413 2.103 -4.677 1.00 0.00 ATOM 95 N LYS A 12 -3.979 3.296 -4.857 1.00 0.00 ATOM 96 CA LYS A 12 -3.692 4.119 -6.032 1.00 0.00 ATOM 97 CB LYS A 12 -4.775 5.189 -6.178 1.00 0.00 ATOM 98 CG LYS A 12 -4.307 6.649 -6.143 1.00 0.00 ATOM 99 CD LYS A 12 -5.401 7.580 -6.646 1.00 0.00 ATOM 100 CE LYS A 12 -5.248 7.948 -8.113 1.00 0.00 ATOM 101 NZ LYS A 12 -6.072 9.127 -8.442 1.00 0.00 ATOM 102 O LYS A 12 -1.496 4.391 -6.966 1.00 0.00 ATOM 103 C LYS A 12 -2.230 4.570 -5.998 1.00 0.00 ATOM 104 N GLU A 13 -1.767 5.115 -4.846 1.00 0.00 ATOM 105 CA GLU A 13 -0.368 5.525 -4.687 1.00 0.00 ATOM 106 CB GLU A 13 -0.018 6.017 -3.324 1.00 0.00 ATOM 107 CG GLU A 13 1.460 6.310 -3.130 1.00 0.00 ATOM 108 CD GLU A 13 1.812 6.895 -1.766 1.00 0.00 ATOM 109 OE1 GLU A 13 1.277 6.425 -0.732 1.00 0.00 ATOM 110 OE2 GLU A 13 2.625 7.834 -1.722 1.00 0.00 ATOM 111 O GLU A 13 1.439 4.384 -5.808 1.00 0.00 ATOM 112 C GLU A 13 0.618 4.360 -4.903 1.00 0.00 ATOM 113 N ILE A 14 0.312 3.212 -4.316 1.00 0.00 ATOM 114 CA ILE A 14 1.214 2.050 -4.416 1.00 0.00 ATOM 115 CB ILE A 14 1.100 1.185 -3.142 1.00 0.00 ATOM 116 CG1 ILE A 14 1.267 1.991 -1.850 1.00 0.00 ATOM 117 CG2 ILE A 14 2.201 0.128 -3.070 1.00 0.00 ATOM 118 CD1 ILE A 14 2.643 2.629 -1.571 1.00 0.00 ATOM 119 O ILE A 14 1.843 0.504 -6.134 1.00 0.00 ATOM 120 C ILE A 14 1.000 1.311 -5.737 1.00 0.00 ATOM 121 N PHE A 15 -0.075 1.597 -6.559 1.00 0.00 ATOM 122 CA PHE A 15 -0.315 0.921 -7.829 1.00 0.00 ATOM 123 CB PHE A 15 -1.549 1.630 -8.390 1.00 0.00 ATOM 124 CG PHE A 15 -2.306 0.856 -9.466 1.00 0.00 ATOM 125 CD1 PHE A 15 -3.383 0.140 -8.977 1.00 0.00 ATOM 126 CD2 PHE A 15 -2.058 0.925 -10.835 1.00 0.00 ATOM 127 CE1 PHE A 15 -4.229 -0.504 -9.852 1.00 0.00 ATOM 128 CE2 PHE A 15 -2.927 0.276 -11.708 1.00 0.00 ATOM 129 CZ PHE A 15 -4.009 -0.432 -11.208 1.00 0.00 ATOM 130 O PHE A 15 1.272 0.107 -9.446 1.00 0.00 ATOM 131 C PHE A 15 0.781 1.089 -8.883 1.00 0.00 ATOM 132 N GLU A 16 1.161 2.342 -9.091 1.00 0.00 ATOM 133 CA GLU A 16 2.207 2.706 -10.061 1.00 0.00 ATOM 134 CB GLU A 16 2.237 4.226 -10.210 1.00 0.00 ATOM 135 CG GLU A 16 3.071 4.748 -11.389 1.00 0.00 ATOM 136 CD GLU A 16 3.018 6.284 -11.528 1.00 0.00 ATOM 137 OE1 GLU A 16 3.649 6.807 -12.474 1.00 0.00 ATOM 138 OE2 GLU A 16 2.476 6.933 -10.602 1.00 0.00 ATOM 139 O GLU A 16 4.463 1.952 -10.467 1.00 0.00 ATOM 140 C GLU A 16 3.535 2.039 -9.663 1.00 0.00 ATOM 141 N GLY A 17 3.641 1.554 -8.364 1.00 0.00 ATOM 142 CA GLY A 17 4.857 0.909 -7.889 1.00 0.00 ATOM 143 O GLY A 17 5.308 -0.033 -5.751 1.00 0.00 ATOM 144 C GLY A 17 5.374 0.975 -6.443 1.00 0.00 ATOM 145 N ASN A 18 6.207 1.980 -6.164 1.00 0.00 ATOM 146 CA ASN A 18 6.828 2.132 -4.824 1.00 0.00 ATOM 147 CB ASN A 18 8.223 1.516 -4.767 1.00 0.00 ATOM 148 CG ASN A 18 9.175 2.204 -5.736 1.00 0.00 ATOM 149 ND2 ASN A 18 9.369 1.573 -6.849 1.00 0.00 ATOM 150 OD1 ASN A 18 9.692 3.297 -5.543 1.00 0.00 ATOM 151 O ASN A 18 7.257 4.422 -5.231 1.00 0.00 ATOM 152 C ASN A 18 6.925 3.603 -4.388 1.00 0.00 ATOM 153 N THR A 19 7.025 3.817 -3.078 1.00 0.00 ATOM 154 CA THR A 19 7.202 5.157 -2.486 1.00 0.00 ATOM 155 CB THR A 19 5.871 5.945 -2.482 1.00 0.00 ATOM 156 CG2 THR A 19 4.806 5.339 -1.572 1.00 0.00 ATOM 157 OG1 THR A 19 6.133 7.298 -2.096 1.00 0.00 ATOM 158 O THR A 19 7.534 4.012 -0.400 1.00 0.00 ATOM 159 C THR A 19 7.768 5.043 -1.053 1.00 0.00 ATOM 160 N PRO A 20 8.544 6.020 -0.575 1.00 0.00 ATOM 161 CA PRO A 20 9.019 6.045 0.821 1.00 0.00 ATOM 162 CB PRO A 20 9.807 7.347 0.963 1.00 0.00 ATOM 163 CG PRO A 20 10.292 7.636 -0.452 1.00 0.00 ATOM 164 CD PRO A 20 9.152 7.124 -1.322 1.00 0.00 ATOM 165 O PRO A 20 6.765 6.653 1.447 1.00 0.00 ATOM 166 C PRO A 20 7.802 6.069 1.742 1.00 0.00 ATOM 167 N LEU A 21 7.982 5.415 2.879 1.00 0.00 ATOM 168 CA LEU A 21 7.012 5.365 3.989 1.00 0.00 ATOM 169 CB LEU A 21 7.727 4.678 5.163 1.00 0.00 ATOM 170 CG LEU A 21 8.528 5.636 6.055 1.00 0.00 ATOM 171 CD1 LEU A 21 7.816 5.842 7.390 1.00 0.00 ATOM 172 CD2 LEU A 21 10.018 5.304 6.180 1.00 0.00 ATOM 173 O LEU A 21 5.493 7.020 4.841 1.00 0.00 ATOM 174 C LEU A 21 6.638 6.769 4.457 1.00 0.00 ATOM 175 N SER A 22 7.576 7.717 4.382 1.00 0.00 ATOM 176 CA SER A 22 7.343 9.095 4.806 1.00 0.00 ATOM 177 CB SER A 22 9.166 9.380 4.842 1.00 0.00 ATOM 178 OG SER A 22 9.302 10.137 3.650 1.00 0.00 ATOM 179 O SER A 22 5.934 10.960 4.366 1.00 0.00 ATOM 180 C SER A 22 6.402 9.915 3.926 1.00 0.00 ATOM 181 N GLU A 23 6.123 9.453 2.718 1.00 0.00 ATOM 182 CA GLU A 23 5.268 10.281 1.837 1.00 0.00 ATOM 183 CB GLU A 23 5.580 9.784 0.392 1.00 0.00 ATOM 184 CG GLU A 23 7.042 9.831 -0.107 1.00 0.00 ATOM 185 CD GLU A 23 7.802 11.166 -0.048 1.00 0.00 ATOM 186 OE1 GLU A 23 7.190 12.208 -0.388 1.00 0.00 ATOM 187 OE2 GLU A 23 8.974 11.177 0.433 1.00 0.00 ATOM 188 O GLU A 23 3.350 9.829 3.212 1.00 0.00 ATOM 189 C GLU A 23 3.970 10.653 2.540 1.00 0.00 ATOM 190 N ASN A 24 3.508 11.954 2.395 1.00 0.00 ATOM 191 CA ASN A 24 2.273 12.440 2.982 1.00 0.00 ATOM 192 CB ASN A 24 2.530 13.626 3.922 1.00 0.00 ATOM 193 CG ASN A 24 3.398 13.243 5.113 1.00 0.00 ATOM 194 ND2 ASN A 24 4.441 14.022 5.356 1.00 0.00 ATOM 195 OD1 ASN A 24 3.119 12.270 5.812 1.00 0.00 ATOM 196 O ASN A 24 0.398 13.702 2.128 1.00 0.00 ATOM 197 C ASN A 24 1.256 12.840 1.913 1.00 0.00 ATOM 198 N ASP A 25 1.258 12.208 0.752 1.00 0.00 ATOM 199 CA ASP A 25 0.348 12.469 -0.358 1.00 0.00 ATOM 200 CB ASP A 25 1.009 11.931 -1.709 1.00 0.00 ATOM 201 CG ASP A 25 2.339 12.613 -2.089 1.00 0.00 ATOM 202 OD1 ASP A 25 2.574 13.795 -1.711 1.00 0.00 ATOM 203 OD2 ASP A 25 3.105 11.959 -2.824 1.00 0.00 ATOM 204 O ASP A 25 -2.029 12.489 -0.712 1.00 0.00 ATOM 205 C ASP A 25 -1.067 11.941 -0.181 1.00 0.00 ATOM 206 N ILE A 26 -1.181 10.859 0.584 1.00 0.00 ATOM 207 CA ILE A 26 -2.508 10.285 0.898 1.00 0.00 ATOM 208 CB ILE A 26 -2.428 8.760 1.025 1.00 0.00 ATOM 209 CG1 ILE A 26 -1.346 8.430 2.062 1.00 0.00 ATOM 210 CG2 ILE A 26 -2.188 8.126 -0.351 1.00 0.00 ATOM 211 CD1 ILE A 26 -1.322 6.969 2.444 1.00 0.00 ATOM 212 O ILE A 26 -4.335 10.666 2.417 1.00 0.00 ATOM 213 C ILE A 26 -3.170 10.919 2.135 1.00 0.00 ATOM 214 N GLY A 27 -2.365 11.663 2.893 1.00 0.00 ATOM 215 CA GLY A 27 -2.825 12.415 4.075 1.00 0.00 ATOM 216 O GLY A 27 -3.830 11.963 6.184 1.00 0.00 ATOM 217 C GLY A 27 -3.060 11.566 5.310 1.00 0.00 ATOM 218 N VAL A 28 -2.402 10.428 5.360 1.00 0.00 ATOM 219 CA VAL A 28 -2.550 9.558 6.527 1.00 0.00 ATOM 220 CB VAL A 28 -2.385 8.102 6.083 1.00 0.00 ATOM 221 CG1 VAL A 28 -2.456 7.170 7.278 1.00 0.00 ATOM 222 CG2 VAL A 28 -3.518 7.766 5.118 1.00 0.00 ATOM 223 O VAL A 28 -0.341 10.110 7.332 1.00 0.00 ATOM 224 C VAL A 28 -1.502 9.772 7.618 1.00 0.00 ATOM 225 N THR A 29 -1.889 9.567 8.885 1.00 0.00 ATOM 226 CA THR A 29 -0.943 9.583 9.978 1.00 0.00 ATOM 227 CB THR A 29 -1.574 9.546 11.372 1.00 0.00 ATOM 228 CG2 THR A 29 -2.561 10.712 11.550 1.00 0.00 ATOM 229 OG1 THR A 29 -2.235 8.303 11.524 1.00 0.00 ATOM 230 O THR A 29 -0.219 7.452 9.135 1.00 0.00 ATOM 231 C THR A 29 0.065 8.455 9.793 1.00 0.00 ATOM 232 N GLU A 30 1.264 8.587 10.360 1.00 0.00 ATOM 233 CA GLU A 30 2.303 7.572 10.277 1.00 0.00 ATOM 234 CB GLU A 30 3.622 8.053 10.931 1.00 0.00 ATOM 235 CG GLU A 30 4.311 9.257 10.188 1.00 0.00 ATOM 236 CD GLU A 30 5.404 9.904 10.990 1.00 0.00 ATOM 237 OE1 GLU A 30 5.296 10.016 12.245 1.00 0.00 ATOM 238 OE2 GLU A 30 6.357 10.383 10.308 1.00 0.00 ATOM 239 O GLU A 30 2.088 5.183 10.451 1.00 0.00 ATOM 240 C GLU A 30 1.812 6.287 10.928 1.00 0.00 ATOM 241 N ASP A 31 1.030 6.422 12.024 1.00 0.00 ATOM 242 CA ASP A 31 0.483 5.309 12.788 1.00 0.00 ATOM 243 CB ASP A 31 -0.227 5.797 14.057 1.00 0.00 ATOM 244 CG ASP A 31 0.687 6.409 15.122 1.00 0.00 ATOM 245 OD1 ASP A 31 1.894 6.166 15.062 1.00 0.00 ATOM 246 OD2 ASP A 31 0.175 7.224 15.909 1.00 0.00 ATOM 247 O ASP A 31 -0.361 3.294 11.761 1.00 0.00 ATOM 248 C ASP A 31 -0.506 4.494 11.950 1.00 0.00 ATOM 249 N GLN A 32 -1.498 5.197 11.388 1.00 0.00 ATOM 250 CA GLN A 32 -2.496 4.515 10.545 1.00 0.00 ATOM 251 CB GLN A 32 -3.591 5.477 10.135 1.00 0.00 ATOM 252 CG GLN A 32 -4.489 5.843 11.319 1.00 0.00 ATOM 253 CD GLN A 32 -5.335 7.043 10.943 1.00 0.00 ATOM 254 OE1 GLN A 32 -4.912 7.926 10.216 1.00 0.00 ATOM 255 NE2 GLN A 32 -6.515 7.125 11.528 1.00 0.00 ATOM 256 O GLN A 32 -2.212 2.783 8.909 1.00 0.00 ATOM 257 C GLN A 32 -1.852 3.886 9.310 1.00 0.00 ATOM 258 N PHE A 33 -0.874 4.607 8.681 1.00 0.00 ATOM 259 CA PHE A 33 -0.174 4.108 7.495 1.00 0.00 ATOM 260 CB PHE A 33 0.986 5.102 7.300 1.00 0.00 ATOM 261 CG PHE A 33 1.404 5.356 5.857 1.00 0.00 ATOM 262 CD1 PHE A 33 0.910 6.508 5.281 1.00 0.00 ATOM 263 CD2 PHE A 33 2.349 4.579 5.175 1.00 0.00 ATOM 264 CE1 PHE A 33 1.353 6.908 4.031 1.00 0.00 ATOM 265 CE2 PHE A 33 2.762 4.973 3.904 1.00 0.00 ATOM 266 CZ PHE A 33 2.257 6.131 3.327 1.00 0.00 ATOM 267 O PHE A 33 0.550 1.857 7.070 1.00 0.00 ATOM 268 C PHE A 33 0.547 2.812 7.846 1.00 0.00 ATOM 269 N ASP A 34 1.157 2.763 9.043 1.00 0.00 ATOM 270 CA ASP A 34 1.898 1.592 9.489 1.00 0.00 ATOM 271 CB ASP A 34 2.675 1.975 10.755 1.00 0.00 ATOM 272 CG ASP A 34 3.829 2.939 10.527 1.00 0.00 ATOM 273 OD1 ASP A 34 4.281 3.111 9.363 1.00 0.00 ATOM 274 OD2 ASP A 34 4.360 3.384 11.571 1.00 0.00 ATOM 275 O ASP A 34 1.329 -0.716 9.237 1.00 0.00 ATOM 276 C ASP A 34 0.993 0.384 9.670 1.00 0.00 ATOM 277 N ASP A 35 -0.163 0.593 10.320 1.00 0.00 ATOM 278 CA ASP A 35 -1.094 -0.506 10.552 1.00 0.00 ATOM 279 CB ASP A 35 -2.247 -0.037 11.440 1.00 0.00 ATOM 280 CG ASP A 35 -1.851 0.230 12.900 1.00 0.00 ATOM 281 OD1 ASP A 35 -0.779 -0.270 13.317 1.00 0.00 ATOM 282 OD2 ASP A 35 -2.728 0.746 13.636 1.00 0.00 ATOM 283 O ASP A 35 -1.649 -2.323 9.043 1.00 0.00 ATOM 284 C ASP A 35 -1.594 -1.075 9.224 1.00 0.00 ATOM 285 N ALA A 36 -1.996 -0.207 8.269 1.00 0.00 ATOM 286 CA ALA A 36 -2.521 -0.668 7.005 1.00 0.00 ATOM 287 CB ALA A 36 -3.021 0.542 6.209 1.00 0.00 ATOM 288 O ALA A 36 -1.744 -2.426 5.573 1.00 0.00 ATOM 289 C ALA A 36 -1.460 -1.405 6.195 1.00 0.00 ATOM 290 N VAL A 37 -0.209 -0.903 6.200 1.00 0.00 ATOM 291 CA VAL A 37 0.875 -1.535 5.457 1.00 0.00 ATOM 292 CB VAL A 37 2.176 -0.722 5.455 1.00 0.00 ATOM 293 CG1 VAL A 37 1.989 0.584 4.684 1.00 0.00 ATOM 294 CG2 VAL A 37 2.732 -0.448 6.858 1.00 0.00 ATOM 295 O VAL A 37 1.398 -3.867 5.206 1.00 0.00 ATOM 296 C VAL A 37 1.150 -2.940 5.982 1.00 0.00 ATOM 297 N ASN A 38 1.103 -3.098 7.314 1.00 0.00 ATOM 298 CA ASN A 38 1.340 -4.399 7.919 1.00 0.00 ATOM 299 CB ASN A 38 1.292 -4.178 9.425 1.00 0.00 ATOM 300 CG ASN A 38 1.691 -5.472 10.100 1.00 0.00 ATOM 301 ND2 ASN A 38 2.938 -5.861 10.015 1.00 0.00 ATOM 302 OD1 ASN A 38 0.845 -6.223 10.555 1.00 0.00 ATOM 303 O ASN A 38 0.579 -6.542 7.128 1.00 0.00 ATOM 304 C ASN A 38 0.261 -5.380 7.467 1.00 0.00 ATOM 305 N PHE A 39 -0.991 -4.962 7.443 1.00 0.00 ATOM 306 CA PHE A 39 -2.088 -5.812 6.966 1.00 0.00 ATOM 307 CB PHE A 39 -3.430 -5.086 7.199 1.00 0.00 ATOM 308 CG PHE A 39 -4.619 -5.791 6.602 1.00 0.00 ATOM 309 CD1 PHE A 39 -5.116 -6.940 7.207 1.00 0.00 ATOM 310 CD2 PHE A 39 -5.192 -5.321 5.428 1.00 0.00 ATOM 311 CE1 PHE A 39 -6.213 -7.626 6.638 1.00 0.00 ATOM 312 CE2 PHE A 39 -6.277 -5.986 4.866 1.00 0.00 ATOM 313 CZ PHE A 39 -6.791 -7.105 5.487 1.00 0.00 ATOM 314 O PHE A 39 -1.953 -7.415 5.163 1.00 0.00 ATOM 315 C PHE A 39 -1.858 -6.234 5.508 1.00 0.00 ATOM 316 N LEU A 40 -1.464 -5.258 4.691 1.00 0.00 ATOM 317 CA LEU A 40 -1.203 -5.493 3.259 1.00 0.00 ATOM 318 CB LEU A 40 -0.898 -4.184 2.554 1.00 0.00 ATOM 319 CG LEU A 40 -2.028 -3.177 2.574 1.00 0.00 ATOM 320 CD1 LEU A 40 -1.622 -1.925 1.834 1.00 0.00 ATOM 321 CD2 LEU A 40 -3.160 -3.757 1.777 1.00 0.00 ATOM 322 O LEU A 40 -0.153 -7.390 2.233 1.00 0.00 ATOM 323 C LEU A 40 -0.043 -6.442 3.016 1.00 0.00 ATOM 324 N LYS A 41 1.043 -6.213 3.740 1.00 0.00 ATOM 325 CA LYS A 41 2.232 -7.043 3.619 1.00 0.00 ATOM 326 CB LYS A 41 3.382 -6.381 4.369 1.00 0.00 ATOM 327 CG LYS A 41 4.591 -7.270 4.194 1.00 0.00 ATOM 328 CD LYS A 41 5.744 -6.364 3.917 1.00 0.00 ATOM 329 CE LYS A 41 6.924 -7.233 4.158 1.00 0.00 ATOM 330 NZ LYS A 41 8.042 -6.413 4.615 1.00 0.00 ATOM 331 O LYS A 41 2.512 -9.422 3.549 1.00 0.00 ATOM 332 C LYS A 41 2.003 -8.460 4.127 1.00 0.00 ATOM 333 N ARG A 42 1.216 -8.601 5.255 1.00 0.00 ATOM 334 CA ARG A 42 0.943 -9.919 5.814 1.00 0.00 ATOM 335 CB ARG A 42 -0.061 -9.650 6.937 1.00 0.00 ATOM 336 CG ARG A 42 -0.246 -10.853 7.871 1.00 0.00 ATOM 337 CD ARG A 42 -1.270 -10.528 8.958 1.00 0.00 ATOM 338 NE ARG A 42 -0.916 -9.362 9.784 1.00 0.00 ATOM 339 CZ ARG A 42 -1.760 -8.627 10.519 1.00 0.00 ATOM 340 NH1 ARG A 42 -3.073 -8.831 10.600 1.00 0.00 ATOM 341 NH2 ARG A 42 -1.308 -7.686 11.299 1.00 0.00 ATOM 342 O ARG A 42 0.438 -12.022 4.783 1.00 0.00 ATOM 343 C ARG A 42 0.273 -10.803 4.774 1.00 0.00 ATOM 344 N GLU A 43 -0.486 -10.160 3.891 1.00 0.00 ATOM 345 CA GLU A 43 -1.218 -10.883 2.861 1.00 0.00 ATOM 346 CB GLU A 43 -2.801 -10.619 3.189 1.00 0.00 ATOM 347 CG GLU A 43 -3.319 -11.131 4.527 1.00 0.00 ATOM 348 CD GLU A 43 -4.765 -11.586 4.438 1.00 0.00 ATOM 349 OE1 GLU A 43 -5.001 -12.809 4.267 1.00 0.00 ATOM 350 OE2 GLU A 43 -5.663 -10.717 4.526 1.00 0.00 ATOM 351 O GLU A 43 -0.977 -11.553 0.573 1.00 0.00 ATOM 352 C GLU A 43 -0.481 -10.947 1.527 1.00 0.00 ATOM 353 N GLY A 44 0.716 -10.311 1.423 1.00 0.00 ATOM 354 CA GLY A 44 1.485 -10.340 0.190 1.00 0.00 ATOM 355 O GLY A 44 1.634 -9.400 -2.002 1.00 0.00 ATOM 356 C GLY A 44 1.120 -9.332 -0.885 1.00 0.00 ATOM 357 N TYR A 45 0.295 -8.364 -0.526 1.00 0.00 ATOM 358 CA TYR A 45 -0.138 -7.338 -1.472 1.00 0.00 ATOM 359 CB TYR A 45 -1.381 -6.708 -0.854 1.00 0.00 ATOM 360 CG TYR A 45 -2.608 -7.600 -0.898 1.00 0.00 ATOM 361 CD1 TYR A 45 -3.116 -7.942 0.331 1.00 0.00 ATOM 362 CD2 TYR A 45 -3.168 -8.107 -2.069 1.00 0.00 ATOM 363 CE1 TYR A 45 -4.182 -8.808 0.432 1.00 0.00 ATOM 364 CE2 TYR A 45 -4.248 -8.973 -1.979 1.00 0.00 ATOM 365 CZ TYR A 45 -4.751 -9.323 -0.730 1.00 0.00 ATOM 366 OH TYR A 45 -5.976 -9.887 -0.704 1.00 0.00 ATOM 367 O TYR A 45 1.276 -5.938 -2.868 1.00 0.00 ATOM 368 C TYR A 45 0.966 -6.293 -1.731 1.00 0.00 ATOM 369 N ILE A 46 1.605 -5.866 -0.655 1.00 0.00 ATOM 370 CA ILE A 46 2.753 -4.957 -0.764 1.00 0.00 ATOM 371 CB ILE A 46 2.506 -3.564 -0.160 1.00 0.00 ATOM 372 CG1 ILE A 46 2.167 -3.707 1.327 1.00 0.00 ATOM 373 CG2 ILE A 46 1.448 -2.801 -0.960 1.00 0.00 ATOM 374 CD1 ILE A 46 2.073 -2.432 2.138 1.00 0.00 ATOM 375 O ILE A 46 3.759 -6.373 0.942 1.00 0.00 ATOM 376 C ILE A 46 3.918 -5.586 -0.002 1.00 0.00 ATOM 377 N ILE A 47 5.077 -5.041 -0.310 1.00 0.00 ATOM 378 CA ILE A 47 6.334 -5.366 0.381 1.00 0.00 ATOM 379 CB ILE A 47 7.327 -6.048 -0.565 1.00 0.00 ATOM 380 CG1 ILE A 47 7.735 -5.134 -1.721 1.00 0.00 ATOM 381 CG2 ILE A 47 6.705 -7.317 -1.145 1.00 0.00 ATOM 382 CD1 ILE A 47 8.881 -5.653 -2.591 1.00 0.00 ATOM 383 O ILE A 47 6.577 -2.963 0.506 1.00 0.00 ATOM 384 C ILE A 47 6.905 -4.071 0.952 1.00 0.00 ATOM 385 N GLY A 48 7.799 -4.264 1.897 1.00 0.00 ATOM 386 CA GLY A 48 8.468 -3.110 2.514 1.00 0.00 ATOM 387 O GLY A 48 10.212 -4.525 3.356 1.00 0.00 ATOM 388 C GLY A 48 9.913 -3.436 2.825 1.00 0.00 ATOM 389 N VAL A 49 10.770 -2.464 2.549 1.00 0.00 ATOM 390 CA VAL A 49 12.192 -2.642 2.805 1.00 0.00 ATOM 391 CB VAL A 49 12.848 -3.433 1.652 1.00 0.00 ATOM 392 CG1 VAL A 49 12.624 -2.819 0.269 1.00 0.00 ATOM 393 CG2 VAL A 49 14.321 -3.743 1.939 1.00 0.00 ATOM 394 O VAL A 49 12.776 -0.375 2.365 1.00 0.00 ATOM 395 C VAL A 49 12.904 -1.338 3.122 1.00 0.00 ATOM 396 N HIS A 50 13.737 -1.363 4.206 1.00 0.00 ATOM 397 CA HIS A 50 14.584 -0.237 4.536 1.00 0.00 ATOM 398 CB HIS A 50 15.109 -0.327 5.965 1.00 0.00 ATOM 399 CG HIS A 50 15.529 -1.698 6.477 1.00 0.00 ATOM 400 CD2 HIS A 50 16.754 -2.216 6.465 1.00 0.00 ATOM 401 ND1 HIS A 50 14.709 -2.570 7.050 1.00 0.00 ATOM 402 CE1 HIS A 50 15.412 -3.653 7.359 1.00 0.00 ATOM 403 NE2 HIS A 50 16.682 -3.428 7.009 1.00 0.00 ATOM 404 O HIS A 50 16.753 -0.670 3.660 1.00 0.00 ATOM 405 C HIS A 50 15.730 -0.003 3.581 1.00 0.00 ATOM 406 N TYR A 51 15.550 1.060 2.700 1.00 0.00 ATOM 407 CA TYR A 51 16.616 1.449 1.802 1.00 0.00 ATOM 408 CB TYR A 51 16.021 2.197 0.610 1.00 0.00 ATOM 409 CG TYR A 51 16.998 2.490 -0.528 1.00 0.00 ATOM 410 CD1 TYR A 51 17.853 1.527 -1.080 1.00 0.00 ATOM 411 CD2 TYR A 51 17.013 3.783 -1.032 1.00 0.00 ATOM 412 CE1 TYR A 51 18.716 1.881 -2.101 1.00 0.00 ATOM 413 CE2 TYR A 51 17.890 4.142 -2.049 1.00 0.00 ATOM 414 CZ TYR A 51 18.736 3.185 -2.590 1.00 0.00 ATOM 415 OH TYR A 51 19.456 3.492 -3.702 1.00 0.00 ATOM 416 O TYR A 51 17.287 3.514 2.901 1.00 0.00 ATOM 417 C TYR A 51 17.542 2.346 2.628 1.00 0.00 ATOM 418 N SER A 52 18.546 1.740 3.200 1.00 0.00 ATOM 419 CA SER A 52 19.555 2.375 4.066 1.00 0.00 ATOM 420 CB SER A 52 20.602 1.331 4.460 1.00 0.00 ATOM 421 OG SER A 52 21.335 0.865 3.337 1.00 0.00 ATOM 422 O SER A 52 20.711 4.428 4.235 1.00 0.00 ATOM 423 C SER A 52 20.279 3.577 3.465 1.00 0.00 ATOM 424 N ASP A 53 20.352 3.613 2.121 1.00 0.00 ATOM 425 CA ASP A 53 21.039 4.677 1.363 1.00 0.00 ATOM 426 CB ASP A 53 21.043 4.370 -0.146 1.00 0.00 ATOM 427 CG ASP A 53 21.947 3.181 -0.523 1.00 0.00 ATOM 428 OD1 ASP A 53 22.740 2.742 0.350 1.00 0.00 ATOM 429 OD2 ASP A 53 21.774 2.642 -1.629 1.00 0.00 ATOM 430 O ASP A 53 21.129 7.053 1.407 1.00 0.00 ATOM 431 C ASP A 53 20.424 6.052 1.564 1.00 0.00 ATOM 432 N ASP A 54 19.168 6.092 1.881 1.00 0.00 ATOM 433 CA ASP A 54 18.439 7.333 2.184 1.00 0.00 ATOM 434 CB ASP A 54 17.778 7.871 0.898 1.00 0.00 ATOM 435 CG ASP A 54 16.690 6.975 0.296 1.00 0.00 ATOM 436 OD1 ASP A 54 16.185 6.100 1.026 1.00 0.00 ATOM 437 OD2 ASP A 54 16.307 7.257 -0.853 1.00 0.00 ATOM 438 O ASP A 54 17.217 5.915 3.740 1.00 0.00 ATOM 439 C ASP A 54 17.331 7.028 3.210 1.00 0.00 ATOM 440 N ARG A 55 16.609 8.070 3.589 1.00 0.00 ATOM 441 CA ARG A 55 15.421 7.936 4.440 1.00 0.00 ATOM 442 CB ARG A 55 14.548 9.159 4.296 1.00 0.00 ATOM 443 CG ARG A 55 14.226 9.726 2.929 1.00 0.00 ATOM 444 CD ARG A 55 14.184 11.195 2.874 1.00 0.00 ATOM 445 NE ARG A 55 15.343 11.927 3.309 1.00 0.00 ATOM 446 CZ ARG A 55 16.498 12.082 2.634 1.00 0.00 ATOM 447 NH1 ARG A 55 16.730 11.435 1.524 1.00 0.00 ATOM 448 NH2 ARG A 55 17.405 12.888 3.157 1.00 0.00 ATOM 449 O ARG A 55 14.446 6.859 2.715 1.00 0.00 ATOM 450 C ARG A 55 14.526 6.794 3.945 1.00 0.00 ATOM 451 N PRO A 56 14.593 5.651 4.759 1.00 0.00 ATOM 452 CA PRO A 56 14.779 4.298 4.244 1.00 0.00 ATOM 453 CB PRO A 56 15.203 3.511 5.470 1.00 0.00 ATOM 454 CG PRO A 56 14.483 4.177 6.642 1.00 0.00 ATOM 455 CD PRO A 56 14.532 5.648 6.235 1.00 0.00 ATOM 456 O PRO A 56 13.878 2.922 2.576 1.00 0.00 ATOM 457 C PRO A 56 13.617 3.615 3.556 1.00 0.00 ATOM 458 N HIS A 57 12.526 3.402 4.397 1.00 0.00 ATOM 459 CA HIS A 57 11.625 2.279 4.159 1.00 0.00 ATOM 460 CB HIS A 57 10.833 1.970 5.430 1.00 0.00 ATOM 461 CG HIS A 57 10.169 0.600 5.324 1.00 0.00 ATOM 462 CD2 HIS A 57 8.890 0.385 5.031 1.00 0.00 ATOM 463 ND1 HIS A 57 10.759 -0.563 5.568 1.00 0.00 ATOM 464 CE1 HIS A 57 9.813 -1.488 5.500 1.00 0.00 ATOM 465 NE2 HIS A 57 8.673 -0.921 5.123 1.00 0.00 ATOM 466 O HIS A 57 10.216 3.625 2.756 1.00 0.00 ATOM 467 C HIS A 57 10.787 2.547 2.898 1.00 0.00 ATOM 468 N LEU A 58 10.867 1.621 1.985 1.00 0.00 ATOM 469 CA LEU A 58 10.135 1.778 0.732 1.00 0.00 ATOM 470 CB LEU A 58 11.053 1.419 -0.414 1.00 0.00 ATOM 471 CG LEU A 58 12.239 2.374 -0.592 1.00 0.00 ATOM 472 CD1 LEU A 58 13.132 1.898 -1.736 1.00 0.00 ATOM 473 CD2 LEU A 58 11.767 3.799 -0.846 1.00 0.00 ATOM 474 O LEU A 58 9.109 -0.337 1.281 1.00 0.00 ATOM 475 C LEU A 58 8.982 0.780 0.781 1.00 0.00 ATOM 476 N TYR A 59 7.848 1.257 0.303 1.00 0.00 ATOM 477 CA TYR A 59 6.649 0.440 0.150 1.00 0.00 ATOM 478 CB TYR A 59 5.412 1.109 0.766 1.00 0.00 ATOM 479 CG TYR A 59 5.412 1.206 2.283 1.00 0.00 ATOM 480 CD1 TYR A 59 5.226 0.064 3.035 1.00 0.00 ATOM 481 CD2 TYR A 59 5.529 2.439 2.888 1.00 0.00 ATOM 482 CE1 TYR A 59 5.148 0.161 4.408 1.00 0.00 ATOM 483 CE2 TYR A 59 5.449 2.540 4.262 1.00 0.00 ATOM 484 CZ TYR A 59 5.260 1.405 5.000 1.00 0.00 ATOM 485 OH TYR A 59 5.186 1.495 6.374 1.00 0.00 ATOM 486 O TYR A 59 6.786 1.063 -2.120 1.00 0.00 ATOM 487 C TYR A 59 6.453 0.177 -1.342 1.00 0.00 ATOM 488 N LYS A 60 6.325 -1.093 -1.707 1.00 0.00 ATOM 489 CA LYS A 60 6.132 -1.482 -3.116 1.00 0.00 ATOM 490 CB LYS A 60 7.416 -2.103 -3.685 1.00 0.00 ATOM 491 CG LYS A 60 7.294 -2.387 -5.186 1.00 0.00 ATOM 492 CD LYS A 60 8.588 -3.001 -5.699 1.00 0.00 ATOM 493 CE LYS A 60 8.449 -3.206 -7.203 1.00 0.00 ATOM 494 NZ LYS A 60 9.673 -3.774 -7.737 1.00 0.00 ATOM 495 O LYS A 60 4.946 -3.495 -2.652 1.00 0.00 ATOM 496 C LYS A 60 4.944 -2.431 -3.257 1.00 0.00 ATOM 497 N LEU A 61 4.060 -2.085 -4.183 1.00 0.00 ATOM 498 CA LEU A 61 2.900 -2.920 -4.567 1.00 0.00 ATOM 499 CB LEU A 61 1.997 -2.215 -5.581 1.00 0.00 ATOM 500 CG LEU A 61 0.519 -2.619 -5.453 1.00 0.00 ATOM 501 CD1 LEU A 61 -0.114 -1.754 -4.386 1.00 0.00 ATOM 502 CD2 LEU A 61 -0.292 -2.268 -6.688 1.00 0.00 ATOM 503 O LEU A 61 3.872 -4.017 -6.490 1.00 0.00 ATOM 504 C LEU A 61 3.327 -4.135 -5.378 1.00 0.00 ATOM 505 N GLY A 62 2.966 -5.314 -4.925 1.00 0.00 ATOM 506 CA GLY A 62 3.296 -6.536 -5.593 1.00 0.00 ATOM 507 O GLY A 62 1.384 -6.051 -6.900 1.00 0.00 ATOM 508 C GLY A 62 2.380 -6.760 -6.784 1.00 0.00 ATOM 509 N PRO A 63 2.852 -7.542 -7.802 1.00 0.00 ATOM 510 CA PRO A 63 2.031 -7.819 -8.991 1.00 0.00 ATOM 511 CB PRO A 63 2.920 -8.812 -9.757 1.00 0.00 ATOM 512 CG PRO A 63 4.315 -8.437 -9.355 1.00 0.00 ATOM 513 CD PRO A 63 4.175 -8.213 -7.879 1.00 0.00 ATOM 514 O PRO A 63 -0.290 -8.028 -9.187 1.00 0.00 ATOM 515 C PRO A 63 0.689 -8.327 -8.536 1.00 0.00 ATOM 516 N GLU A 64 0.606 -9.137 -7.449 1.00 0.00 ATOM 517 CA GLU A 64 -0.659 -9.688 -6.971 1.00 0.00 ATOM 518 CB GLU A 64 -0.405 -10.620 -5.808 1.00 0.00 ATOM 519 CG GLU A 64 0.215 -11.946 -6.226 1.00 0.00 ATOM 520 CD GLU A 64 0.637 -12.777 -5.025 1.00 0.00 ATOM 521 OE1 GLU A 64 0.564 -12.238 -3.895 1.00 0.00 ATOM 522 OE2 GLU A 64 1.148 -13.891 -5.275 1.00 0.00 ATOM 523 O GLU A 64 -2.753 -8.485 -6.887 1.00 0.00 ATOM 524 C GLU A 64 -1.562 -8.533 -6.512 1.00 0.00 ATOM 525 N LEU A 65 -0.975 -7.554 -5.804 1.00 0.00 ATOM 526 CA LEU A 65 -1.782 -6.396 -5.404 1.00 0.00 ATOM 527 CB LEU A 65 -1.088 -5.548 -4.347 1.00 0.00 ATOM 528 CG LEU A 65 -1.989 -4.462 -3.729 1.00 0.00 ATOM 529 CD1 LEU A 65 -3.377 -4.961 -3.343 1.00 0.00 ATOM 530 CD2 LEU A 65 -1.385 -3.935 -2.431 1.00 0.00 ATOM 531 O LEU A 65 -3.325 -5.034 -6.663 1.00 0.00 ATOM 532 C LEU A 65 -2.199 -5.554 -6.623 1.00 0.00 ATOM 533 N THR A 66 -1.316 -5.459 -7.646 1.00 0.00 ATOM 534 CA THR A 66 -1.629 -4.723 -8.886 1.00 0.00 ATOM 535 CB THR A 66 -0.406 -4.709 -9.804 1.00 0.00 ATOM 536 CG2 THR A 66 -0.653 -3.963 -11.121 1.00 0.00 ATOM 537 OG1 THR A 66 0.694 -4.071 -9.161 1.00 0.00 ATOM 538 O THR A 66 -3.668 -4.672 -10.101 1.00 0.00 ATOM 539 C THR A 66 -2.817 -5.374 -9.585 1.00 0.00 ATOM 540 N GLU A 67 -2.883 -6.697 -9.582 1.00 0.00 ATOM 541 CA GLU A 67 -4.025 -7.408 -10.202 1.00 0.00 ATOM 542 CB GLU A 67 -3.779 -8.902 -10.032 1.00 0.00 ATOM 543 CG GLU A 67 -2.783 -9.448 -11.050 1.00 0.00 ATOM 544 CD GLU A 67 -2.601 -10.965 -10.876 1.00 0.00 ATOM 545 OE1 GLU A 67 -3.430 -11.625 -10.216 1.00 0.00 ATOM 546 OE2 GLU A 67 -1.670 -11.489 -11.519 1.00 0.00 ATOM 547 O GLU A 67 -6.371 -6.931 -10.175 1.00 0.00 ATOM 548 C GLU A 67 -5.336 -7.088 -9.507 1.00 0.00 ATOM 549 N LYS A 68 -5.346 -7.042 -8.162 1.00 0.00 ATOM 550 CA LYS A 68 -6.552 -6.671 -7.444 1.00 0.00 ATOM 551 CB LYS A 68 -6.159 -6.661 -5.960 1.00 0.00 ATOM 552 CG LYS A 68 -7.353 -6.256 -5.113 1.00 0.00 ATOM 553 CD LYS A 68 -7.056 -6.217 -3.628 1.00 0.00 ATOM 554 CE LYS A 68 -8.342 -5.853 -2.913 1.00 0.00 ATOM 555 NZ LYS A 68 -8.042 -6.042 -1.502 1.00 0.00 ATOM 556 O LYS A 68 -8.283 -5.115 -7.974 1.00 0.00 ATOM 557 C LYS A 68 -7.081 -5.301 -7.855 1.00 0.00 ATOM 558 N GLY A 69 -6.173 -4.324 -8.088 1.00 0.00 ATOM 559 CA GLY A 69 -6.553 -2.994 -8.532 1.00 0.00 ATOM 560 O GLY A 69 -8.216 -2.281 -10.125 1.00 0.00 ATOM 561 C GLY A 69 -7.245 -3.023 -9.877 1.00 0.00 ATOM 562 N GLU A 70 -6.729 -3.894 -10.805 1.00 0.00 ATOM 563 CA GLU A 70 -7.326 -4.015 -12.142 1.00 0.00 ATOM 564 CB GLU A 70 -6.559 -5.090 -12.891 1.00 0.00 ATOM 565 CG GLU A 70 -5.236 -4.576 -13.430 1.00 0.00 ATOM 566 CD GLU A 70 -4.391 -5.672 -14.074 1.00 0.00 ATOM 567 OE1 GLU A 70 -4.883 -6.810 -14.203 1.00 0.00 ATOM 568 OE2 GLU A 70 -3.237 -5.314 -14.417 1.00 0.00 ATOM 569 O GLU A 70 -9.627 -4.095 -12.741 1.00 0.00 ATOM 570 C GLU A 70 -8.763 -4.512 -11.999 1.00 0.00 ATOM 571 N ASN A 71 -8.996 -5.411 -11.059 1.00 0.00 ATOM 572 CA ASN A 71 -10.369 -5.866 -10.825 1.00 0.00 ATOM 573 CB ASN A 71 -10.318 -6.858 -9.686 1.00 0.00 ATOM 574 CG ASN A 71 -9.735 -8.162 -10.199 1.00 0.00 ATOM 575 ND2 ASN A 71 -9.260 -8.976 -9.298 1.00 0.00 ATOM 576 OD1 ASN A 71 -9.835 -8.472 -11.368 1.00 0.00 ATOM 577 O ASN A 71 -12.461 -4.675 -10.894 1.00 0.00 ATOM 578 C ASN A 71 -11.330 -4.751 -10.407 1.00 0.00 ATOM 579 N TYR A 72 -10.883 -3.897 -9.521 1.00 0.00 ATOM 580 CA TYR A 72 -11.683 -2.721 -9.198 1.00 0.00 ATOM 581 CB TYR A 72 -10.918 -1.951 -8.121 1.00 0.00 ATOM 582 CG TYR A 72 -11.874 -1.119 -7.272 1.00 0.00 ATOM 583 CD1 TYR A 72 -12.549 -1.698 -6.200 1.00 0.00 ATOM 584 CD2 TYR A 72 -12.129 0.196 -7.616 1.00 0.00 ATOM 585 CE1 TYR A 72 -13.521 -0.980 -5.523 1.00 0.00 ATOM 586 CE2 TYR A 72 -13.071 0.922 -6.917 1.00 0.00 ATOM 587 CZ TYR A 72 -13.787 0.324 -5.894 1.00 0.00 ATOM 588 OH TYR A 72 -14.856 1.006 -5.391 1.00 0.00 ATOM 589 O TYR A 72 -13.195 -1.409 -10.524 1.00 0.00 ATOM 590 C TYR A 72 -12.058 -1.869 -10.414 1.00 0.00 ATOM 591 N LEU A 73 -11.122 -1.655 -11.357 1.00 0.00 ATOM 592 CA LEU A 73 -11.399 -0.866 -12.555 1.00 0.00 ATOM 593 CB LEU A 73 -10.118 -0.775 -13.383 1.00 0.00 ATOM 594 CG LEU A 73 -10.311 -0.006 -14.701 1.00 0.00 ATOM 595 CD1 LEU A 73 -10.611 1.462 -14.461 1.00 0.00 ATOM 596 CD2 LEU A 73 -9.035 -0.072 -15.521 1.00 0.00 ATOM 597 O LEU A 73 -13.400 -0.727 -13.895 1.00 0.00 ATOM 598 C LEU A 73 -12.545 -1.456 -13.392 1.00 0.00 ATOM 599 N LYS A 74 -12.618 -2.781 -13.409 1.00 0.00 ATOM 600 CA LYS A 74 -13.640 -3.497 -14.190 1.00 0.00 ATOM 601 CB LYS A 74 -13.209 -4.941 -14.367 1.00 0.00 ATOM 602 CG LYS A 74 -12.105 -5.050 -15.419 1.00 0.00 ATOM 603 CD LYS A 74 -11.835 -6.518 -15.685 1.00 0.00 ATOM 604 CE LYS A 74 -10.537 -6.696 -16.424 1.00 0.00 ATOM 605 NZ LYS A 74 -10.289 -8.119 -16.556 1.00 0.00 ATOM 606 O LYS A 74 -16.039 -3.527 -14.415 1.00 0.00 ATOM 607 C LYS A 74 -15.079 -3.356 -13.654 1.00 0.00 ATOM 608 N GLU A 75 -15.224 -2.993 -12.381 1.00 0.00 ATOM 609 CA GLU A 75 -16.547 -2.704 -11.782 1.00 0.00 ATOM 610 CB GLU A 75 -16.725 -3.418 -10.438 1.00 0.00 ATOM 611 CG GLU A 75 -16.850 -4.941 -10.580 1.00 0.00 ATOM 612 CD GLU A 75 -18.159 -5.471 -11.169 1.00 0.00 ATOM 613 OE1 GLU A 75 -18.948 -4.688 -11.729 1.00 0.00 ATOM 614 OE2 GLU A 75 -18.342 -6.705 -11.103 1.00 0.00 ATOM 615 O GLU A 75 -17.829 -0.839 -10.969 1.00 0.00 ATOM 616 C GLU A 75 -16.810 -1.218 -11.537 1.00 0.00 ATOM 617 N ASN A 76 -15.912 -0.354 -12.003 1.00 0.00 ATOM 618 CA ASN A 76 -16.076 1.105 -11.858 1.00 0.00 ATOM 619 CB ASN A 76 -14.800 1.756 -12.369 1.00 0.00 ATOM 620 CG ASN A 76 -13.626 1.589 -11.401 1.00 0.00 ATOM 621 ND2 ASN A 76 -12.468 1.962 -11.879 1.00 0.00 ATOM 622 OD1 ASN A 76 -13.718 1.258 -10.228 1.00 0.00 ATOM 623 O ASN A 76 -18.139 2.341 -12.109 1.00 0.00 ATOM 624 C ASN A 76 -17.281 1.650 -12.642 1.00 0.00 ATOM 625 N GLY A 77 -17.359 1.222 -13.898 1.00 0.00 ATOM 626 CA GLY A 77 -18.503 1.503 -14.779 1.00 0.00 ATOM 627 O GLY A 77 -20.824 1.613 -14.158 1.00 0.00 ATOM 628 C GLY A 77 -19.808 0.929 -14.202 1.00 0.00 ATOM 629 N THR A 78 -19.731 -0.322 -13.750 1.00 0.00 ATOM 630 CA THR A 78 -20.876 -1.002 -13.106 1.00 0.00 ATOM 631 CB THR A 78 -20.559 -2.368 -12.655 1.00 0.00 ATOM 632 CG2 THR A 78 -21.782 -3.035 -12.062 1.00 0.00 ATOM 633 OG1 THR A 78 -20.124 -3.112 -13.803 1.00 0.00 ATOM 634 O THR A 78 -22.502 -0.219 -11.526 1.00 0.00 ATOM 635 C THR A 78 -21.318 -0.267 -11.829 1.00 0.00 ATOM 636 N TRP A 79 -20.348 0.162 -11.028 1.00 0.00 ATOM 637 CA TRP A 79 -20.598 0.912 -9.787 1.00 0.00 ATOM 638 CB TRP A 79 -19.243 1.171 -9.116 1.00 0.00 ATOM 639 CG TRP A 79 -19.324 1.809 -7.735 1.00 0.00 ATOM 640 CD1 TRP A 79 -19.717 3.058 -7.511 1.00 0.00 ATOM 641 CD2 TRP A 79 -19.001 1.245 -6.502 1.00 0.00 ATOM 642 CE2 TRP A 79 -19.246 2.227 -5.566 1.00 0.00 ATOM 643 CE3 TRP A 79 -18.456 0.026 -6.110 1.00 0.00 ATOM 644 NE1 TRP A 79 -19.675 3.314 -6.208 1.00 0.00 ATOM 645 CZ2 TRP A 79 -18.973 2.006 -4.225 1.00 0.00 ATOM 646 CZ3 TRP A 79 -18.181 -0.189 -4.762 1.00 0.00 ATOM 647 CH2 TRP A 79 -18.437 0.802 -3.827 1.00 0.00 ATOM 648 O TRP A 79 -22.363 2.602 -9.471 1.00 0.00 ATOM 649 C TRP A 79 -21.403 2.195 -10.118 1.00 0.00 ATOM 650 N SER A 80 -21.046 2.820 -11.223 1.00 0.00 ATOM 651 CA SER A 80 -21.839 3.949 -11.754 1.00 0.00 ATOM 652 CB SER A 80 -21.208 4.512 -13.038 1.00 0.00 ATOM 653 OG SER A 80 -19.905 4.971 -12.716 1.00 0.00 ATOM 654 O SER A 80 -24.270 4.213 -11.702 1.00 0.00 ATOM 655 C SER A 80 -23.287 3.522 -12.041 1.00 0.00 ATOM 656 N LYS A 81 -23.438 2.347 -12.657 1.00 0.00 ATOM 657 CA LYS A 81 -24.766 1.853 -12.999 1.00 0.00 ATOM 658 CB LYS A 81 -24.630 0.566 -13.804 1.00 0.00 ATOM 659 CG LYS A 81 -24.064 0.833 -15.186 1.00 0.00 ATOM 660 CD LYS A 81 -23.968 -0.502 -15.925 1.00 0.00 ATOM 661 CE LYS A 81 -23.307 -0.291 -17.273 1.00 0.00 ATOM 662 NZ LYS A 81 -23.232 -1.533 -18.051 1.00 0.00 ATOM 663 O LYS A 81 -26.744 2.044 -11.662 1.00 0.00 ATOM 664 C LYS A 81 -25.614 1.574 -11.741 1.00 0.00 ATOM 665 N ALA A 82 -24.996 0.964 -10.734 1.00 0.00 ATOM 666 CA ALA A 82 -25.692 0.704 -9.451 1.00 0.00 ATOM 667 CB ALA A 82 -24.820 -0.153 -8.527 1.00 0.00 ATOM 668 O ALA A 82 -27.109 2.020 -7.996 1.00 0.00 ATOM 669 C ALA A 82 -26.102 1.988 -8.700 1.00 0.00 ATOM 670 N TYR A 83 -25.312 3.045 -8.906 1.00 0.00 ATOM 671 CA TYR A 83 -25.570 4.421 -8.417 1.00 0.00 ATOM 672 CB TYR A 83 -24.557 5.325 -9.107 1.00 0.00 ATOM 673 CG TYR A 83 -24.633 6.796 -8.718 1.00 0.00 ATOM 674 CD1 TYR A 83 -23.749 7.170 -7.720 1.00 0.00 ATOM 675 CD2 TYR A 83 -25.437 7.752 -9.345 1.00 0.00 ATOM 676 CE1 TYR A 83 -23.675 8.488 -7.363 1.00 0.00 ATOM 677 CE2 TYR A 83 -25.363 9.089 -8.962 1.00 0.00 ATOM 678 CZ TYR A 83 -24.468 9.454 -7.962 1.00 0.00 ATOM 679 OH TYR A 83 -24.326 10.735 -7.589 1.00 0.00 ATOM 680 O TYR A 83 -27.616 5.632 -8.161 1.00 0.00 ATOM 681 C TYR A 83 -26.906 4.968 -8.904 1.00 0.00 ATOM 682 N LYS A 84 -27.250 4.628 -10.162 1.00 0.00 ATOM 683 CA LYS A 84 -28.488 5.095 -10.771 1.00 0.00 ATOM 684 CB LYS A 84 -28.549 4.691 -12.226 1.00 0.00 ATOM 685 CG LYS A 84 -27.657 5.614 -13.046 1.00 0.00 ATOM 686 CD LYS A 84 -27.615 5.163 -14.498 1.00 0.00 ATOM 687 CE LYS A 84 -26.685 6.008 -15.377 1.00 0.00 ATOM 688 NZ LYS A 84 -26.572 5.481 -16.779 1.00 0.00 ATOM 689 O LYS A 84 -30.690 5.182 -9.815 1.00 0.00 ATOM 690 C LYS A 84 -29.710 4.482 -10.058 1.00 0.00 ATOM 691 N THR A 85 -29.627 3.214 -9.644 1.00 0.00 ATOM 692 CA THR A 85 -30.740 2.577 -8.938 1.00 0.00 ATOM 693 CB THR A 85 -30.652 1.066 -8.897 1.00 0.00 ATOM 694 CG2 THR A 85 -30.358 0.482 -10.287 1.00 0.00 ATOM 695 OG1 THR A 85 -29.567 0.658 -8.053 1.00 0.00 ATOM 696 O THR A 85 -32.060 3.423 -7.125 1.00 0.00 ATOM 697 C THR A 85 -30.933 3.197 -7.558 1.00 0.00 ATOM 698 N ILE A 86 -29.824 3.535 -6.859 1.00 0.00 ATOM 699 CA ILE A 86 -29.895 4.156 -5.537 1.00 0.00 ATOM 700 CB ILE A 86 -28.473 4.335 -5.010 1.00 0.00 ATOM 701 CG1 ILE A 86 -27.942 2.955 -4.544 1.00 0.00 ATOM 702 CG2 ILE A 86 -28.402 5.350 -3.882 1.00 0.00 ATOM 703 CD1 ILE A 86 -26.436 2.951 -4.366 1.00 0.00 ATOM 704 O ILE A 86 -31.336 5.906 -4.780 1.00 0.00 ATOM 705 C ILE A 86 -30.552 5.524 -5.642 1.00 0.00 ATOM 706 N LYS A 87 -30.189 6.276 -6.677 1.00 0.00 ATOM 707 CA LYS A 87 -30.756 7.622 -6.860 1.00 0.00 ATOM 708 CB LYS A 87 -30.054 8.243 -8.071 1.00 0.00 ATOM 709 CG LYS A 87 -30.517 9.682 -8.270 1.00 0.00 ATOM 710 CD LYS A 87 -29.696 10.390 -9.344 1.00 0.00 ATOM 711 CE LYS A 87 -30.150 11.834 -9.402 1.00 0.00 ATOM 712 NZ LYS A 87 -29.581 12.451 -10.597 1.00 0.00 ATOM 713 O LYS A 87 -33.004 8.385 -6.488 1.00 0.00 ATOM 714 C LYS A 87 -32.268 7.583 -7.062 1.00 0.00 ATOM 715 N GLU A 88 -32.748 6.607 -7.800 1.00 0.00 ATOM 716 CA GLU A 88 -34.177 6.505 -8.056 1.00 0.00 ATOM 717 CB GLU A 88 -34.356 5.376 -9.052 1.00 0.00 ATOM 718 CG GLU A 88 -35.818 5.315 -9.488 1.00 0.00 ATOM 719 CD GLU A 88 -36.094 4.342 -10.625 1.00 0.00 ATOM 720 OE1 GLU A 88 -35.131 3.767 -11.173 1.00 0.00 ATOM 721 OE2 GLU A 88 -37.312 4.179 -10.875 1.00 0.00 ATOM 722 O GLU A 88 -35.904 6.819 -6.424 1.00 0.00 ATOM 723 C GLU A 88 -34.920 6.170 -6.771 1.00 0.00 ATOM 724 N ILE A 89 -34.406 5.205 -6.053 1.00 0.00 ATOM 725 CA ILE A 89 -35.027 4.792 -4.802 1.00 0.00 ATOM 726 CB ILE A 89 -34.260 3.579 -4.329 1.00 0.00 ATOM 727 CG1 ILE A 89 -34.619 2.375 -5.189 1.00 0.00 ATOM 728 CG2 ILE A 89 -34.685 3.330 -2.911 1.00 0.00 ATOM 729 CD1 ILE A 89 -33.882 1.099 -4.844 1.00 0.00 ATOM 730 O ILE A 89 -35.879 6.054 -2.929 1.00 0.00 ATOM 731 C ILE A 89 -34.974 5.913 -3.740 1.00 0.00 ATOM 732 N LYS A 90 -33.818 6.541 -3.604 1.00 0.00 ATOM 733 CA LYS A 90 -33.647 7.668 -2.702 1.00 0.00 ATOM 734 CB LYS A 90 -32.228 8.189 -2.838 1.00 0.00 ATOM 735 CG LYS A 90 -31.984 9.400 -1.936 1.00 0.00 ATOM 736 CD LYS A 90 -30.563 9.886 -2.087 1.00 0.00 ATOM 737 CE LYS A 90 -30.382 11.133 -1.254 1.00 0.00 ATOM 738 NZ LYS A 90 -29.074 11.675 -1.607 1.00 0.00 ATOM 739 O LYS A 90 -35.316 9.259 -2.032 1.00 0.00 ATOM 740 C LYS A 90 -34.712 8.728 -2.965 1.00 0.00 ATOM 741 N ASP A 91 -34.945 9.067 -4.261 1.00 0.00 ATOM 742 CA ASP A 91 -35.939 10.064 -4.630 1.00 0.00 ATOM 743 CB ASP A 91 -36.006 10.251 -6.137 1.00 0.00 ATOM 744 CG ASP A 91 -37.014 11.320 -6.500 1.00 0.00 ATOM 745 OD1 ASP A 91 -36.899 12.383 -5.902 1.00 0.00 ATOM 746 OD2 ASP A 91 -37.915 11.159 -7.335 1.00 0.00 ATOM 747 O ASP A 91 -38.071 10.401 -3.586 1.00 0.00 ATOM 748 C ASP A 91 -37.333 9.622 -4.179 1.00 0.00 ATOM 749 N TRP A 92 -37.685 8.317 -4.332 1.00 0.00 ATOM 750 CA TRP A 92 -38.990 7.848 -3.901 1.00 0.00 ATOM 751 CB TRP A 92 -39.154 6.447 -4.512 1.00 0.00 ATOM 752 CG TRP A 92 -40.434 5.731 -4.078 1.00 0.00 ATOM 753 CD1 TRP A 92 -41.698 5.977 -4.452 1.00 0.00 ATOM 754 CD2 TRP A 92 -40.469 4.741 -3.123 1.00 0.00 ATOM 755 CE2 TRP A 92 -41.799 4.391 -2.983 1.00 0.00 ATOM 756 CE3 TRP A 92 -39.479 4.083 -2.391 1.00 0.00 ATOM 757 NE1 TRP A 92 -42.519 5.164 -3.784 1.00 0.00 ATOM 758 CZ2 TRP A 92 -42.151 3.355 -2.150 1.00 0.00 ATOM 759 CZ3 TRP A 92 -39.842 3.065 -1.529 1.00 0.00 ATOM 760 CH2 TRP A 92 -41.180 2.706 -1.416 1.00 0.00 ATOM 761 O TRP A 92 -40.144 8.329 -1.855 1.00 0.00 ATOM 762 C TRP A 92 -39.137 7.858 -2.388 1.00 0.00 ATOM 763 N ILE A 93 -38.149 7.341 -1.696 1.00 0.00 ATOM 764 CA ILE A 93 -38.183 7.289 -0.237 1.00 0.00 ATOM 765 CB ILE A 93 -36.897 6.493 0.272 1.00 0.00 ATOM 766 CG1 ILE A 93 -37.008 5.004 -0.095 1.00 0.00 ATOM 767 CG2 ILE A 93 -36.729 6.687 1.781 1.00 0.00 ATOM 768 CD1 ILE A 93 -35.800 4.178 0.265 1.00 0.00 ATOM 769 O ILE A 93 -38.959 8.906 1.337 1.00 0.00 ATOM 770 C ILE A 93 -38.236 8.678 0.374 1.00 0.00 ATOM 771 N LYS A 94 -37.421 9.587 -0.150 1.00 0.00 ATOM 772 CA LYS A 94 -37.394 10.945 0.353 1.00 0.00 ATOM 773 CB LYS A 94 -36.295 11.728 -0.469 1.00 0.00 ATOM 774 CG LYS A 94 -36.248 13.206 -0.043 1.00 0.00 ATOM 775 CD LYS A 94 -35.086 13.946 -0.655 1.00 0.00 ATOM 776 CE LYS A 94 -35.111 15.422 -0.342 1.00 0.00 ATOM 777 NZ LYS A 94 -33.880 16.090 -0.870 1.00 0.00 ATOM 778 O LYS A 94 -39.149 12.191 1.210 1.00 0.00 ATOM 779 C LYS A 94 -38.768 11.592 0.215 1.00 0.00 ATOM 780 N LEU A 95 -39.425 11.475 -0.921 1.00 0.00 ATOM 781 CA LEU A 95 -40.751 12.040 -1.162 1.00 0.00 ATOM 782 CB LEU A 95 -41.167 11.687 -2.601 1.00 0.00 ATOM 783 CG LEU A 95 -42.593 12.028 -3.018 1.00 0.00 ATOM 784 CD1 LEU A 95 -42.799 13.568 -2.969 1.00 0.00 ATOM 785 CD2 LEU A 95 -42.887 11.492 -4.413 1.00 0.00 ATOM 786 O LEU A 95 -42.530 12.223 0.464 1.00 0.00 ATOM 787 C LEU A 95 -41.777 11.476 -0.165 1.00 0.00 ATOM 788 N GLU A 96 -41.709 10.161 -0.033 1.00 0.00 ATOM 789 CA GLU A 96 -42.635 9.474 0.884 1.00 0.00 ATOM 790 CB GLU A 96 -42.557 7.952 0.693 1.00 0.00 ATOM 791 CG GLU A 96 -43.604 7.254 1.614 1.00 0.00 ATOM 792 CD GLU A 96 -43.375 5.751 1.616 1.00 0.00 ATOM 793 OE1 GLU A 96 -42.499 5.248 0.867 1.00 0.00 ATOM 794 OE2 GLU A 96 -44.036 5.068 2.447 1.00 0.00 ATOM 795 O GLU A 96 -43.374 10.185 3.048 1.00 0.00 ATOM 796 C GLU A 96 -42.416 9.934 2.325 1.00 0.00 ATOM 797 N HIS A 97 -41.155 10.045 2.735 1.00 0.00 ATOM 798 CA HIS A 97 -40.829 10.478 4.094 1.00 0.00 ATOM 799 CB HIS A 97 -39.341 10.550 4.292 1.00 0.00 ATOM 800 CG HIS A 97 -38.923 10.898 5.683 1.00 0.00 ATOM 801 CD2 HIS A 97 -38.268 11.979 6.165 1.00 0.00 ATOM 802 ND1 HIS A 97 -39.116 10.057 6.758 1.00 0.00 ATOM 803 CE1 HIS A 97 -38.612 10.613 7.844 1.00 0.00 ATOM 804 NE2 HIS A 97 -38.094 11.781 7.511 1.00 0.00 ATOM 805 O HIS A 97 -41.884 12.223 5.430 1.00 0.00 ATOM 806 C HIS A 97 -41.338 11.926 4.375 1.00 0.00 ATOM 807 N HIS A 98 -41.182 12.809 3.418 1.00 0.00 ATOM 808 CA HIS A 98 -41.641 14.199 3.535 1.00 0.00 ATOM 809 CB HIS A 98 -41.107 15.054 2.394 1.00 0.00 ATOM 810 CG HIS A 98 -39.646 15.347 2.497 1.00 0.00 ATOM 811 CD2 HIS A 98 -38.625 15.073 1.643 1.00 0.00 ATOM 812 ND1 HIS A 98 -39.063 16.074 3.534 1.00 0.00 ATOM 813 CE1 HIS A 98 -37.741 16.208 3.309 1.00 0.00 ATOM 814 NE2 HIS A 98 -37.475 15.585 2.170 1.00 0.00 ATOM 815 O HIS A 98 -43.703 14.967 4.499 1.00 0.00 ATOM 816 C HIS A 98 -43.155 14.273 3.633 1.00 0.00 ATOM 817 N HIS A 99 -43.843 13.453 2.850 1.00 0.00 ATOM 818 CA HIS A 99 -45.302 13.418 2.889 1.00 0.00 ATOM 819 CB HIS A 99 -45.858 12.512 1.770 1.00 0.00 ATOM 820 CG HIS A 99 -47.299 12.153 1.941 1.00 0.00 ATOM 821 CD2 HIS A 99 -48.434 12.779 1.539 1.00 0.00 ATOM 822 ND1 HIS A 99 -47.709 11.009 2.604 1.00 0.00 ATOM 823 CE1 HIS A 99 -49.032 10.960 2.620 1.00 0.00 ATOM 824 NE2 HIS A 99 -49.497 12.022 1.984 1.00 0.00 ATOM 825 O HIS A 99 -46.706 13.539 4.868 1.00 0.00 ATOM 826 C HIS A 99 -45.815 12.922 4.261 1.00 0.00 ATOM 827 N HIS A 100 -45.198 11.854 4.756 1.00 0.00 ATOM 828 CA HIS A 100 -45.575 11.306 6.054 1.00 0.00 ATOM 829 CB HIS A 100 -44.844 10.071 6.395 1.00 0.00 ATOM 830 CG HIS A 100 -45.475 8.894 5.734 1.00 0.00 ATOM 831 CD2 HIS A 100 -45.264 8.329 4.520 1.00 0.00 ATOM 832 ND1 HIS A 100 -46.563 8.237 6.280 1.00 0.00 ATOM 833 CE1 HIS A 100 -46.955 7.287 5.449 1.00 0.00 ATOM 834 NE2 HIS A 100 -46.186 7.323 4.376 1.00 0.00 ATOM 835 O HIS A 100 -46.214 12.581 8.033 1.00 0.00 ATOM 836 C HIS A 100 -45.351 12.349 7.195 1.00 0.00 ATOM 837 N HIS A 101 -44.200 13.014 7.185 1.00 0.00 ATOM 838 CA HIS A 101 -43.872 14.047 8.176 1.00 0.00 ATOM 839 CB HIS A 101 -42.393 14.495 7.990 1.00 0.00 ATOM 840 CG HIS A 101 -41.783 15.228 9.161 1.00 0.00 ATOM 841 CD2 HIS A 101 -42.325 16.101 10.055 1.00 0.00 ATOM 842 ND1 HIS A 101 -40.445 15.159 9.486 1.00 0.00 ATOM 843 CE1 HIS A 101 -40.208 15.975 10.542 1.00 0.00 ATOM 844 NE2 HIS A 101 -41.315 16.576 10.936 1.00 0.00 ATOM 845 O HIS A 101 -45.122 15.925 9.102 1.00 0.00 ATOM 846 C HIS A 101 -44.849 15.256 8.089 1.00 0.00 ATOM 847 N HIS A 102 -45.489 15.433 6.927 1.00 0.00 ATOM 848 CA HIS A 102 -46.437 16.530 6.699 1.00 0.00 ATOM 849 CB HIS A 102 -45.759 17.655 5.895 1.00 0.00 ATOM 850 CG HIS A 102 -44.572 18.260 6.592 1.00 0.00 ATOM 851 CD2 HIS A 102 -43.294 17.826 6.713 1.00 0.00 ATOM 852 ND1 HIS A 102 -44.649 19.421 7.330 1.00 0.00 ATOM 853 CE1 HIS A 102 -43.478 19.671 7.884 1.00 0.00 ATOM 854 NE2 HIS A 102 -42.635 18.719 7.525 1.00 0.00 ATOM 855 O HIS A 102 -48.002 16.422 4.871 1.00 0.00 ATOM 856 C HIS A 102 -47.721 16.027 5.996 1.00 0.00 ENDMDL EXPDTA 2hgcA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hgcA ATOM 1 N LYS 5 -10.778 0.805 4.578 1.00 0.00 ATOM 2 CA LYS 5 -11.189 2.161 4.269 1.00 0.00 ATOM 3 CB LYS 5 -11.594 2.908 5.544 1.00 0.00 ATOM 4 CG LYS 5 -12.149 4.303 5.291 1.00 0.00 ATOM 5 CD LYS 5 -12.417 5.046 6.594 1.00 0.00 ATOM 6 CE LYS 5 -13.480 4.354 7.439 1.00 0.00 ATOM 7 NZ LYS 5 -14.808 4.351 6.772 1.00 0.00 ATOM 8 O LYS 5 -10.189 3.403 2.475 1.00 0.00 ATOM 9 C LYS 5 -10.038 2.879 3.573 1.00 0.00 ATOM 10 N LEU 6 -8.878 2.890 4.219 1.00 0.00 ATOM 11 CA LEU 6 -7.695 3.516 3.641 1.00 0.00 ATOM 12 CB LEU 6 -6.929 4.340 4.688 1.00 0.00 ATOM 13 CG LEU 6 -7.628 5.612 5.191 1.00 0.00 ATOM 14 CD1 LEU 6 -8.225 6.400 4.032 1.00 0.00 ATOM 15 CD2 LEU 6 -8.692 5.279 6.228 1.00 0.00 ATOM 16 O LEU 6 -5.690 2.826 2.528 1.00 0.00 ATOM 17 C LEU 6 -6.759 2.478 3.025 1.00 0.00 ATOM 18 N ARG 7 -7.163 1.209 3.040 1.00 0.00 ATOM 19 CA ARG 7 -6.294 0.135 2.555 1.00 0.00 ATOM 20 CB ARG 7 -6.882 -1.240 2.875 1.00 0.00 ATOM 21 CG ARG 7 -7.344 -1.409 4.315 1.00 0.00 ATOM 22 CD ARG 7 -6.198 -1.436 5.306 1.00 0.00 ATOM 23 NE ARG 7 -6.694 -1.609 6.669 1.00 0.00 ATOM 24 CZ ARG 7 -5.918 -1.652 7.753 1.00 0.00 ATOM 25 NH1 ARG 7 -4.603 -1.584 7.643 1.00 0.00 ATOM 26 NH2 ARG 7 -6.457 -1.767 8.957 1.00 0.00 ATOM 27 O ARG 7 -4.963 0.354 0.571 1.00 0.00 ATOM 28 C ARG 7 -6.093 0.265 1.051 1.00 0.00 ATOM 29 N TYR 8 -7.199 0.284 0.312 1.00 0.00 ATOM 30 CA TYR 8 -7.147 0.469 -1.133 1.00 0.00 ATOM 31 CB TYR 8 -8.546 0.338 -1.752 1.00 0.00 ATOM 32 CG TYR 8 -8.661 1.012 -3.103 1.00 0.00 ATOM 33 CD1 TYR 8 -8.180 0.402 -4.253 1.00 0.00 ATOM 34 CD2 TYR 8 -9.221 2.279 -3.217 1.00 0.00 ATOM 35 CE1 TYR 8 -8.251 1.037 -5.476 1.00 0.00 ATOM 36 CE2 TYR 8 -9.301 2.916 -4.437 1.00 0.00 ATOM 37 CZ TYR 8 -8.812 2.292 -5.562 1.00 0.00 ATOM 38 OH TYR 8 -8.877 2.928 -6.777 1.00 0.00 ATOM 39 O TYR 8 -5.766 1.952 -2.419 1.00 0.00 ATOM 40 C TYR 8 -6.557 1.829 -1.482 1.00 0.00 ATOM 41 N ALA 9 -6.947 2.844 -0.722 1.00 0.00 ATOM 42 CA ALA 9 -6.541 4.211 -1.001 1.00 0.00 ATOM 43 CB ALA 9 -7.182 5.157 0.004 1.00 0.00 ATOM 44 O ALA 9 -4.450 4.956 -1.918 1.00 0.00 ATOM 45 C ALA 9 -5.020 4.348 -1.009 1.00 0.00 ATOM 46 N ILE 10 -4.365 3.753 -0.019 1.00 0.00 ATOM 47 CA ILE 10 -2.912 3.784 0.054 1.00 0.00 ATOM 48 CB ILE 10 -2.408 3.351 1.450 1.00 0.00 ATOM 49 CG1 ILE 10 -2.885 4.353 2.509 1.00 0.00 ATOM 50 CG2 ILE 10 -0.888 3.232 1.466 1.00 0.00 ATOM 51 CD1 ILE 10 -2.423 4.033 3.914 1.00 0.00 ATOM 52 O ILE 10 -1.297 3.275 -1.648 1.00 0.00 ATOM 53 C ILE 10 -2.295 2.901 -1.032 1.00 0.00 ATOM 54 N LEU 11 -2.910 1.744 -1.285 1.00 0.00 ATOM 55 CA LEU 11 -2.451 0.846 -2.347 1.00 0.00 ATOM 56 CB LEU 11 -3.357 -0.379 -2.456 1.00 0.00 ATOM 57 CG LEU 11 -2.875 -1.622 -1.712 1.00 0.00 ATOM 58 CD1 LEU 11 -3.927 -2.717 -1.778 1.00 0.00 ATOM 59 CD2 LEU 11 -1.564 -2.117 -2.299 1.00 0.00 ATOM 60 O LEU 11 -1.444 1.440 -4.443 1.00 0.00 ATOM 61 C LEU 11 -2.411 1.561 -3.692 1.00 0.00 ATOM 62 N LYS 12 -3.466 2.308 -3.987 1.00 0.00 ATOM 63 CA LYS 12 -3.550 3.051 -5.234 1.00 0.00 ATOM 64 CB LYS 12 -4.904 3.743 -5.354 1.00 0.00 ATOM 65 CG LYS 12 -5.107 4.431 -6.693 1.00 0.00 ATOM 66 CD LYS 12 -5.957 5.680 -6.558 1.00 0.00 ATOM 67 CE LYS 12 -5.270 6.725 -5.688 1.00 0.00 ATOM 68 NZ LYS 12 -3.906 7.057 -6.191 1.00 0.00 ATOM 69 O LYS 12 -1.853 4.316 -6.373 1.00 0.00 ATOM 70 C LYS 12 -2.438 4.094 -5.312 1.00 0.00 ATOM 71 N GLU 13 -2.158 4.738 -4.182 1.00 0.00 ATOM 72 CA GLU 13 -1.098 5.740 -4.114 1.00 0.00 ATOM 73 CB GLU 13 -1.094 6.431 -2.751 1.00 0.00 ATOM 74 CG GLU 13 -1.305 7.935 -2.827 1.00 0.00 ATOM 75 CD GLU 13 -2.677 8.312 -3.347 1.00 0.00 ATOM 76 OE1 GLU 13 -3.653 8.233 -2.575 1.00 0.00 ATOM 77 OE2 GLU 13 -2.786 8.704 -4.527 1.00 0.00 ATOM 78 O GLU 13 1.128 5.685 -5.002 1.00 0.00 ATOM 79 C GLU 13 0.258 5.095 -4.369 1.00 0.00 ATOM 80 N ILE 14 0.431 3.880 -3.869 1.00 0.00 ATOM 81 CA ILE 14 1.646 3.116 -4.115 1.00 0.00 ATOM 82 CB ILE 14 1.679 1.821 -3.265 1.00 0.00 ATOM 83 CG1 ILE 14 1.684 2.164 -1.770 1.00 0.00 ATOM 84 CG2 ILE 14 2.890 0.968 -3.623 1.00 0.00 ATOM 85 CD1 ILE 14 1.642 0.951 -0.861 1.00 0.00 ATOM 86 O ILE 14 2.815 2.905 -6.206 1.00 0.00 ATOM 87 C ILE 14 1.755 2.757 -5.596 1.00 0.00 ATOM 88 N PHE 15 0.636 2.320 -6.163 1.00 0.00 ATOM 89 CA PHE 15 0.590 1.844 -7.542 1.00 0.00 ATOM 90 CB PHE 15 -0.831 1.393 -7.888 1.00 0.00 ATOM 91 CG PHE 15 -0.976 0.841 -9.280 1.00 0.00 ATOM 92 CD1 PHE 15 -0.623 -0.469 -9.557 1.00 0.00 ATOM 93 CD2 PHE 15 -1.472 1.630 -10.308 1.00 0.00 ATOM 94 CE1 PHE 15 -0.761 -0.983 -10.832 1.00 0.00 ATOM 95 CE2 PHE 15 -1.610 1.121 -11.585 1.00 0.00 ATOM 96 CZ PHE 15 -1.254 -0.188 -11.847 1.00 0.00 ATOM 97 O PHE 15 1.910 2.643 -9.381 1.00 0.00 ATOM 98 C PHE 15 1.053 2.907 -8.539 1.00 0.00 ATOM 99 N GLU 16 0.497 4.108 -8.441 1.00 0.00 ATOM 100 CA GLU 16 0.815 5.155 -9.408 1.00 0.00 ATOM 101 CB GLU 16 -0.435 5.968 -9.769 1.00 0.00 ATOM 102 CG GLU 16 -1.013 6.779 -8.622 1.00 0.00 ATOM 103 CD GLU 16 -2.192 7.629 -9.056 1.00 0.00 ATOM 104 OE1 GLU 16 -1.974 8.651 -9.739 1.00 0.00 ATOM 105 OE2 GLU 16 -3.344 7.275 -8.718 1.00 0.00 ATOM 106 O GLU 16 2.564 6.779 -9.670 1.00 0.00 ATOM 107 C GLU 16 1.918 6.075 -8.893 1.00 0.00 ATOM 108 N GLY 17 2.134 6.060 -7.582 1.00 0.00 ATOM 109 CA GLY 17 3.155 6.898 -6.985 1.00 0.00 ATOM 110 O GLY 17 5.508 7.153 -7.250 1.00 0.00 ATOM 111 C GLY 17 4.551 6.382 -7.253 1.00 0.00 ATOM 112 N ASN 18 4.657 5.065 -7.452 1.00 0.00 ATOM 113 CA ASN 18 5.920 4.404 -7.811 1.00 0.00 ATOM 114 CB ASN 18 6.589 5.128 -8.995 1.00 0.00 ATOM 115 CG ASN 18 7.780 4.382 -9.576 1.00 0.00 ATOM 116 ND2 ASN 18 7.745 3.060 -9.520 1.00 0.00 ATOM 117 OD1 ASN 18 8.716 4.993 -10.096 1.00 0.00 ATOM 118 O ASN 18 7.949 3.735 -6.708 1.00 0.00 ATOM 119 C ASN 18 6.869 4.317 -6.609 1.00 0.00 ATOM 120 N THR 19 6.423 4.873 -5.475 1.00 0.00 ATOM 121 CA THR 19 7.158 4.876 -4.197 1.00 0.00 ATOM 122 CB THR 19 7.311 3.455 -3.581 1.00 0.00 ATOM 123 CG2 THR 19 5.954 2.892 -3.185 1.00 0.00 ATOM 124 OG1 THR 19 7.955 2.550 -4.483 1.00 0.00 ATOM 125 O THR 19 9.140 5.651 -5.348 1.00 0.00 ATOM 126 C THR 19 8.528 5.569 -4.284 1.00 0.00 ATOM 127 N PRO 20 9.024 6.106 -3.153 1.00 0.00 ATOM 128 CA PRO 20 8.342 6.061 -1.858 1.00 0.00 ATOM 129 CB PRO 20 9.470 6.314 -0.844 1.00 0.00 ATOM 130 CG PRO 20 10.722 6.524 -1.640 1.00 0.00 ATOM 131 CD PRO 20 10.298 6.815 -3.050 1.00 0.00 ATOM 132 O PRO 20 7.231 8.083 -2.521 1.00 0.00 ATOM 133 C PRO 20 7.279 7.150 -1.722 1.00 0.00 ATOM 134 N LEU 21 6.435 7.029 -0.706 1.00 0.00 ATOM 135 CA LEU 21 5.429 8.041 -0.426 1.00 0.00 ATOM 136 CB LEU 21 4.063 7.672 -1.029 1.00 0.00 ATOM 137 CG LEU 21 3.398 6.405 -0.473 1.00 0.00 ATOM 138 CD1 LEU 21 1.894 6.468 -0.679 1.00 0.00 ATOM 139 CD2 LEU 21 3.954 5.164 -1.152 1.00 0.00 ATOM 140 O LEU 21 5.525 7.317 1.855 1.00 0.00 ATOM 141 C LEU 21 5.297 8.243 1.076 1.00 0.00 ATOM 142 N SER 22 4.959 9.458 1.471 1.00 0.00 ATOM 143 CA SER 22 4.773 9.783 2.875 1.00 0.00 ATOM 144 CB SER 22 5.039 11.266 3.117 1.00 0.00 ATOM 145 OG SER 22 4.719 11.673 4.437 1.00 0.00 ATOM 146 O SER 22 2.467 9.211 2.519 1.00 0.00 ATOM 147 C SER 22 3.367 9.446 3.327 1.00 0.00 ATOM 148 N GLU 23 3.192 9.460 4.627 1.00 0.00 ATOM 149 CA GLU 23 1.895 9.211 5.226 1.00 0.00 ATOM 150 CB GLU 23 2.004 8.717 6.680 1.00 0.00 ATOM 151 CG GLU 23 3.424 8.586 7.216 1.00 0.00 ATOM 152 CD GLU 23 4.126 9.919 7.358 1.00 0.00 ATOM 153 OE1 GLU 23 3.788 10.681 8.286 1.00 0.00 ATOM 154 OE2 GLU 23 5.011 10.212 6.527 1.00 0.00 ATOM 155 O GLU 23 -0.098 10.459 4.741 1.00 0.00 ATOM 156 C GLU 23 1.058 10.477 5.170 1.00 0.00 ATOM 157 N ASN 24 1.655 11.585 5.582 1.00 0.00 ATOM 158 CA ASN 24 0.971 12.871 5.558 1.00 0.00 ATOM 159 CB ASN 24 1.805 13.945 6.264 1.00 0.00 ATOM 160 CG ASN 24 1.080 15.277 6.369 1.00 0.00 ATOM 161 ND2 ASN 24 -0.226 15.235 6.596 1.00 0.00 ATOM 162 OD1 ASN 24 1.694 16.338 6.266 1.00 0.00 ATOM 163 O ASN 24 -0.254 13.985 3.819 1.00 0.00 ATOM 164 C ASN 24 0.712 13.284 4.117 1.00 0.00 ATOM 165 N ASP 25 1.574 12.811 3.225 1.00 0.00 ATOM 166 CA ASP 25 1.488 13.152 1.811 1.00 0.00 ATOM 167 CB ASP 25 2.792 12.786 1.100 1.00 0.00 ATOM 168 CG ASP 25 2.939 13.455 -0.253 1.00 0.00 ATOM 169 OD1 ASP 25 2.719 12.785 -1.283 1.00 0.00 ATOM 170 OD2 ASP 25 3.310 14.648 -0.290 1.00 0.00 ATOM 171 O ASP 25 -0.412 13.029 0.353 1.00 0.00 ATOM 172 C ASP 25 0.305 12.439 1.158 1.00 0.00 ATOM 173 N ILE 26 0.091 11.171 1.520 1.00 0.00 ATOM 174 CA ILE 26 -1.059 10.427 1.011 1.00 0.00 ATOM 175 CB ILE 26 -0.866 8.882 1.158 1.00 0.00 ATOM 176 CG1 ILE 26 -2.027 8.092 0.515 1.00 0.00 ATOM 177 CG2 ILE 26 -0.688 8.478 2.614 1.00 0.00 ATOM 178 CD1 ILE 26 -3.233 7.874 1.413 1.00 0.00 ATOM 179 O ILE 26 -3.411 10.941 1.090 1.00 0.00 ATOM 180 C ILE 26 -2.342 10.910 1.702 1.00 0.00 ATOM 181 N GLY 27 -2.226 11.310 2.969 1.00 0.00 ATOM 182 CA GLY 27 -3.360 11.900 3.663 1.00 0.00 ATOM 183 O GLY 27 -4.823 11.344 5.469 1.00 0.00 ATOM 184 C GLY 27 -3.707 11.204 4.970 1.00 0.00 ATOM 185 N VAL 28 -2.760 10.465 5.535 1.00 0.00 ATOM 186 CA VAL 28 -2.998 9.741 6.781 1.00 0.00 ATOM 187 CB VAL 28 -3.119 8.215 6.546 1.00 0.00 ATOM 188 CG1 VAL 28 -4.297 7.898 5.638 1.00 0.00 ATOM 189 CG2 VAL 28 -1.833 7.652 5.962 1.00 0.00 ATOM 190 O VAL 28 -0.903 10.694 7.472 1.00 0.00 ATOM 191 C VAL 28 -1.879 10.009 7.786 1.00 0.00 ATOM 192 N THR 29 -2.027 9.488 8.996 1.00 0.00 ATOM 193 CA THR 29 -0.980 9.597 10.001 1.00 0.00 ATOM 194 CB THR 29 -1.558 9.565 11.432 1.00 0.00 ATOM 195 CG2 THR 29 -2.434 10.783 11.690 1.00 0.00 ATOM 196 OG1 THR 29 -2.325 8.372 11.629 1.00 0.00 ATOM 197 O THR 29 -0.179 7.555 9.026 1.00 0.00 ATOM 198 C THR 29 0.033 8.470 9.831 1.00 0.00 ATOM 199 N GLU 30 1.127 8.535 10.585 1.00 0.00 ATOM 200 CA GLU 30 2.183 7.531 10.497 1.00 0.00 ATOM 201 CB GLU 30 3.295 7.825 11.500 1.00 0.00 ATOM 202 CG GLU 30 3.594 9.297 11.673 1.00 0.00 ATOM 203 CD GLU 30 4.742 9.538 12.625 1.00 0.00 ATOM 204 OE1 GLU 30 4.555 9.344 13.845 1.00 0.00 ATOM 205 OE2 GLU 30 5.832 9.923 12.156 1.00 0.00 ATOM 206 O GLU 30 1.781 5.218 10.007 1.00 0.00 ATOM 207 C GLU 30 1.626 6.149 10.794 1.00 0.00 ATOM 208 N ASP 31 0.960 6.039 11.935 1.00 0.00 ATOM 209 CA ASP 31 0.459 4.761 12.425 1.00 0.00 ATOM 210 CB ASP 31 -0.047 4.911 13.859 1.00 0.00 ATOM 211 CG ASP 31 1.086 4.895 14.868 1.00 0.00 ATOM 212 OD1 ASP 31 1.730 5.946 15.073 1.00 0.00 ATOM 213 OD2 ASP 31 1.349 3.823 15.455 1.00 0.00 ATOM 214 O ASP 31 -0.769 2.966 11.422 1.00 0.00 ATOM 215 C ASP 31 -0.629 4.186 11.522 1.00 0.00 ATOM 216 N GLN 32 -1.387 5.058 10.863 1.00 0.00 ATOM 217 CA GLN 32 -2.406 4.617 9.910 1.00 0.00 ATOM 218 CB GLN 32 -3.313 5.783 9.507 1.00 0.00 ATOM 219 CG GLN 32 -4.278 6.216 10.598 1.00 0.00 ATOM 220 CD GLN 32 -5.060 7.462 10.226 1.00 0.00 ATOM 221 OE1 GLN 32 -4.572 8.319 9.487 1.00 0.00 ATOM 222 NE2 GLN 32 -6.275 7.574 10.739 1.00 0.00 ATOM 223 O GLN 32 -2.135 2.939 8.212 1.00 0.00 ATOM 224 C GLN 32 -1.749 4.014 8.672 1.00 0.00 ATOM 225 N PHE 33 -0.749 4.713 8.149 1.00 0.00 ATOM 226 CA PHE 33 0.017 4.238 7.001 1.00 0.00 ATOM 227 CB PHE 33 1.020 5.318 6.585 1.00 0.00 ATOM 228 CG PHE 33 1.778 5.025 5.320 1.00 0.00 ATOM 229 CD1 PHE 33 1.216 5.297 4.082 1.00 0.00 ATOM 230 CD2 PHE 33 3.062 4.502 5.369 1.00 0.00 ATOM 231 CE1 PHE 33 1.917 5.052 2.918 1.00 0.00 ATOM 232 CE2 PHE 33 3.766 4.252 4.206 1.00 0.00 ATOM 233 CZ PHE 33 3.192 4.529 2.979 1.00 0.00 ATOM 234 O PHE 33 0.726 1.972 6.607 1.00 0.00 ATOM 235 C PHE 33 0.741 2.945 7.363 1.00 0.00 ATOM 236 N ASP 34 1.356 2.957 8.538 1.00 0.00 ATOM 237 CA ASP 34 2.064 1.802 9.084 1.00 0.00 ATOM 238 CB ASP 34 2.575 2.151 10.483 1.00 0.00 ATOM 239 CG ASP 34 3.123 0.963 11.247 1.00 0.00 ATOM 240 OD1 ASP 34 4.338 0.700 11.157 1.00 0.00 ATOM 241 OD2 ASP 34 2.355 0.332 12.001 1.00 0.00 ATOM 242 O ASP 34 1.516 -0.485 8.606 1.00 0.00 ATOM 243 C ASP 34 1.169 0.569 9.142 1.00 0.00 ATOM 244 N ASP 35 0.010 0.707 9.778 1.00 0.00 ATOM 245 CA ASP 35 -0.917 -0.412 9.928 1.00 0.00 ATOM 246 CB ASP 35 -2.134 0.002 10.757 1.00 0.00 ATOM 247 CG ASP 35 -3.061 -1.164 11.057 1.00 0.00 ATOM 248 OD1 ASP 35 -3.862 -1.541 10.178 1.00 0.00 ATOM 249 OD2 ASP 35 -3.003 -1.703 12.181 1.00 0.00 ATOM 250 O ASP 35 -1.478 -2.127 8.347 1.00 0.00 ATOM 251 C ASP 35 -1.369 -0.920 8.566 1.00 0.00 ATOM 252 N ALA 36 -1.619 0.007 7.650 1.00 0.00 ATOM 253 CA ALA 36 -2.054 -0.344 6.308 1.00 0.00 ATOM 254 CB ALA 36 -2.365 0.908 5.506 1.00 0.00 ATOM 255 O ALA 36 -1.306 -2.272 5.107 1.00 0.00 ATOM 256 C ALA 36 -1.003 -1.190 5.603 1.00 0.00 ATOM 257 N VAL 37 0.232 -0.704 5.586 1.00 0.00 ATOM 258 CA VAL 37 1.325 -1.408 4.926 1.00 0.00 ATOM 259 CB VAL 37 2.639 -0.599 4.996 1.00 0.00 ATOM 260 CG1 VAL 37 3.802 -1.389 4.412 1.00 0.00 ATOM 261 CG2 VAL 37 2.482 0.729 4.269 1.00 0.00 ATOM 262 O VAL 37 1.686 -3.781 4.826 1.00 0.00 ATOM 263 C VAL 37 1.537 -2.790 5.542 1.00 0.00 ATOM 264 N ASN 38 1.527 -2.853 6.869 1.00 0.00 ATOM 265 CA ASN 38 1.724 -4.117 7.576 1.00 0.00 ATOM 266 CB ASN 38 1.786 -3.888 9.088 1.00 0.00 ATOM 267 CG ASN 38 3.083 -3.237 9.526 1.00 0.00 ATOM 268 ND2 ASN 38 3.016 -2.440 10.579 1.00 0.00 ATOM 269 OD1 ASN 38 4.135 -3.446 8.918 1.00 0.00 ATOM 270 O ASN 38 0.881 -6.285 6.978 1.00 0.00 ATOM 271 C ASN 38 0.616 -5.111 7.249 1.00 0.00 ATOM 272 N PHE 39 -0.621 -4.632 7.264 1.00 0.00 ATOM 273 CA PHE 39 -1.776 -5.472 6.968 1.00 0.00 ATOM 274 CB PHE 39 -3.072 -4.695 7.221 1.00 0.00 ATOM 275 CG PHE 39 -4.324 -5.473 6.921 1.00 0.00 ATOM 276 CD1 PHE 39 -4.768 -6.456 7.789 1.00 0.00 ATOM 277 CD2 PHE 39 -5.057 -5.217 5.773 1.00 0.00 ATOM 278 CE1 PHE 39 -5.917 -7.170 7.520 1.00 0.00 ATOM 279 CE2 PHE 39 -6.208 -5.928 5.497 1.00 0.00 ATOM 280 CZ PHE 39 -6.639 -6.906 6.373 1.00 0.00 ATOM 281 O PHE 39 -1.927 -7.158 5.265 1.00 0.00 ATOM 282 C PHE 39 -1.732 -5.969 5.526 1.00 0.00 ATOM 283 N LEU 40 -1.459 -5.059 4.597 1.00 0.00 ATOM 284 CA LEU 40 -1.410 -5.401 3.180 1.00 0.00 ATOM 285 CB LEU 40 -1.227 -4.140 2.333 1.00 0.00 ATOM 286 CG LEU 40 -2.344 -3.099 2.462 1.00 0.00 ATOM 287 CD1 LEU 40 -1.999 -1.849 1.670 1.00 0.00 ATOM 288 CD2 LEU 40 -3.675 -3.671 1.996 1.00 0.00 ATOM 289 O LEU 40 -0.410 -7.269 2.046 1.00 0.00 ATOM 290 C LEU 40 -0.284 -6.392 2.902 1.00 0.00 ATOM 291 N LYS 41 0.812 -6.247 3.635 1.00 0.00 ATOM 292 CA LYS 41 1.942 -7.158 3.519 1.00 0.00 ATOM 293 CB LYS 41 3.136 -6.620 4.312 1.00 0.00 ATOM 294 CG LYS 41 4.360 -7.518 4.257 1.00 0.00 ATOM 295 CD LYS 41 5.458 -7.023 5.183 1.00 0.00 ATOM 296 CE LYS 41 6.654 -7.959 5.176 1.00 0.00 ATOM 297 NZ LYS 41 6.297 -9.321 5.654 1.00 0.00 ATOM 298 O LYS 41 1.923 -9.556 3.411 1.00 0.00 ATOM 299 C LYS 41 1.570 -8.548 4.023 1.00 0.00 ATOM 300 N ARG 42 0.841 -8.590 5.131 1.00 0.00 ATOM 301 CA ARG 42 0.490 -9.850 5.776 1.00 0.00 ATOM 302 CB ARG 42 -0.160 -9.589 7.137 1.00 0.00 ATOM 303 CG ARG 42 -0.239 -10.826 8.020 1.00 0.00 ATOM 304 CD ARG 42 -1.111 -10.595 9.245 1.00 0.00 ATOM 305 NE ARG 42 -2.527 -10.504 8.894 1.00 0.00 ATOM 306 CZ ARG 42 -3.515 -10.432 9.781 1.00 0.00 ATOM 307 NH1 ARG 42 -3.256 -10.412 11.081 1.00 0.00 ATOM 308 NH2 ARG 42 -4.771 -10.391 9.357 1.00 0.00 ATOM 309 O ARG 42 -0.258 -11.861 4.694 1.00 0.00 ATOM 310 C ARG 42 -0.463 -10.664 4.907 1.00 0.00 ATOM 311 N GLU 43 -1.501 -10.008 4.399 1.00 0.00 ATOM 312 CA GLU 43 -2.526 -10.691 3.618 1.00 0.00 ATOM 313 CB GLU 43 -3.789 -9.834 3.524 1.00 0.00 ATOM 314 CG GLU 43 -4.346 -9.417 4.877 1.00 0.00 ATOM 315 CD GLU 43 -4.614 -10.593 5.796 1.00 0.00 ATOM 316 OE1 GLU 43 -3.701 -10.980 6.555 1.00 0.00 ATOM 317 OE2 GLU 43 -5.741 -11.130 5.774 1.00 0.00 ATOM 318 O GLU 43 -2.527 -11.946 1.572 1.00 0.00 ATOM 319 C GLU 43 -2.014 -11.034 2.222 1.00 0.00 ATOM 320 N GLY 44 -1.004 -10.305 1.767 1.00 0.00 ATOM 321 CA GLY 44 -0.397 -10.604 0.484 1.00 0.00 ATOM 322 O GLY 44 -1.245 -10.181 -1.709 1.00 0.00 ATOM 323 C GLY 44 -0.892 -9.706 -0.630 1.00 0.00 ATOM 324 N TYR 45 -0.933 -8.407 -0.373 1.00 0.00 ATOM 325 CA TYR 45 -1.309 -7.441 -1.398 1.00 0.00 ATOM 326 CB TYR 45 -2.223 -6.359 -0.818 1.00 0.00 ATOM 327 CG TYR 45 -3.591 -6.870 -0.422 1.00 0.00 ATOM 328 CD1 TYR 45 -3.901 -7.123 0.908 1.00 0.00 ATOM 329 CD2 TYR 45 -4.573 -7.096 -1.379 1.00 0.00 ATOM 330 CE1 TYR 45 -5.150 -7.586 1.274 1.00 0.00 ATOM 331 CE2 TYR 45 -5.825 -7.559 -1.022 1.00 0.00 ATOM 332 CZ TYR 45 -6.109 -7.803 0.306 1.00 0.00 ATOM 333 OH TYR 45 -7.356 -8.266 0.670 1.00 0.00 ATOM 334 O TYR 45 -0.022 -6.543 -3.215 1.00 0.00 ATOM 335 C TYR 45 -0.068 -6.812 -2.013 1.00 0.00 ATOM 336 N ILE 46 0.944 -6.593 -1.186 1.00 0.00 ATOM 337 CA ILE 46 2.204 -6.032 -1.649 1.00 0.00 ATOM 338 CB ILE 46 2.265 -4.491 -1.479 1.00 0.00 ATOM 339 CG1 ILE 46 1.610 -4.031 -0.167 1.00 0.00 ATOM 340 CG2 ILE 46 1.622 -3.795 -2.665 1.00 0.00 ATOM 341 CD1 ILE 46 2.449 -4.273 1.070 1.00 0.00 ATOM 342 O ILE 46 3.233 -7.197 0.179 1.00 0.00 ATOM 343 C ILE 46 3.381 -6.673 -0.928 1.00 0.00 ATOM 344 N ILE 47 4.539 -6.640 -1.569 1.00 0.00 ATOM 345 CA ILE 47 5.762 -7.180 -0.991 1.00 0.00 ATOM 346 CB ILE 47 6.178 -8.508 -1.662 1.00 0.00 ATOM 347 CG1 ILE 47 6.344 -8.320 -3.173 1.00 0.00 ATOM 348 CG2 ILE 47 5.155 -9.596 -1.367 1.00 0.00 ATOM 349 CD1 ILE 47 6.842 -9.555 -3.893 1.00 0.00 ATOM 350 O ILE 47 6.740 -5.157 -1.817 1.00 0.00 ATOM 351 C ILE 47 6.894 -6.170 -1.135 1.00 0.00 ATOM 352 N GLY 48 8.022 -6.440 -0.491 1.00 0.00 ATOM 353 CA GLY 48 9.157 -5.538 -0.570 1.00 0.00 ATOM 354 O GLY 48 9.905 -3.566 0.565 1.00 0.00 ATOM 355 C GLY 48 9.183 -4.565 0.588 1.00 0.00 ATOM 356 N VAL 49 8.389 -4.864 1.605 1.00 0.00 ATOM 357 CA VAL 49 8.296 -4.017 2.781 1.00 0.00 ATOM 358 CB VAL 49 6.989 -4.282 3.558 1.00 0.00 ATOM 359 CG1 VAL 49 6.938 -3.463 4.840 1.00 0.00 ATOM 360 CG2 VAL 49 5.782 -3.981 2.682 1.00 0.00 ATOM 361 O VAL 49 9.667 -5.331 4.246 1.00 0.00 ATOM 362 C VAL 49 9.491 -4.247 3.693 1.00 0.00 ATOM 363 N HIS 50 10.318 -3.226 3.834 1.00 0.00 ATOM 364 CA HIS 50 11.513 -3.329 4.651 1.00 0.00 ATOM 365 CB HIS 50 12.745 -2.873 3.868 1.00 0.00 ATOM 366 CG HIS 50 13.100 -3.772 2.724 1.00 0.00 ATOM 367 CD2 HIS 50 13.699 -4.985 2.705 1.00 0.00 ATOM 368 ND1 HIS 50 12.842 -3.455 1.408 1.00 0.00 ATOM 369 CE1 HIS 50 13.267 -4.436 0.632 1.00 0.00 ATOM 370 NE2 HIS 50 13.790 -5.375 1.393 1.00 0.00 ATOM 371 O HIS 50 10.960 -1.341 5.864 1.00 0.00 ATOM 372 C HIS 50 11.370 -2.500 5.914 1.00 0.00 ATOM 373 N TYR 51 11.689 -3.105 7.042 1.00 0.00 ATOM 374 CA TYR 51 11.690 -2.399 8.310 1.00 0.00 ATOM 375 CB TYR 51 11.279 -3.337 9.448 1.00 0.00 ATOM 376 CG TYR 51 9.884 -3.893 9.298 1.00 0.00 ATOM 377 CD1 TYR 51 9.662 -5.101 8.650 1.00 0.00 ATOM 378 CD2 TYR 51 8.790 -3.208 9.803 1.00 0.00 ATOM 379 CE1 TYR 51 8.386 -5.609 8.509 1.00 0.00 ATOM 380 CE2 TYR 51 7.512 -3.709 9.669 1.00 0.00 ATOM 381 CZ TYR 51 7.314 -4.908 9.021 1.00 0.00 ATOM 382 OH TYR 51 6.039 -5.407 8.888 1.00 0.00 ATOM 383 O TYR 51 14.076 -2.465 8.230 1.00 0.00 ATOM 384 C TYR 51 13.078 -1.831 8.564 1.00 0.00 ATOM 385 N SER 52 13.153 -0.645 9.147 1.00 0.00 ATOM 386 CA SER 52 14.442 0.002 9.338 1.00 0.00 ATOM 387 CB SER 52 14.506 1.293 8.504 1.00 0.00 ATOM 388 OG SER 52 15.768 1.932 8.596 1.00 0.00 ATOM 389 O SER 52 15.224 -0.550 11.537 1.00 0.00 ATOM 390 C SER 52 14.668 0.279 10.818 1.00 0.00 ATOM 391 N ASP 53 14.211 1.433 11.265 1.00 0.00 ATOM 392 CA ASP 53 14.216 1.776 12.679 1.00 0.00 ATOM 393 CB ASP 53 13.643 3.190 12.863 1.00 0.00 ATOM 394 CG ASP 53 12.560 3.530 11.842 1.00 0.00 ATOM 395 OD1 ASP 53 12.680 4.575 11.169 1.00 0.00 ATOM 396 OD2 ASP 53 11.609 2.739 11.668 1.00 0.00 ATOM 397 O ASP 53 13.857 0.144 14.424 1.00 0.00 ATOM 398 C ASP 53 13.389 0.764 13.464 1.00 0.00 ATOM 399 N ASP 54 12.173 0.582 13.000 1.00 0.00 ATOM 400 CA ASP 54 11.196 -0.293 13.639 1.00 0.00 ATOM 401 CB ASP 54 10.737 0.304 14.974 1.00 0.00 ATOM 402 CG ASP 54 9.621 -0.494 15.623 1.00 0.00 ATOM 403 OD1 ASP 54 9.894 -1.600 16.130 1.00 0.00 ATOM 404 OD2 ASP 54 8.466 -0.010 15.642 1.00 0.00 ATOM 405 O ASP 54 9.396 -1.580 12.706 1.00 0.00 ATOM 406 C ASP 54 9.988 -0.501 12.730 1.00 0.00 ATOM 407 N ARG 55 9.647 0.527 11.959 1.00 0.00 ATOM 408 CA ARG 55 8.438 0.512 11.159 1.00 0.00 ATOM 409 CB ARG 55 7.677 1.828 11.367 1.00 0.00 ATOM 410 CG ARG 55 7.573 2.229 12.833 1.00 0.00 ATOM 411 CD ARG 55 6.486 3.261 13.070 1.00 0.00 ATOM 412 NE ARG 55 5.156 2.657 13.073 1.00 0.00 ATOM 413 CZ ARG 55 4.146 3.088 13.831 1.00 0.00 ATOM 414 NH1 ARG 55 4.291 4.161 14.600 1.00 0.00 ATOM 415 NH2 ARG 55 2.983 2.449 13.821 1.00 0.00 ATOM 416 O ARG 55 9.956 0.447 9.304 1.00 0.00 ATOM 417 C ARG 55 8.790 0.309 9.688 1.00 0.00 ATOM 418 N PRO 56 7.805 -0.057 8.850 1.00 0.00 ATOM 419 CA PRO 56 8.018 -0.241 7.414 1.00 0.00 ATOM 420 CB PRO 56 6.649 -0.689 6.892 1.00 0.00 ATOM 421 CG PRO 56 5.677 -0.253 7.931 1.00 0.00 ATOM 422 CD PRO 56 6.411 -0.343 9.233 1.00 0.00 ATOM 423 O PRO 56 7.890 2.117 6.959 1.00 0.00 ATOM 424 C PRO 56 8.450 1.047 6.721 1.00 0.00 ATOM 425 N HIS 57 9.459 0.937 5.877 1.00 0.00 ATOM 426 CA HIS 57 9.930 2.066 5.095 1.00 0.00 ATOM 427 CB HIS 57 11.312 2.525 5.568 1.00 0.00 ATOM 428 CG HIS 57 11.276 3.305 6.850 1.00 0.00 ATOM 429 CD2 HIS 57 11.242 2.895 8.140 1.00 0.00 ATOM 430 ND1 HIS 57 11.263 4.680 6.894 1.00 0.00 ATOM 431 CE1 HIS 57 11.219 5.080 8.150 1.00 0.00 ATOM 432 NE2 HIS 57 11.207 4.017 8.929 1.00 0.00 ATOM 433 O HIS 57 10.469 0.640 3.244 1.00 0.00 ATOM 434 C HIS 57 9.968 1.701 3.620 1.00 0.00 ATOM 435 N LEU 58 9.426 2.578 2.794 1.00 0.00 ATOM 436 CA LEU 58 9.351 2.333 1.364 1.00 0.00 ATOM 437 CB LEU 58 8.005 2.807 0.809 1.00 0.00 ATOM 438 CG LEU 58 6.782 2.098 1.400 1.00 0.00 ATOM 439 CD1 LEU 58 5.505 2.643 0.788 1.00 0.00 ATOM 440 CD2 LEU 58 6.876 0.594 1.186 1.00 0.00 ATOM 441 O LEU 58 10.857 4.158 0.975 1.00 0.00 ATOM 442 C LEU 58 10.497 3.027 0.646 1.00 0.00 ATOM 443 N TYR 59 11.076 2.336 -0.321 1.00 0.00 ATOM 444 CA TYR 59 12.180 2.877 -1.090 1.00 0.00 ATOM 445 CB TYR 59 13.360 1.902 -1.081 1.00 0.00 ATOM 446 CG TYR 59 13.877 1.607 0.309 1.00 0.00 ATOM 447 CD1 TYR 59 13.609 0.395 0.929 1.00 0.00 ATOM 448 CD2 TYR 59 14.623 2.549 1.005 1.00 0.00 ATOM 449 CE1 TYR 59 14.069 0.128 2.205 1.00 0.00 ATOM 450 CE2 TYR 59 15.090 2.290 2.281 1.00 0.00 ATOM 451 CZ TYR 59 14.809 1.079 2.876 1.00 0.00 ATOM 452 OH TYR 59 15.264 0.817 4.148 1.00 0.00 ATOM 453 O TYR 59 10.541 3.015 -2.819 1.00 0.00 ATOM 454 C TYR 59 11.721 3.158 -2.512 1.00 0.00 ATOM 455 N LYS 60 12.647 3.544 -3.377 1.00 0.00 ATOM 456 CA LYS 60 12.305 3.911 -4.746 1.00 0.00 ATOM 457 CB LYS 60 13.350 4.879 -5.305 1.00 0.00 ATOM 458 CG LYS 60 13.613 6.071 -4.397 1.00 0.00 ATOM 459 CD LYS 60 14.598 7.047 -5.018 1.00 0.00 ATOM 460 CE LYS 60 14.969 8.154 -4.043 1.00 0.00 ATOM 461 NZ LYS 60 15.745 7.636 -2.886 1.00 0.00 ATOM 462 O LYS 60 11.850 2.732 -6.800 1.00 0.00 ATOM 463 C LYS 60 12.209 2.664 -5.621 1.00 0.00 ATOM 464 N LEU 61 12.552 1.530 -5.032 1.00 0.00 ATOM 465 CA LEU 61 12.472 0.247 -5.706 1.00 0.00 ATOM 466 CB LEU 61 13.706 0.035 -6.598 1.00 0.00 ATOM 467 CG LEU 61 13.593 -1.070 -7.658 1.00 0.00 ATOM 468 CD1 LEU 61 14.672 -0.894 -8.715 1.00 0.00 ATOM 469 CD2 LEU 61 13.704 -2.455 -7.032 1.00 0.00 ATOM 470 O LEU 61 13.237 -0.968 -3.790 1.00 0.00 ATOM 471 C LEU 61 12.366 -0.845 -4.652 1.00 0.00 ATOM 472 N GLY 62 11.293 -1.615 -4.701 1.00 0.00 ATOM 473 CA GLY 62 11.084 -2.642 -3.701 1.00 0.00 ATOM 474 O GLY 62 9.305 -4.222 -3.695 1.00 0.00 ATOM 475 C GLY 62 9.627 -3.044 -3.563 1.00 0.00 ATOM 476 N PRO 63 8.721 -2.090 -3.270 1.00 0.00 ATOM 477 CA PRO 63 7.286 -2.375 -3.136 1.00 0.00 ATOM 478 CB PRO 63 6.673 -1.021 -2.762 1.00 0.00 ATOM 479 CG PRO 63 7.813 -0.200 -2.265 1.00 0.00 ATOM 480 CD PRO 63 9.016 -0.668 -3.025 1.00 0.00 ATOM 481 O PRO 63 6.477 -2.146 -5.389 1.00 0.00 ATOM 482 C PRO 63 6.669 -2.897 -4.432 1.00 0.00 ATOM 483 N GLU 64 6.379 -4.190 -4.455 1.00 0.00 ATOM 484 CA GLU 64 5.768 -4.829 -5.612 1.00 0.00 ATOM 485 CB GLU 64 6.555 -6.085 -5.996 1.00 0.00 ATOM 486 CG GLU 64 8.064 -5.890 -6.044 1.00 0.00 ATOM 487 CD GLU 64 8.541 -5.186 -7.294 1.00 0.00 ATOM 488 OE1 GLU 64 8.494 -3.943 -7.346 1.00 0.00 ATOM 489 OE2 GLU 64 9.000 -5.880 -8.227 1.00 0.00 ATOM 490 O GLU 64 4.072 -5.689 -4.163 1.00 0.00 ATOM 491 C GLU 64 4.337 -5.228 -5.272 1.00 0.00 ATOM 492 N LEU 65 3.418 -5.052 -6.208 1.00 0.00 ATOM 493 CA LEU 65 2.044 -5.486 -5.995 1.00 0.00 ATOM 494 CB LEU 65 1.041 -4.591 -6.733 1.00 0.00 ATOM 495 CG LEU 65 0.703 -3.270 -6.034 1.00 0.00 ATOM 496 CD1 LEU 65 1.759 -2.213 -6.327 1.00 0.00 ATOM 497 CD2 LEU 65 -0.682 -2.789 -6.444 1.00 0.00 ATOM 498 O LEU 65 2.492 -7.377 -7.405 1.00 0.00 ATOM 499 C LEU 65 1.868 -6.930 -6.438 1.00 0.00 ATOM 500 N THR 66 1.040 -7.660 -5.713 1.00 0.00 ATOM 501 CA THR 66 0.708 -9.022 -6.082 1.00 0.00 ATOM 502 CB THR 66 0.338 -9.863 -4.844 1.00 0.00 ATOM 503 CG2 THR 66 1.485 -9.894 -3.842 1.00 0.00 ATOM 504 OG1 THR 66 -0.835 -9.322 -4.218 1.00 0.00 ATOM 505 O THR 66 -1.078 -7.957 -7.258 1.00 0.00 ATOM 506 C THR 66 -0.469 -9.007 -7.043 1.00 0.00 ATOM 507 N GLU 67 -0.796 -10.154 -7.621 1.00 0.00 ATOM 508 CA GLU 67 -1.969 -10.244 -8.471 1.00 0.00 ATOM 509 CB GLU 67 -2.066 -11.615 -9.144 1.00 0.00 ATOM 510 CG GLU 67 -3.369 -11.813 -9.902 1.00 0.00 ATOM 511 CD GLU 67 -3.359 -13.036 -10.785 1.00 0.00 ATOM 512 OE1 GLU 67 -3.745 -12.918 -11.968 1.00 0.00 ATOM 513 OE2 GLU 67 -2.947 -14.115 -10.316 1.00 0.00 ATOM 514 O GLU 67 -4.140 -9.299 -8.109 1.00 0.00 ATOM 515 C GLU 67 -3.218 -9.965 -7.648 1.00 0.00 ATOM 516 N LYS 68 -3.222 -10.456 -6.417 1.00 0.00 ATOM 517 CA LYS 68 -4.339 -10.244 -5.510 1.00 0.00 ATOM 518 CB LYS 68 -4.117 -11.032 -4.221 1.00 0.00 ATOM 519 CG LYS 68 -5.320 -11.041 -3.296 1.00 0.00 ATOM 520 CD LYS 68 -5.212 -12.150 -2.265 1.00 0.00 ATOM 521 CE LYS 68 -3.945 -12.027 -1.436 1.00 0.00 ATOM 522 NZ LYS 68 -3.727 -13.216 -0.574 1.00 0.00 ATOM 523 O LYS 68 -5.623 -8.240 -5.228 1.00 0.00 ATOM 524 C LYS 68 -4.510 -8.761 -5.206 1.00 0.00 ATOM 525 N GLY 69 -3.398 -8.084 -4.938 1.00 0.00 ATOM 526 CA GLY 69 -3.441 -6.657 -4.679 1.00 0.00 ATOM 527 O GLY 69 -4.676 -4.958 -5.823 1.00 0.00 ATOM 528 C GLY 69 -3.860 -5.877 -5.908 1.00 0.00 ATOM 529 N GLU 70 -3.313 -6.263 -7.055 1.00 0.00 ATOM 530 CA GLU 70 -3.643 -5.632 -8.325 1.00 0.00 ATOM 531 CB GLU 70 -2.763 -6.225 -9.427 1.00 0.00 ATOM 532 CG GLU 70 -2.985 -5.602 -10.789 1.00 0.00 ATOM 533 CD GLU 70 -2.503 -4.172 -10.875 1.00 0.00 ATOM 534 OE1 GLU 70 -3.245 -3.266 -10.448 1.00 0.00 ATOM 535 OE2 GLU 70 -1.397 -3.949 -11.410 1.00 0.00 ATOM 536 O GLU 70 -5.825 -4.897 -9.034 1.00 0.00 ATOM 537 C GLU 70 -5.124 -5.836 -8.659 1.00 0.00 ATOM 538 N ASN 71 -5.594 -7.071 -8.505 1.00 0.00 ATOM 539 CA ASN 71 -6.997 -7.409 -8.759 1.00 0.00 ATOM 540 CB ASN 71 -7.226 -8.918 -8.614 1.00 0.00 ATOM 541 CG ASN 71 -6.794 -9.723 -9.831 1.00 0.00 ATOM 542 ND2 ASN 71 -5.824 -9.218 -10.578 1.00 0.00 ATOM 543 OD1 ASN 71 -7.328 -10.804 -10.091 1.00 0.00 ATOM 544 O ASN 71 -9.024 -6.271 -8.153 1.00 0.00 ATOM 545 C ASN 71 -7.912 -6.664 -7.797 1.00 0.00 ATOM 546 N TYR 72 -7.431 -6.471 -6.578 1.00 0.00 ATOM 547 CA TYR 72 -8.182 -5.761 -5.554 1.00 0.00 ATOM 548 CB TYR 72 -7.422 -5.809 -4.227 1.00 0.00 ATOM 549 CG TYR 72 -8.172 -5.200 -3.067 1.00 0.00 ATOM 550 CD1 TYR 72 -9.333 -5.787 -2.585 1.00 0.00 ATOM 551 CD2 TYR 72 -7.713 -4.044 -2.449 1.00 0.00 ATOM 552 CE1 TYR 72 -10.016 -5.240 -1.519 1.00 0.00 ATOM 553 CE2 TYR 72 -8.393 -3.490 -1.382 1.00 0.00 ATOM 554 CZ TYR 72 -9.543 -4.093 -0.922 1.00 0.00 ATOM 555 OH TYR 72 -10.220 -3.554 0.145 1.00 0.00 ATOM 556 O TYR 72 -9.512 -3.766 -5.741 1.00 0.00 ATOM 557 C TYR 72 -8.435 -4.318 -5.979 1.00 0.00 ATOM 558 N LEU 73 -7.444 -3.721 -6.633 1.00 0.00 ATOM 559 CA LEU 73 -7.562 -2.356 -7.131 1.00 0.00 ATOM 560 CB LEU 73 -6.243 -1.886 -7.745 1.00 0.00 ATOM 561 CG LEU 73 -5.033 -1.917 -6.814 1.00 0.00 ATOM 562 CD1 LEU 73 -3.793 -1.431 -7.545 1.00 0.00 ATOM 563 CD2 LEU 73 -5.286 -1.068 -5.583 1.00 0.00 ATOM 564 O LEU 73 -9.344 -1.253 -8.289 1.00 0.00 ATOM 565 C LEU 73 -8.658 -2.263 -8.181 1.00 0.00 ATOM 566 N LYS 74 -8.824 -3.328 -8.948 1.00 0.00 ATOM 567 CA LYS 74 -9.804 -3.341 -10.022 1.00 0.00 ATOM 568 CB LYS 74 -9.621 -4.579 -10.904 1.00 0.00 ATOM 569 CG LYS 74 -8.174 -4.868 -11.281 1.00 0.00 ATOM 570 CD LYS 74 -7.508 -3.684 -11.966 1.00 0.00 ATOM 571 CE LYS 74 -6.066 -4.001 -12.336 1.00 0.00 ATOM 572 NZ LYS 74 -5.362 -2.822 -12.909 1.00 0.00 ATOM 573 O LYS 74 -12.115 -2.686 -10.013 1.00 0.00 ATOM 574 C LYS 74 -11.221 -3.320 -9.453 1.00 0.00 ATOM 575 N GLU 75 -11.410 -4.004 -8.330 1.00 0.00 ATOM 576 CA GLU 75 -12.731 -4.129 -7.721 1.00 0.00 ATOM 577 CB GLU 75 -12.819 -5.429 -6.920 1.00 0.00 ATOM 578 CG GLU 75 -12.469 -6.668 -7.730 1.00 0.00 ATOM 579 CD GLU 75 -13.384 -6.876 -8.923 1.00 0.00 ATOM 580 OE1 GLU 75 -14.195 -7.825 -8.896 1.00 0.00 ATOM 581 OE2 GLU 75 -13.296 -6.098 -9.893 1.00 0.00 ATOM 582 O GLU 75 -14.129 -2.357 -6.884 1.00 0.00 ATOM 583 C GLU 75 -13.042 -2.934 -6.819 1.00 0.00 ATOM 584 N ASN 76 -12.076 -2.557 -5.990 1.00 0.00 ATOM 585 CA ASN 76 -12.269 -1.475 -5.026 1.00 0.00 ATOM 586 CB ASN 76 -11.427 -1.730 -3.770 1.00 0.00 ATOM 587 CG ASN 76 -12.083 -1.196 -2.506 1.00 0.00 ATOM 588 ND2 ASN 76 -11.874 0.076 -2.212 1.00 0.00 ATOM 589 OD1 ASN 76 -12.788 -1.925 -1.807 1.00 0.00 ATOM 590 O ASN 76 -11.884 0.891 -4.975 1.00 0.00 ATOM 591 C ASN 76 -11.888 -0.138 -5.648 1.00 0.00 ATOM 592 N GLY 77 -11.572 -0.166 -6.939 1.00 0.00 ATOM 593 CA GLY 77 -11.165 1.035 -7.651 1.00 0.00 ATOM 594 O GLY 77 -11.951 3.260 -8.039 1.00 0.00 ATOM 595 C GLY 77 -12.238 2.106 -7.712 1.00 0.00 ATOM 596 N THR 78 -13.474 1.734 -7.408 1.00 0.00 ATOM 597 CA THR 78 -14.567 2.690 -7.375 1.00 0.00 ATOM 598 CB THR 78 -15.946 1.986 -7.493 1.00 0.00 ATOM 599 CG2 THR 78 -16.120 0.907 -6.428 1.00 0.00 ATOM 600 OG1 THR 78 -17.013 2.942 -7.399 1.00 0.00 ATOM 601 O THR 78 -15.316 3.472 -5.204 1.00 0.00 ATOM 602 C THR 78 -14.487 3.558 -6.111 1.00 0.00 ATOM 603 N TRP 79 -13.450 4.378 -6.054 1.00 0.00 ATOM 604 CA TRP 79 -13.253 5.301 -4.953 1.00 0.00 ATOM 605 CB TRP 79 -12.324 4.687 -3.891 1.00 0.00 ATOM 606 CG TRP 79 -12.354 5.407 -2.570 1.00 0.00 ATOM 607 CD1 TRP 79 -12.181 6.748 -2.352 1.00 0.00 ATOM 608 CD2 TRP 79 -12.561 4.820 -1.278 1.00 0.00 ATOM 609 CE2 TRP 79 -12.520 5.862 -0.332 1.00 0.00 ATOM 610 CE3 TRP 79 -12.782 3.515 -0.832 1.00 0.00 ATOM 611 NE1 TRP 79 -12.289 7.030 -1.013 1.00 0.00 ATOM 612 CZ2 TRP 79 -12.699 5.637 1.031 1.00 0.00 ATOM 613 CZ3 TRP 79 -12.957 3.292 0.521 1.00 0.00 ATOM 614 CH2 TRP 79 -12.915 4.349 1.438 1.00 0.00 ATOM 615 O TRP 79 -11.634 6.593 -6.168 1.00 0.00 ATOM 616 C TRP 79 -12.664 6.603 -5.489 1.00 0.00 ATOM 617 N SER 80 -13.332 7.713 -5.206 1.00 0.00 ATOM 618 CA SER 80 -12.860 9.019 -5.641 1.00 0.00 ATOM 619 CB SER 80 -13.948 10.078 -5.433 1.00 0.00 ATOM 620 OG SER 80 -13.522 11.349 -5.897 1.00 0.00 ATOM 621 O SER 80 -11.639 9.966 -3.794 1.00 0.00 ATOM 622 C SER 80 -11.585 9.411 -4.893 1.00 0.00 ATOM 623 N LYS 81 -10.439 9.101 -5.486 1.00 0.00 ATOM 624 CA LYS 81 -9.155 9.417 -4.883 1.00 0.00 ATOM 625 CB LYS 81 -8.770 8.319 -3.878 1.00 0.00 ATOM 626 CG LYS 81 -8.179 8.838 -2.571 1.00 0.00 ATOM 627 CD LYS 81 -6.786 9.426 -2.750 1.00 0.00 ATOM 628 CE LYS 81 -6.215 9.913 -1.422 1.00 0.00 ATOM 629 NZ LYS 81 -4.806 10.372 -1.553 1.00 0.00 ATOM 630 O LYS 81 -7.773 8.570 -6.647 1.00 0.00 ATOM 631 C LYS 81 -8.086 9.545 -5.967 1.00 0.00 ATOM 632 N ALA 82 -7.585 10.768 -6.153 1.00 0.00 ATOM 633 CA ALA 82 -6.451 11.059 -7.044 1.00 0.00 ATOM 634 CB ALA 82 -5.265 10.159 -6.726 1.00 0.00 ATOM 635 O ALA 82 -6.268 11.767 -9.328 1.00 0.00 ATOM 636 C ALA 82 -6.793 10.985 -8.539 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1026944039.pdb -s /var/tmp/to_scwrl_1026944039.seq -o /var/tmp/from_scwrl_1026944039.pdb > /var/tmp/scwrl_1026944039.log sh: /var/tmp/scwrl_1026944039.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1026944039.pdb or /var/tmp/from_scwrl_1026944039.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1026944039_b.pdb or /var/tmp/from_scwrl_1026944039_b.pdb.gz for input Trying /var/tmp/from_scwrl_1026944039_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1026944039_b.pdb or /var/tmp/from_scwrl_1026944039_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1026944039_a.pdb or /var/tmp/from_scwrl_1026944039_a.pdb.gz for input Trying /var/tmp/from_scwrl_1026944039_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1026944039_a.pdb or /var/tmp/from_scwrl_1026944039_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1026944039.pdb or /var/tmp/from_scwrl_1026944039_b.pdb or /var/tmp/from_scwrl_1026944039_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -56.731 # GDT_score(maxd=8.000,maxw=2.900)= -55.916 # GDT_score(maxd=8.000,maxw=3.200)= -53.113 # GDT_score(maxd=8.000,maxw=3.500)= -50.479 # GDT_score(maxd=10.000,maxw=3.800)= -54.188 # GDT_score(maxd=10.000,maxw=4.000)= -52.471 # GDT_score(maxd=10.000,maxw=4.200)= -50.812 # GDT_score(maxd=12.000,maxw=4.300)= -54.913 # GDT_score(maxd=12.000,maxw=4.500)= -53.224 # GDT_score(maxd=12.000,maxw=4.700)= -51.532 # GDT_score(maxd=14.000,maxw=5.200)= -51.410 # GDT_score(maxd=14.000,maxw=5.500)= -49.236 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_370145840.pdb -s /var/tmp/to_scwrl_370145840.seq -o /var/tmp/from_scwrl_370145840.pdb > /var/tmp/scwrl_370145840.log sh: /var/tmp/scwrl_370145840.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_370145840.pdb or /var/tmp/from_scwrl_370145840.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_370145840_b.pdb or /var/tmp/from_scwrl_370145840_b.pdb.gz for input Trying /var/tmp/from_scwrl_370145840_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_370145840_b.pdb or /var/tmp/from_scwrl_370145840_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_370145840_a.pdb or /var/tmp/from_scwrl_370145840_a.pdb.gz for input Trying /var/tmp/from_scwrl_370145840_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_370145840_a.pdb or /var/tmp/from_scwrl_370145840_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_370145840.pdb or /var/tmp/from_scwrl_370145840_b.pdb or /var/tmp/from_scwrl_370145840_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 78 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -52.885 # GDT_score(maxd=8.000,maxw=2.900)= -51.110 # GDT_score(maxd=8.000,maxw=3.200)= -48.528 # GDT_score(maxd=8.000,maxw=3.500)= -46.086 # GDT_score(maxd=10.000,maxw=3.800)= -50.569 # GDT_score(maxd=10.000,maxw=4.000)= -48.904 # GDT_score(maxd=10.000,maxw=4.200)= -47.308 # GDT_score(maxd=12.000,maxw=4.300)= -51.753 # GDT_score(maxd=12.000,maxw=4.500)= -50.115 # GDT_score(maxd=12.000,maxw=4.700)= -48.546 # GDT_score(maxd=14.000,maxw=5.200)= -48.771 # GDT_score(maxd=14.000,maxw=5.500)= -46.740 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_988070039.pdb -s /var/tmp/to_scwrl_988070039.seq -o /var/tmp/from_scwrl_988070039.pdb > /var/tmp/scwrl_988070039.log sh: /var/tmp/scwrl_988070039.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_988070039.pdb or /var/tmp/from_scwrl_988070039.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_988070039_b.pdb or /var/tmp/from_scwrl_988070039_b.pdb.gz for input Trying /var/tmp/from_scwrl_988070039_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_988070039_b.pdb or /var/tmp/from_scwrl_988070039_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_988070039_a.pdb or /var/tmp/from_scwrl_988070039_a.pdb.gz for input Trying /var/tmp/from_scwrl_988070039_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_988070039_a.pdb or /var/tmp/from_scwrl_988070039_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_988070039.pdb or /var/tmp/from_scwrl_988070039_b.pdb or /var/tmp/from_scwrl_988070039_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 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.808 # GDT_score = -58.974 # GDT_score(maxd=8.000,maxw=2.900)= -59.227 # GDT_score(maxd=8.000,maxw=3.200)= -57.174 # GDT_score(maxd=8.000,maxw=3.500)= -55.117 # GDT_score(maxd=10.000,maxw=3.800)= -57.390 # GDT_score(maxd=10.000,maxw=4.000)= -56.066 # GDT_score(maxd=10.000,maxw=4.200)= -54.621 # GDT_score(maxd=12.000,maxw=4.300)= -57.329 # GDT_score(maxd=12.000,maxw=4.500)= -55.892 # GDT_score(maxd=12.000,maxw=4.700)= -54.452 # GDT_score(maxd=14.000,maxw=5.200)= -53.744 # GDT_score(maxd=14.000,maxw=5.500)= -51.689 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_535868538.pdb -s /var/tmp/to_scwrl_535868538.seq -o /var/tmp/from_scwrl_535868538.pdb > /var/tmp/scwrl_535868538.log sh: /var/tmp/scwrl_535868538.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_535868538.pdb or /var/tmp/from_scwrl_535868538.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_535868538_b.pdb or /var/tmp/from_scwrl_535868538_b.pdb.gz for input Trying /var/tmp/from_scwrl_535868538_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_535868538_b.pdb or /var/tmp/from_scwrl_535868538_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_535868538_a.pdb or /var/tmp/from_scwrl_535868538_a.pdb.gz for input Trying /var/tmp/from_scwrl_535868538_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_535868538_a.pdb or /var/tmp/from_scwrl_535868538_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_535868538.pdb or /var/tmp/from_scwrl_535868538_b.pdb or /var/tmp/from_scwrl_535868538_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 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.846 # GDT_score = -57.051 # GDT_score(maxd=8.000,maxw=2.900)= -59.508 # GDT_score(maxd=8.000,maxw=3.200)= -56.532 # GDT_score(maxd=8.000,maxw=3.500)= -53.610 # GDT_score(maxd=10.000,maxw=3.800)= -56.112 # GDT_score(maxd=10.000,maxw=4.000)= -54.254 # GDT_score(maxd=10.000,maxw=4.200)= -52.526 # GDT_score(maxd=12.000,maxw=4.300)= -55.771 # GDT_score(maxd=12.000,maxw=4.500)= -54.086 # GDT_score(maxd=12.000,maxw=4.700)= -52.414 # GDT_score(maxd=14.000,maxw=5.200)= -51.684 # GDT_score(maxd=14.000,maxw=5.500)= -49.468 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1007953374.pdb -s /var/tmp/to_scwrl_1007953374.seq -o /var/tmp/from_scwrl_1007953374.pdb > /var/tmp/scwrl_1007953374.log sh: /var/tmp/scwrl_1007953374.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1007953374.pdb or /var/tmp/from_scwrl_1007953374.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1007953374_b.pdb or /var/tmp/from_scwrl_1007953374_b.pdb.gz for input Trying /var/tmp/from_scwrl_1007953374_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1007953374_b.pdb or /var/tmp/from_scwrl_1007953374_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1007953374_a.pdb or /var/tmp/from_scwrl_1007953374_a.pdb.gz for input Trying /var/tmp/from_scwrl_1007953374_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1007953374_a.pdb or /var/tmp/from_scwrl_1007953374_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1007953374.pdb or /var/tmp/from_scwrl_1007953374_b.pdb or /var/tmp/from_scwrl_1007953374_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 T0327.try1-opt2.pdb looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -58.013 # GDT_score(maxd=8.000,maxw=2.900)= -58.485 # GDT_score(maxd=8.000,maxw=3.200)= -55.311 # GDT_score(maxd=8.000,maxw=3.500)= -52.397 # GDT_score(maxd=10.000,maxw=3.800)= -56.364 # GDT_score(maxd=10.000,maxw=4.000)= -54.511 # GDT_score(maxd=10.000,maxw=4.200)= -52.706 # GDT_score(maxd=12.000,maxw=4.300)= -56.967 # GDT_score(maxd=12.000,maxw=4.500)= -55.141 # GDT_score(maxd=12.000,maxw=4.700)= -53.356 # GDT_score(maxd=14.000,maxw=5.200)= -53.135 # GDT_score(maxd=14.000,maxw=5.500)= -50.866 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0327.try1-real.pdb for output Error: Couldn't open file T0327.try1-real.pdb for output superimposing iter= 0 total_weight= 948 rmsd (weighted)= 5.24096 (unweighted)= 21.1275 superimposing iter= 1 total_weight= 2171.02 rmsd (weighted)= 2.58576 (unweighted)= 20.5577 superimposing iter= 2 total_weight= 1155.24 rmsd (weighted)= 1.86529 (unweighted)= 20.4057 superimposing iter= 3 total_weight= 837.796 rmsd (weighted)= 1.60105 (unweighted)= 20.3053 superimposing iter= 4 total_weight= 778.433 rmsd (weighted)= 1.429 (unweighted)= 20.2306 superimposing iter= 5 total_weight= 745.134 rmsd (weighted)= 1.30479 (unweighted)= 20.1861 EXPDTA T0327.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0327.try1-opt2.pdb ATOM 1 N MET A 1 -8.710 -3.331 -5.276 1.00 0.00 ATOM 2 CA MET A 1 -8.324 -2.665 -4.007 1.00 0.00 ATOM 3 CB MET A 1 -7.528 -1.439 -4.293 1.00 0.00 ATOM 4 CG MET A 1 -8.117 -0.390 -5.198 1.00 0.00 ATOM 5 SD MET A 1 -6.864 0.812 -5.699 1.00 0.00 ATOM 6 CE MET A 1 -7.747 1.602 -7.030 1.00 0.00 ATOM 7 O MET A 1 -10.610 -2.986 -3.399 1.00 0.00 ATOM 8 C MET A 1 -9.497 -2.585 -3.065 1.00 0.00 ATOM 9 N ASN A 2 -9.217 -2.055 -1.824 1.00 0.00 ATOM 10 CA ASN A 2 -10.230 -2.009 -0.784 1.00 0.00 ATOM 11 CB ASN A 2 -9.564 -2.062 0.593 1.00 0.00 ATOM 12 CG ASN A 2 -8.684 -3.279 0.760 1.00 0.00 ATOM 13 ND2 ASN A 2 -7.451 -3.065 1.199 1.00 0.00 ATOM 14 OD1 ASN A 2 -9.110 -4.401 0.499 1.00 0.00 ATOM 15 O ASN A 2 -10.719 0.284 -1.341 1.00 0.00 ATOM 16 C ASN A 2 -11.120 -0.774 -0.857 1.00 0.00 ATOM 17 N LYS A 3 -12.329 -0.929 -0.309 1.00 0.00 ATOM 18 CA LYS A 3 -13.303 0.150 -0.290 1.00 0.00 ATOM 19 CB LYS A 3 -14.664 -0.366 0.179 1.00 0.00 ATOM 20 CG LYS A 3 -15.359 -1.280 -0.818 1.00 0.00 ATOM 21 CD LYS A 3 -16.702 -1.757 -0.287 1.00 0.00 ATOM 22 CE LYS A 3 -17.396 -2.671 -1.285 1.00 0.00 ATOM 23 NZ LYS A 3 -18.700 -3.170 -0.765 1.00 0.00 ATOM 24 O LYS A 3 -13.425 2.443 0.367 1.00 0.00 ATOM 25 C LYS A 3 -12.983 1.319 0.625 1.00 0.00 ATOM 26 N ASP A 4 -12.294 1.045 1.732 1.00 0.00 ATOM 27 CA ASP A 4 -11.924 2.075 2.700 1.00 0.00 ATOM 28 CB ASP A 4 -11.511 1.927 3.902 1.00 0.00 ATOM 29 CG ASP A 4 -10.705 3.116 4.399 1.00 0.00 ATOM 30 OD1 ASP A 4 -11.172 4.264 4.253 1.00 0.00 ATOM 31 OD2 ASP A 4 -9.602 2.895 4.937 1.00 0.00 ATOM 32 O ASP A 4 -10.328 2.907 1.106 1.00 0.00 ATOM 33 C ASP A 4 -11.220 3.180 1.909 1.00 0.00 ATOM 34 N LYS A 5 -11.657 4.472 2.207 1.00 0.00 ATOM 35 CA LYS A 5 -11.086 5.619 1.491 1.00 0.00 ATOM 36 CB LYS A 5 -11.716 6.924 1.971 1.00 0.00 ATOM 37 CG LYS A 5 -13.207 7.026 1.728 1.00 0.00 ATOM 38 CD LYS A 5 -13.685 8.429 2.086 1.00 0.00 ATOM 39 CE LYS A 5 -15.208 8.521 2.057 1.00 0.00 ATOM 40 NZ LYS A 5 -15.823 8.074 0.761 1.00 0.00 ATOM 41 O LYS A 5 -8.891 5.963 0.631 1.00 0.00 ATOM 42 C LYS A 5 -9.579 5.719 1.636 1.00 0.00 ATOM 43 N LEU A 6 -9.060 5.542 2.844 1.00 0.00 ATOM 44 CA LEU A 6 -7.615 5.707 3.034 1.00 0.00 ATOM 45 CB LEU A 6 -7.219 5.590 4.479 1.00 0.00 ATOM 46 CG LEU A 6 -7.533 6.851 5.306 1.00 0.00 ATOM 47 CD1 LEU A 6 -7.296 6.599 6.781 1.00 0.00 ATOM 48 CD2 LEU A 6 -6.672 8.019 4.805 1.00 0.00 ATOM 49 O LEU A 6 -5.870 4.886 1.613 1.00 0.00 ATOM 50 C LEU A 6 -6.836 4.608 2.323 1.00 0.00 ATOM 51 N ARG A 7 -7.235 3.339 2.506 1.00 0.00 ATOM 52 CA ARG A 7 -6.538 2.235 1.858 1.00 0.00 ATOM 53 CB ARG A 7 -7.185 0.910 2.267 1.00 0.00 ATOM 54 CG ARG A 7 -6.905 0.499 3.703 1.00 0.00 ATOM 55 CD ARG A 7 -7.316 -0.942 3.957 1.00 0.00 ATOM 56 NE ARG A 7 -8.758 -1.132 3.822 1.00 0.00 ATOM 57 CZ ARG A 7 -9.631 -0.948 4.808 1.00 0.00 ATOM 58 NH1 ARG A 7 -10.923 -1.145 4.593 1.00 0.00 ATOM 59 NH2 ARG A 7 -9.208 -0.568 6.005 1.00 0.00 ATOM 60 O ARG A 7 -5.709 1.973 -0.378 1.00 0.00 ATOM 61 C ARG A 7 -6.650 2.307 0.337 1.00 0.00 ATOM 62 N TYR A 8 -7.780 2.745 -0.145 1.00 0.00 ATOM 63 CA TYR A 8 -7.991 2.920 -1.581 1.00 0.00 ATOM 64 CB TYR A 8 -9.417 3.396 -1.859 1.00 0.00 ATOM 65 CG TYR A 8 -9.713 3.618 -3.325 1.00 0.00 ATOM 66 CD1 TYR A 8 -9.978 2.547 -4.168 1.00 0.00 ATOM 67 CD2 TYR A 8 -9.729 4.900 -3.862 1.00 0.00 ATOM 68 CE1 TYR A 8 -10.249 2.740 -5.510 1.00 0.00 ATOM 69 CE2 TYR A 8 -9.998 5.113 -5.200 1.00 0.00 ATOM 70 CZ TYR A 8 -10.260 4.020 -6.024 1.00 0.00 ATOM 71 OH TYR A 8 -10.530 4.215 -7.359 1.00 0.00 ATOM 72 O TYR A 8 -6.382 3.751 -3.162 1.00 0.00 ATOM 73 C TYR A 8 -7.007 3.955 -2.119 1.00 0.00 ATOM 74 N ALA A 9 -6.863 5.051 -1.397 1.00 0.00 ATOM 75 CA ALA A 9 -5.938 6.099 -1.814 1.00 0.00 ATOM 76 CB ALA A 9 -6.021 7.281 -0.859 1.00 0.00 ATOM 77 O ALA A 9 -3.729 5.946 -2.728 1.00 0.00 ATOM 78 C ALA A 9 -4.500 5.609 -1.829 1.00 0.00 ATOM 79 N ILE A 10 -4.158 4.813 -0.848 1.00 0.00 ATOM 80 CA ILE A 10 -2.805 4.262 -0.764 1.00 0.00 ATOM 81 CB ILE A 10 -2.590 3.610 0.615 1.00 0.00 ATOM 82 CG1 ILE A 10 -2.612 4.670 1.705 1.00 0.00 ATOM 83 CG2 ILE A 10 -1.268 2.789 0.599 1.00 0.00 ATOM 84 CD1 ILE A 10 -2.737 4.048 3.088 1.00 0.00 ATOM 85 O ILE A 10 -1.474 3.250 -2.474 1.00 0.00 ATOM 86 C ILE A 10 -2.563 3.303 -1.924 1.00 0.00 ATOM 87 N LEU A 11 -3.570 2.515 -2.290 1.00 0.00 ATOM 88 CA LEU A 11 -3.392 1.579 -3.391 1.00 0.00 ATOM 89 CB LEU A 11 -4.653 0.749 -3.576 1.00 0.00 ATOM 90 CG LEU A 11 -4.861 -0.279 -2.465 1.00 0.00 ATOM 91 CD1 LEU A 11 -6.306 -0.750 -2.474 1.00 0.00 ATOM 92 CD2 LEU A 11 -3.929 -1.448 -2.572 1.00 0.00 ATOM 93 O LEU A 11 -2.233 1.877 -5.447 1.00 0.00 ATOM 94 C LEU A 11 -3.057 2.343 -4.676 1.00 0.00 ATOM 95 N LYS A 12 -3.742 3.480 -4.912 1.00 0.00 ATOM 96 CA LYS A 12 -3.430 4.290 -6.070 1.00 0.00 ATOM 97 CB LYS A 12 -4.259 5.523 -6.141 1.00 0.00 ATOM 98 CG LYS A 12 -5.644 5.243 -6.724 1.00 0.00 ATOM 99 CD LYS A 12 -6.509 6.492 -6.658 1.00 0.00 ATOM 100 CE LYS A 12 -7.845 6.288 -7.356 1.00 0.00 ATOM 101 NZ LYS A 12 -8.824 7.346 -6.963 1.00 0.00 ATOM 102 O LYS A 12 -1.278 4.758 -7.025 1.00 0.00 ATOM 103 C LYS A 12 -1.986 4.788 -6.023 1.00 0.00 ATOM 104 N GLU A 13 -1.537 5.234 -4.845 1.00 0.00 ATOM 105 CA GLU A 13 -0.174 5.718 -4.678 1.00 0.00 ATOM 106 CB GLU A 13 0.038 6.218 -3.247 1.00 0.00 ATOM 107 CG GLU A 13 1.420 6.797 -2.992 1.00 0.00 ATOM 108 CD GLU A 13 1.575 7.335 -1.582 1.00 0.00 ATOM 109 OE1 GLU A 13 0.593 7.271 -0.812 1.00 0.00 ATOM 110 OE2 GLU A 13 2.676 7.818 -1.248 1.00 0.00 ATOM 111 O GLU A 13 1.825 4.792 -5.650 1.00 0.00 ATOM 112 C GLU A 13 0.822 4.600 -4.951 1.00 0.00 ATOM 113 N ILE A 14 0.526 3.424 -4.401 1.00 0.00 ATOM 114 CA ILE A 14 1.399 2.261 -4.529 1.00 0.00 ATOM 115 CB ILE A 14 1.073 1.191 -3.469 1.00 0.00 ATOM 116 CG1 ILE A 14 2.260 0.243 -3.286 1.00 0.00 ATOM 117 CG2 ILE A 14 -0.137 0.374 -3.892 1.00 0.00 ATOM 118 CD1 ILE A 14 3.484 0.903 -2.693 1.00 0.00 ATOM 119 O ILE A 14 2.275 0.814 -6.222 1.00 0.00 ATOM 120 C ILE A 14 1.336 1.524 -5.862 1.00 0.00 ATOM 121 N PHE A 15 0.222 1.658 -6.570 1.00 0.00 ATOM 122 CA PHE A 15 0.042 0.966 -7.843 1.00 0.00 ATOM 123 CB PHE A 15 -0.973 1.834 -8.837 1.00 0.00 ATOM 124 CG PHE A 15 -1.826 1.013 -9.820 1.00 0.00 ATOM 125 CD1 PHE A 15 -3.031 0.485 -9.434 1.00 0.00 ATOM 126 CD2 PHE A 15 -1.338 0.800 -11.087 1.00 0.00 ATOM 127 CE1 PHE A 15 -3.778 -0.277 -10.347 1.00 0.00 ATOM 128 CE2 PHE A 15 -2.076 0.043 -12.002 1.00 0.00 ATOM 129 CZ PHE A 15 -3.285 -0.477 -11.605 1.00 0.00 ATOM 130 O PHE A 15 1.712 0.400 -9.479 1.00 0.00 ATOM 131 C PHE A 15 1.117 1.301 -8.893 1.00 0.00 ATOM 132 N GLU A 16 1.387 2.597 -9.133 1.00 0.00 ATOM 133 CA GLU A 16 2.405 2.969 -10.125 1.00 0.00 ATOM 134 CB GLU A 16 2.354 4.693 -9.948 1.00 0.00 ATOM 135 CG GLU A 16 3.464 5.070 -8.969 1.00 0.00 ATOM 136 CD GLU A 16 3.471 6.563 -8.706 1.00 0.00 ATOM 137 OE1 GLU A 16 2.621 7.040 -7.922 1.00 0.00 ATOM 138 OE2 GLU A 16 4.303 7.274 -9.303 1.00 0.00 ATOM 139 O GLU A 16 4.654 2.192 -10.518 1.00 0.00 ATOM 140 C GLU A 16 3.729 2.301 -9.715 1.00 0.00 ATOM 141 N GLY A 17 3.938 1.702 -8.365 1.00 0.00 ATOM 142 CA GLY A 17 5.167 1.074 -7.901 1.00 0.00 ATOM 143 O GLY A 17 5.603 0.137 -5.744 1.00 0.00 ATOM 144 C GLY A 17 5.743 1.103 -6.493 1.00 0.00 ATOM 145 N ASN A 18 6.398 2.197 -6.126 1.00 0.00 ATOM 146 CA ASN A 18 6.992 2.290 -4.794 1.00 0.00 ATOM 147 CB ASN A 18 8.374 1.635 -4.775 1.00 0.00 ATOM 148 CG ASN A 18 9.351 2.309 -5.718 1.00 0.00 ATOM 149 ND2 ASN A 18 9.701 1.619 -6.798 1.00 0.00 ATOM 150 OD1 ASN A 18 9.784 3.435 -5.476 1.00 0.00 ATOM 151 O ASN A 18 7.195 4.646 -5.143 1.00 0.00 ATOM 152 C ASN A 18 7.158 3.728 -4.331 1.00 0.00 ATOM 153 N THR A 19 7.254 3.914 -3.021 1.00 0.00 ATOM 154 CA THR A 19 7.431 5.246 -2.460 1.00 0.00 ATOM 155 CB THR A 19 6.117 6.048 -2.467 1.00 0.00 ATOM 156 CG2 THR A 19 5.087 5.390 -1.561 1.00 0.00 ATOM 157 OG1 THR A 19 6.363 7.380 -2.000 1.00 0.00 ATOM 158 O THR A 19 7.678 4.143 -0.347 1.00 0.00 ATOM 159 C THR A 19 7.907 5.150 -1.021 1.00 0.00 ATOM 160 N PRO A 20 8.646 6.167 -0.548 1.00 0.00 ATOM 161 CA PRO A 20 9.110 6.119 0.837 1.00 0.00 ATOM 162 CB PRO A 20 10.022 7.341 0.964 1.00 0.00 ATOM 163 CG PRO A 20 10.418 7.658 -0.439 1.00 0.00 ATOM 164 CD PRO A 20 9.225 7.334 -1.293 1.00 0.00 ATOM 165 O PRO A 20 6.932 6.796 1.505 1.00 0.00 ATOM 166 C PRO A 20 7.923 6.151 1.795 1.00 0.00 ATOM 167 N LEU A 21 8.030 5.457 2.913 1.00 0.00 ATOM 168 CA LEU A 21 6.957 5.470 3.905 1.00 0.00 ATOM 169 CB LEU A 21 7.440 4.739 5.160 1.00 0.00 ATOM 170 CG LEU A 21 6.444 4.644 6.316 1.00 0.00 ATOM 171 CD1 LEU A 21 5.218 3.843 5.905 1.00 0.00 ATOM 172 CD2 LEU A 21 7.077 3.960 7.517 1.00 0.00 ATOM 173 O LEU A 21 5.443 7.199 4.602 1.00 0.00 ATOM 174 C LEU A 21 6.609 6.887 4.354 1.00 0.00 ATOM 175 N SER A 22 7.601 7.738 4.435 1.00 0.00 ATOM 176 CA SER A 22 7.399 9.122 4.856 1.00 0.00 ATOM 177 CB SER A 22 8.755 9.772 5.173 1.00 0.00 ATOM 178 OG SER A 22 9.500 9.966 3.985 1.00 0.00 ATOM 179 O SER A 22 6.003 10.973 4.172 1.00 0.00 ATOM 180 C SER A 22 6.573 9.922 3.827 1.00 0.00 ATOM 181 N GLU A 23 6.501 9.469 2.572 1.00 0.00 ATOM 182 CA GLU A 23 5.691 10.167 1.573 1.00 0.00 ATOM 183 CB GLU A 23 5.931 9.574 0.184 1.00 0.00 ATOM 184 CG GLU A 23 7.325 9.827 -0.366 1.00 0.00 ATOM 185 CD GLU A 23 7.627 11.304 -0.531 1.00 0.00 ATOM 186 OE1 GLU A 23 6.836 12.002 -1.199 1.00 0.00 ATOM 187 OE2 GLU A 23 8.656 11.763 0.010 1.00 0.00 ATOM 188 O GLU A 23 3.474 11.053 1.856 1.00 0.00 ATOM 189 C GLU A 23 4.199 10.060 1.891 1.00 0.00 ATOM 190 N ASN A 24 2.301 11.516 3.541 1.00 0.00 ATOM 191 CA ASN A 24 1.958 12.899 3.239 1.00 0.00 ATOM 192 CB ASN A 24 3.210 13.690 2.849 1.00 0.00 ATOM 193 CG ASN A 24 4.110 13.977 4.034 1.00 0.00 ATOM 194 ND2 ASN A 24 5.371 14.289 3.756 1.00 0.00 ATOM 195 OD1 ASN A 24 3.675 13.919 5.185 1.00 0.00 ATOM 196 O ASN A 24 -0.033 13.783 2.245 1.00 0.00 ATOM 197 C ASN A 24 0.961 13.082 2.091 1.00 0.00 ATOM 198 N ASP A 25 1.208 12.445 0.951 1.00 0.00 ATOM 199 CA ASP A 25 0.310 12.613 -0.189 1.00 0.00 ATOM 200 CB ASP A 25 0.866 11.895 -1.419 1.00 0.00 ATOM 201 CG ASP A 25 2.065 12.605 -2.016 1.00 0.00 ATOM 202 OD1 ASP A 25 2.315 13.769 -1.638 1.00 0.00 ATOM 203 OD2 ASP A 25 2.755 11.999 -2.862 1.00 0.00 ATOM 204 O ASP A 25 -2.089 12.649 -0.431 1.00 0.00 ATOM 205 C ASP A 25 -1.108 12.062 0.038 1.00 0.00 ATOM 206 N ILE A 26 -1.228 10.956 0.767 1.00 0.00 ATOM 207 CA ILE A 26 -2.543 10.371 1.030 1.00 0.00 ATOM 208 CB ILE A 26 -2.470 8.835 1.120 1.00 0.00 ATOM 209 CG1 ILE A 26 -1.613 8.412 2.315 1.00 0.00 ATOM 210 CG2 ILE A 26 -1.853 8.257 -0.144 1.00 0.00 ATOM 211 CD1 ILE A 26 -1.662 6.929 2.607 1.00 0.00 ATOM 212 O ILE A 26 -4.317 10.656 2.589 1.00 0.00 ATOM 213 C ILE A 26 -3.182 10.976 2.280 1.00 0.00 ATOM 214 N GLY A 27 -2.414 11.846 2.998 1.00 0.00 ATOM 215 CA GLY A 27 -2.968 12.481 4.198 1.00 0.00 ATOM 216 O GLY A 27 -4.249 11.703 6.060 1.00 0.00 ATOM 217 C GLY A 27 -3.245 11.548 5.361 1.00 0.00 ATOM 218 N VAL A 28 -2.369 10.550 5.549 1.00 0.00 ATOM 219 CA VAL A 28 -2.539 9.591 6.636 1.00 0.00 ATOM 220 CB VAL A 28 -2.302 8.189 6.044 1.00 0.00 ATOM 221 CG1 VAL A 28 -2.411 7.128 7.128 1.00 0.00 ATOM 222 CG2 VAL A 28 -3.334 7.885 4.968 1.00 0.00 ATOM 223 O VAL A 28 -0.368 10.237 7.473 1.00 0.00 ATOM 224 C VAL A 28 -1.508 9.823 7.739 1.00 0.00 ATOM 225 N THR A 29 -1.901 9.541 8.977 1.00 0.00 ATOM 226 CA THR A 29 -0.961 9.570 10.075 1.00 0.00 ATOM 227 CB THR A 29 -1.691 9.472 11.427 1.00 0.00 ATOM 228 CG2 THR A 29 -2.773 10.536 11.528 1.00 0.00 ATOM 229 OG1 THR A 29 -2.298 8.180 11.554 1.00 0.00 ATOM 230 O THR A 29 -0.234 7.375 9.392 1.00 0.00 ATOM 231 C THR A 29 0.065 8.437 9.945 1.00 0.00 ATOM 232 N GLU A 30 1.292 8.651 10.442 1.00 0.00 ATOM 233 CA GLU A 30 2.312 7.602 10.347 1.00 0.00 ATOM 234 CB GLU A 30 3.603 8.046 11.036 1.00 0.00 ATOM 235 CG GLU A 30 4.358 9.139 10.296 1.00 0.00 ATOM 236 CD GLU A 30 5.581 9.619 11.054 1.00 0.00 ATOM 237 OE1 GLU A 30 5.798 9.148 12.190 1.00 0.00 ATOM 238 OE2 GLU A 30 6.319 10.467 10.513 1.00 0.00 ATOM 239 O GLU A 30 2.174 5.211 10.566 1.00 0.00 ATOM 240 C GLU A 30 1.840 6.310 11.014 1.00 0.00 ATOM 241 N ASP A 31 1.075 6.461 12.095 1.00 0.00 ATOM 242 CA ASP A 31 0.558 5.316 12.835 1.00 0.00 ATOM 243 CB ASP A 31 -0.150 5.777 14.111 1.00 0.00 ATOM 244 CG ASP A 31 0.819 6.276 15.166 1.00 0.00 ATOM 245 OD1 ASP A 31 2.035 6.040 15.014 1.00 0.00 ATOM 246 OD2 ASP A 31 0.360 6.903 16.144 1.00 0.00 ATOM 247 O ASP A 31 -0.349 3.236 12.061 1.00 0.00 ATOM 248 C ASP A 31 -0.451 4.466 12.078 1.00 0.00 ATOM 249 N GLN A 32 -1.449 5.200 11.473 1.00 0.00 ATOM 250 CA GLN A 32 -2.461 4.480 10.718 1.00 0.00 ATOM 251 CB GLN A 32 -3.402 5.361 9.981 1.00 0.00 ATOM 252 CG GLN A 32 -4.350 6.107 10.865 1.00 0.00 ATOM 253 CD GLN A 32 -5.242 6.991 10.027 1.00 0.00 ATOM 254 OE1 GLN A 32 -4.765 7.905 9.328 1.00 0.00 ATOM 255 NE2 GLN A 32 -6.533 6.671 10.020 1.00 0.00 ATOM 256 O GLN A 32 -2.129 2.667 9.195 1.00 0.00 ATOM 257 C GLN A 32 -1.850 3.826 9.489 1.00 0.00 ATOM 258 N PHE A 33 -1.012 4.574 8.781 1.00 0.00 ATOM 259 CA PHE A 33 -0.362 4.056 7.589 1.00 0.00 ATOM 260 CB PHE A 33 0.440 5.148 6.889 1.00 0.00 ATOM 261 CG PHE A 33 0.917 4.776 5.513 1.00 0.00 ATOM 262 CD1 PHE A 33 2.181 4.222 5.328 1.00 0.00 ATOM 263 CD2 PHE A 33 0.105 4.984 4.399 1.00 0.00 ATOM 264 CE1 PHE A 33 2.631 3.875 4.055 1.00 0.00 ATOM 265 CE2 PHE A 33 0.547 4.639 3.120 1.00 0.00 ATOM 266 CZ PHE A 33 1.812 4.086 2.949 1.00 0.00 ATOM 267 O PHE A 33 0.413 1.777 7.238 1.00 0.00 ATOM 268 C PHE A 33 0.396 2.785 7.938 1.00 0.00 ATOM 269 N ASP A 34 1.134 2.836 9.083 1.00 0.00 ATOM 270 CA ASP A 34 1.924 1.678 9.507 1.00 0.00 ATOM 271 CB ASP A 34 2.592 1.983 10.850 1.00 0.00 ATOM 272 CG ASP A 34 3.762 2.937 10.714 1.00 0.00 ATOM 273 OD1 ASP A 34 4.200 3.181 9.570 1.00 0.00 ATOM 274 OD2 ASP A 34 4.241 3.440 11.752 1.00 0.00 ATOM 275 O ASP A 34 1.396 -0.655 9.267 1.00 0.00 ATOM 276 C ASP A 34 1.048 0.441 9.709 1.00 0.00 ATOM 277 N ASP A 35 -0.096 0.614 10.364 1.00 0.00 ATOM 278 CA ASP A 35 -0.993 -0.505 10.605 1.00 0.00 ATOM 279 CB ASP A 35 -2.176 -0.068 11.470 1.00 0.00 ATOM 280 CG ASP A 35 -1.786 0.167 12.917 1.00 0.00 ATOM 281 OD1 ASP A 35 -0.668 -0.233 13.302 1.00 0.00 ATOM 282 OD2 ASP A 35 -2.601 0.749 13.663 1.00 0.00 ATOM 283 O ASP A 35 -1.587 -2.332 9.123 1.00 0.00 ATOM 284 C ASP A 35 -1.526 -1.084 9.295 1.00 0.00 ATOM 285 N ALA A 36 -1.946 -0.220 8.371 1.00 0.00 ATOM 286 CA ALA A 36 -2.504 -0.689 7.124 1.00 0.00 ATOM 287 CB ALA A 36 -3.029 0.477 6.302 1.00 0.00 ATOM 288 O ALA A 36 -1.779 -2.388 5.601 1.00 0.00 ATOM 289 C ALA A 36 -1.450 -1.414 6.279 1.00 0.00 ATOM 290 N VAL A 37 -0.237 -0.876 6.320 1.00 0.00 ATOM 291 CA VAL A 37 0.875 -1.447 5.537 1.00 0.00 ATOM 292 CB VAL A 37 2.177 -0.865 5.580 1.00 0.00 ATOM 293 CG1 VAL A 37 2.110 0.418 4.763 1.00 0.00 ATOM 294 CG2 VAL A 37 2.669 -0.628 6.996 1.00 0.00 ATOM 295 O VAL A 37 1.395 -3.774 5.226 1.00 0.00 ATOM 296 C VAL A 37 1.143 -2.871 6.027 1.00 0.00 ATOM 297 N ASN A 38 1.082 -3.065 7.344 1.00 0.00 ATOM 298 CA ASN A 38 1.298 -4.384 7.943 1.00 0.00 ATOM 299 CB ASN A 38 1.224 -4.298 9.469 1.00 0.00 ATOM 300 CG ASN A 38 2.438 -3.622 10.075 1.00 0.00 ATOM 301 ND2 ASN A 38 2.294 -3.139 11.304 1.00 0.00 ATOM 302 OD1 ASN A 38 3.492 -3.538 9.444 1.00 0.00 ATOM 303 O ASN A 38 0.561 -6.497 7.055 1.00 0.00 ATOM 304 C ASN A 38 0.228 -5.357 7.454 1.00 0.00 ATOM 305 N PHE A 39 -1.012 -4.958 7.472 1.00 0.00 ATOM 306 CA PHE A 39 -2.103 -5.801 6.964 1.00 0.00 ATOM 307 CB PHE A 39 -3.442 -5.065 7.054 1.00 0.00 ATOM 308 CG PHE A 39 -4.610 -5.871 6.562 1.00 0.00 ATOM 309 CD1 PHE A 39 -5.185 -6.841 7.362 1.00 0.00 ATOM 310 CD2 PHE A 39 -5.134 -5.656 5.299 1.00 0.00 ATOM 311 CE1 PHE A 39 -6.260 -7.583 6.910 1.00 0.00 ATOM 312 CE2 PHE A 39 -6.210 -6.398 4.846 1.00 0.00 ATOM 313 CZ PHE A 39 -6.772 -7.357 5.646 1.00 0.00 ATOM 314 O PHE A 39 -1.948 -7.379 5.136 1.00 0.00 ATOM 315 C PHE A 39 -1.848 -6.204 5.505 1.00 0.00 ATOM 316 N LEU A 40 -1.520 -5.193 4.713 1.00 0.00 ATOM 317 CA LEU A 40 -1.277 -5.426 3.297 1.00 0.00 ATOM 318 CB LEU A 40 -1.008 -4.105 2.574 1.00 0.00 ATOM 319 CG LEU A 40 -2.198 -3.154 2.433 1.00 0.00 ATOM 320 CD1 LEU A 40 -1.753 -1.815 1.866 1.00 0.00 ATOM 321 CD2 LEU A 40 -3.247 -3.741 1.503 1.00 0.00 ATOM 322 O LEU A 40 -0.143 -7.275 2.229 1.00 0.00 ATOM 323 C LEU A 40 -0.085 -6.354 3.060 1.00 0.00 ATOM 324 N LYS A 41 0.990 -6.138 3.803 1.00 0.00 ATOM 325 CA LYS A 41 2.189 -6.950 3.655 1.00 0.00 ATOM 326 CB LYS A 41 3.364 -6.359 4.438 1.00 0.00 ATOM 327 CG LYS A 41 4.673 -7.110 4.254 1.00 0.00 ATOM 328 CD LYS A 41 5.814 -6.419 4.981 1.00 0.00 ATOM 329 CE LYS A 41 7.117 -7.184 4.817 1.00 0.00 ATOM 330 NZ LYS A 41 8.241 -6.530 5.543 1.00 0.00 ATOM 331 O LYS A 41 2.452 -9.320 3.423 1.00 0.00 ATOM 332 C LYS A 41 1.969 -8.396 4.080 1.00 0.00 ATOM 333 N ARG A 42 1.245 -8.601 5.204 1.00 0.00 ATOM 334 CA ARG A 42 0.982 -9.951 5.686 1.00 0.00 ATOM 335 CB ARG A 42 0.259 -9.928 7.022 1.00 0.00 ATOM 336 CG ARG A 42 1.147 -9.512 8.194 1.00 0.00 ATOM 337 CD ARG A 42 0.338 -9.508 9.485 1.00 0.00 ATOM 338 NE ARG A 42 1.046 -8.776 10.534 1.00 0.00 ATOM 339 CZ ARG A 42 1.120 -9.224 11.781 1.00 0.00 ATOM 340 NH1 ARG A 42 0.532 -10.382 12.083 1.00 0.00 ATOM 341 NH2 ARG A 42 1.758 -8.570 12.733 1.00 0.00 ATOM 342 O ARG A 42 0.232 -11.976 4.650 1.00 0.00 ATOM 343 C ARG A 42 0.199 -10.746 4.654 1.00 0.00 ATOM 344 N GLU A 43 -0.515 -10.042 3.782 1.00 0.00 ATOM 345 CA GLU A 43 -1.304 -10.700 2.754 1.00 0.00 ATOM 346 CB GLU A 43 -2.818 -10.526 3.046 1.00 0.00 ATOM 347 CG GLU A 43 -3.233 -11.112 4.400 1.00 0.00 ATOM 348 CD GLU A 43 -2.964 -12.599 4.487 1.00 0.00 ATOM 349 OE1 GLU A 43 -3.574 -13.359 3.691 1.00 0.00 ATOM 350 OE2 GLU A 43 -2.156 -13.030 5.329 1.00 0.00 ATOM 351 O GLU A 43 -1.129 -11.245 0.429 1.00 0.00 ATOM 352 C GLU A 43 -0.577 -10.749 1.415 1.00 0.00 ATOM 353 N GLY A 44 0.669 -10.238 1.382 1.00 0.00 ATOM 354 CA GLY A 44 1.431 -10.261 0.145 1.00 0.00 ATOM 355 O GLY A 44 1.425 -9.403 -2.080 1.00 0.00 ATOM 356 C GLY A 44 1.033 -9.253 -0.920 1.00 0.00 ATOM 357 N TYR A 45 0.279 -8.223 -0.537 1.00 0.00 ATOM 358 CA TYR A 45 -0.175 -7.198 -1.482 1.00 0.00 ATOM 359 CB TYR A 45 -1.545 -6.616 -1.056 1.00 0.00 ATOM 360 CG TYR A 45 -2.652 -7.622 -0.814 1.00 0.00 ATOM 361 CD1 TYR A 45 -2.609 -8.906 -1.361 1.00 0.00 ATOM 362 CD2 TYR A 45 -3.745 -7.284 -0.020 1.00 0.00 ATOM 363 CE1 TYR A 45 -3.625 -9.824 -1.120 1.00 0.00 ATOM 364 CE2 TYR A 45 -4.760 -8.192 0.226 1.00 0.00 ATOM 365 CZ TYR A 45 -4.695 -9.456 -0.322 1.00 0.00 ATOM 366 OH TYR A 45 -5.703 -10.355 -0.082 1.00 0.00 ATOM 367 O TYR A 45 1.144 -5.711 -2.801 1.00 0.00 ATOM 368 C TYR A 45 0.941 -6.178 -1.686 1.00 0.00 ATOM 369 N ILE A 46 1.655 -5.838 -0.651 1.00 0.00 ATOM 370 CA ILE A 46 2.753 -4.882 -0.776 1.00 0.00 ATOM 371 CB ILE A 46 2.386 -3.535 -0.127 1.00 0.00 ATOM 372 CG1 ILE A 46 2.063 -3.728 1.356 1.00 0.00 ATOM 373 CG2 ILE A 46 1.170 -2.928 -0.809 1.00 0.00 ATOM 374 CD1 ILE A 46 1.903 -2.432 2.120 1.00 0.00 ATOM 375 O ILE A 46 3.782 -6.457 0.716 1.00 0.00 ATOM 376 C ILE A 46 3.929 -5.472 -0.012 1.00 0.00 ATOM 377 N ILE A 47 5.096 -4.879 -0.202 1.00 0.00 ATOM 378 CA ILE A 47 6.292 -5.319 0.490 1.00 0.00 ATOM 379 CB ILE A 47 7.195 -6.118 -0.467 1.00 0.00 ATOM 380 CG1 ILE A 47 7.593 -5.258 -1.669 1.00 0.00 ATOM 381 CG2 ILE A 47 6.467 -7.352 -0.980 1.00 0.00 ATOM 382 CD1 ILE A 47 8.624 -5.905 -2.568 1.00 0.00 ATOM 383 O ILE A 47 6.616 -2.915 0.493 1.00 0.00 ATOM 384 C ILE A 47 6.888 -4.027 1.000 1.00 0.00 ATOM 385 N GLY A 48 7.944 -4.239 1.889 1.00 0.00 ATOM 386 CA GLY A 48 8.583 -3.044 2.403 1.00 0.00 ATOM 387 O GLY A 48 10.281 -4.473 3.319 1.00 0.00 ATOM 388 C GLY A 48 10.011 -3.388 2.764 1.00 0.00 ATOM 389 N VAL A 49 10.729 -2.354 2.564 1.00 0.00 ATOM 390 CA VAL A 49 12.143 -2.558 2.846 1.00 0.00 ATOM 391 CB VAL A 49 12.836 -3.176 1.617 1.00 0.00 ATOM 392 CG1 VAL A 49 12.797 -2.212 0.442 1.00 0.00 ATOM 393 CG2 VAL A 49 14.289 -3.497 1.931 1.00 0.00 ATOM 394 O VAL A 49 12.790 -0.296 2.468 1.00 0.00 ATOM 395 C VAL A 49 12.898 -1.285 3.195 1.00 0.00 ATOM 396 N HIS A 50 13.671 -1.322 4.266 1.00 0.00 ATOM 397 CA HIS A 50 14.554 -0.230 4.618 1.00 0.00 ATOM 398 CB HIS A 50 15.131 -0.418 6.024 1.00 0.00 ATOM 399 CG HIS A 50 14.091 -0.588 7.086 1.00 0.00 ATOM 400 CD2 HIS A 50 13.564 -1.706 7.854 1.00 0.00 ATOM 401 ND1 HIS A 50 13.350 0.465 7.579 1.00 0.00 ATOM 402 CE1 HIS A 50 12.504 0.005 8.516 1.00 0.00 ATOM 403 NE2 HIS A 50 12.626 -1.297 8.687 1.00 0.00 ATOM 404 O HIS A 50 16.649 -0.707 3.591 1.00 0.00 ATOM 405 C HIS A 50 15.701 0.063 3.680 1.00 0.00 ATOM 406 N TYR A 51 15.628 1.245 2.835 1.00 0.00 ATOM 407 CA TYR A 51 16.688 1.700 1.962 1.00 0.00 ATOM 408 CB TYR A 51 16.335 2.503 0.864 1.00 0.00 ATOM 409 CG TYR A 51 16.208 1.452 -0.240 1.00 0.00 ATOM 410 CD1 TYR A 51 17.338 0.833 -0.764 1.00 0.00 ATOM 411 CD2 TYR A 51 14.955 1.035 -0.706 1.00 0.00 ATOM 412 CE1 TYR A 51 17.255 -0.180 -1.740 1.00 0.00 ATOM 413 CE2 TYR A 51 14.867 0.039 -1.699 1.00 0.00 ATOM 414 CZ TYR A 51 16.018 -0.571 -2.167 1.00 0.00 ATOM 415 OH TYR A 51 15.909 -1.579 -3.099 1.00 0.00 ATOM 416 O TYR A 51 17.359 3.624 3.226 1.00 0.00 ATOM 417 C TYR A 51 17.634 2.475 2.869 1.00 0.00 ATOM 418 N SER A 52 18.716 1.812 3.280 1.00 0.00 ATOM 419 CA SER A 52 19.673 2.442 4.163 1.00 0.00 ATOM 420 CB SER A 52 20.743 1.422 4.609 1.00 0.00 ATOM 421 OG SER A 52 21.770 1.269 3.648 1.00 0.00 ATOM 422 O SER A 52 20.649 4.616 4.252 1.00 0.00 ATOM 423 C SER A 52 20.318 3.672 3.543 1.00 0.00 ATOM 424 N ASP A 53 20.502 3.693 2.235 1.00 0.00 ATOM 425 CA ASP A 53 21.135 4.811 1.539 1.00 0.00 ATOM 426 CB ASP A 53 21.497 4.765 0.132 1.00 0.00 ATOM 427 CG ASP A 53 20.266 4.701 -0.733 1.00 0.00 ATOM 428 OD1 ASP A 53 19.154 4.421 -0.196 1.00 0.00 ATOM 429 OD2 ASP A 53 20.349 4.828 -1.998 1.00 0.00 ATOM 430 O ASP A 53 21.061 7.210 1.515 1.00 0.00 ATOM 431 C ASP A 53 20.468 6.167 1.770 1.00 0.00 ATOM 432 N ASP A 54 19.186 6.165 2.126 1.00 0.00 ATOM 433 CA ASP A 54 18.521 7.439 2.373 1.00 0.00 ATOM 434 CB ASP A 54 17.596 7.799 1.221 1.00 0.00 ATOM 435 CG ASP A 54 17.266 9.287 1.184 1.00 0.00 ATOM 436 OD1 ASP A 54 17.594 10.020 2.140 1.00 0.00 ATOM 437 OD2 ASP A 54 16.664 9.730 0.183 1.00 0.00 ATOM 438 O ASP A 54 17.468 6.030 4.060 1.00 0.00 ATOM 439 C ASP A 54 17.416 7.087 3.417 1.00 0.00 ATOM 440 N ARG A 55 16.473 8.114 3.569 1.00 0.00 ATOM 441 CA ARG A 55 15.399 7.921 4.554 1.00 0.00 ATOM 442 CB ARG A 55 14.767 9.274 4.840 1.00 0.00 ATOM 443 CG ARG A 55 15.763 10.244 5.494 1.00 0.00 ATOM 444 CD ARG A 55 15.113 11.606 5.796 1.00 0.00 ATOM 445 NE ARG A 55 14.476 12.227 4.648 1.00 0.00 ATOM 446 CZ ARG A 55 13.144 12.280 4.465 1.00 0.00 ATOM 447 NH1 ARG A 55 12.318 11.741 5.375 1.00 0.00 ATOM 448 NH2 ARG A 55 12.644 12.869 3.393 1.00 0.00 ATOM 449 O ARG A 55 14.264 6.892 2.690 1.00 0.00 ATOM 450 C ARG A 55 14.425 6.960 3.897 1.00 0.00 ATOM 451 N PRO A 56 14.893 5.763 5.029 1.00 0.00 ATOM 452 CA PRO A 56 15.102 4.439 4.456 1.00 0.00 ATOM 453 CB PRO A 56 15.199 3.507 5.592 1.00 0.00 ATOM 454 CG PRO A 56 14.342 4.133 6.621 1.00 0.00 ATOM 455 CD PRO A 56 14.728 5.590 6.534 1.00 0.00 ATOM 456 O PRO A 56 14.125 3.272 2.621 1.00 0.00 ATOM 457 C PRO A 56 13.934 3.866 3.679 1.00 0.00 ATOM 458 N HIS A 57 12.604 3.648 4.472 1.00 0.00 ATOM 459 CA HIS A 57 11.819 2.451 4.283 1.00 0.00 ATOM 460 CB HIS A 57 10.990 2.228 5.525 1.00 0.00 ATOM 461 CG HIS A 57 10.274 0.927 5.556 1.00 0.00 ATOM 462 CD2 HIS A 57 10.588 -0.342 5.831 1.00 0.00 ATOM 463 ND1 HIS A 57 8.943 0.903 5.230 1.00 0.00 ATOM 464 CE1 HIS A 57 8.454 -0.330 5.304 1.00 0.00 ATOM 465 NE2 HIS A 57 9.462 -1.101 5.682 1.00 0.00 ATOM 466 O HIS A 57 10.325 3.747 2.922 1.00 0.00 ATOM 467 C HIS A 57 10.998 2.719 3.031 1.00 0.00 ATOM 468 N LEU A 58 11.069 1.799 2.078 1.00 0.00 ATOM 469 CA LEU A 58 10.323 1.942 0.840 1.00 0.00 ATOM 470 CB LEU A 58 11.142 1.359 -0.267 1.00 0.00 ATOM 471 CG LEU A 58 10.581 1.362 -1.640 1.00 0.00 ATOM 472 CD1 LEU A 58 10.270 2.765 -2.081 1.00 0.00 ATOM 473 CD2 LEU A 58 11.588 0.762 -2.643 1.00 0.00 ATOM 474 O LEU A 58 9.277 -0.179 1.302 1.00 0.00 ATOM 475 C LEU A 58 9.156 0.955 0.824 1.00 0.00 ATOM 476 N TYR A 59 8.016 1.411 0.313 1.00 0.00 ATOM 477 CA TYR A 59 6.834 0.566 0.200 1.00 0.00 ATOM 478 CB TYR A 59 5.688 1.152 0.536 1.00 0.00 ATOM 479 CG TYR A 59 5.557 0.602 1.936 1.00 0.00 ATOM 480 CD1 TYR A 59 5.469 -0.772 2.154 1.00 0.00 ATOM 481 CD2 TYR A 59 5.600 1.446 3.046 1.00 0.00 ATOM 482 CE1 TYR A 59 5.433 -1.294 3.448 1.00 0.00 ATOM 483 CE2 TYR A 59 5.567 0.935 4.342 1.00 0.00 ATOM 484 CZ TYR A 59 5.486 -0.437 4.532 1.00 0.00 ATOM 485 OH TYR A 59 5.470 -0.948 5.811 1.00 0.00 ATOM 486 O TYR A 59 6.647 1.236 -2.084 1.00 0.00 ATOM 487 C TYR A 59 6.667 0.306 -1.287 1.00 0.00 ATOM 488 N LYS A 60 6.558 -0.960 -1.665 1.00 0.00 ATOM 489 CA LYS A 60 6.412 -1.307 -3.068 1.00 0.00 ATOM 490 CB LYS A 60 7.662 -2.020 -3.589 1.00 0.00 ATOM 491 CG LYS A 60 7.612 -2.358 -5.068 1.00 0.00 ATOM 492 CD LYS A 60 8.898 -3.030 -5.526 1.00 0.00 ATOM 493 CE LYS A 60 8.844 -3.377 -7.004 1.00 0.00 ATOM 494 NZ LYS A 60 10.102 -4.021 -7.469 1.00 0.00 ATOM 495 O LYS A 60 5.131 -3.267 -2.591 1.00 0.00 ATOM 496 C LYS A 60 5.244 -2.252 -3.276 1.00 0.00 ATOM 497 N LEU A 61 4.388 -1.933 -4.240 1.00 0.00 ATOM 498 CA LEU A 61 3.251 -2.791 -4.542 1.00 0.00 ATOM 499 CB LEU A 61 2.308 -2.070 -5.504 1.00 0.00 ATOM 500 CG LEU A 61 0.950 -2.723 -5.778 1.00 0.00 ATOM 501 CD1 LEU A 61 0.051 -2.576 -4.553 1.00 0.00 ATOM 502 CD2 LEU A 61 0.300 -2.109 -7.017 1.00 0.00 ATOM 503 O LEU A 61 4.598 -3.825 -6.244 1.00 0.00 ATOM 504 C LEU A 61 3.775 -3.987 -5.337 1.00 0.00 ATOM 505 N GLY A 62 3.320 -5.188 -4.989 1.00 0.00 ATOM 506 CA GLY A 62 3.769 -6.390 -5.677 1.00 0.00 ATOM 507 O GLY A 62 1.919 -5.947 -7.123 1.00 0.00 ATOM 508 C GLY A 62 2.936 -6.610 -6.927 1.00 0.00 ATOM 509 N PRO A 63 3.373 -7.537 -7.773 1.00 0.00 ATOM 510 CA PRO A 63 2.635 -7.843 -8.991 1.00 0.00 ATOM 511 CB PRO A 63 3.499 -8.893 -9.692 1.00 0.00 ATOM 512 CG PRO A 63 4.889 -8.598 -9.238 1.00 0.00 ATOM 513 CD PRO A 63 4.779 -8.196 -7.795 1.00 0.00 ATOM 514 O PRO A 63 0.250 -8.007 -9.208 1.00 0.00 ATOM 515 C PRO A 63 1.258 -8.367 -8.598 1.00 0.00 ATOM 516 N GLU A 64 1.212 -9.197 -7.558 1.00 0.00 ATOM 517 CA GLU A 64 -0.059 -9.726 -7.076 1.00 0.00 ATOM 518 CB GLU A 64 0.172 -10.712 -5.930 1.00 0.00 ATOM 519 CG GLU A 64 0.832 -12.014 -6.354 1.00 0.00 ATOM 520 CD GLU A 64 1.175 -12.904 -5.177 1.00 0.00 ATOM 521 OE1 GLU A 64 0.959 -12.474 -4.025 1.00 0.00 ATOM 522 OE2 GLU A 64 1.658 -14.033 -5.406 1.00 0.00 ATOM 523 O GLU A 64 -2.134 -8.575 -6.744 1.00 0.00 ATOM 524 C GLU A 64 -0.918 -8.579 -6.559 1.00 0.00 ATOM 525 N LEU A 65 -0.297 -7.651 -5.844 1.00 0.00 ATOM 526 CA LEU A 65 -1.022 -6.499 -5.315 1.00 0.00 ATOM 527 CB LEU A 65 -0.131 -5.532 -4.535 1.00 0.00 ATOM 528 CG LEU A 65 -0.865 -4.257 -4.067 1.00 0.00 ATOM 529 CD1 LEU A 65 -2.041 -4.623 -3.162 1.00 0.00 ATOM 530 CD2 LEU A 65 0.109 -3.301 -3.340 1.00 0.00 ATOM 531 O LEU A 65 -2.819 -5.300 -6.346 1.00 0.00 ATOM 532 C LEU A 65 -1.660 -5.703 -6.439 1.00 0.00 ATOM 533 N THR A 66 -0.906 -5.461 -7.507 1.00 0.00 ATOM 534 CA THR A 66 -1.441 -4.716 -8.643 1.00 0.00 ATOM 535 CB THR A 66 -0.396 -4.573 -9.766 1.00 0.00 ATOM 536 CG2 THR A 66 -0.990 -3.835 -10.956 1.00 0.00 ATOM 537 OG1 THR A 66 0.734 -3.836 -9.280 1.00 0.00 ATOM 538 O THR A 66 -3.687 -4.768 -9.497 1.00 0.00 ATOM 539 C THR A 66 -2.669 -5.409 -9.240 1.00 0.00 ATOM 540 N GLU A 67 -2.579 -6.717 -9.464 1.00 0.00 ATOM 541 CA GLU A 67 -3.707 -7.449 -10.039 1.00 0.00 ATOM 542 CB GLU A 67 -3.301 -8.890 -10.356 1.00 0.00 ATOM 543 CG GLU A 67 -2.319 -9.019 -11.509 1.00 0.00 ATOM 544 CD GLU A 67 -1.847 -10.444 -11.716 1.00 0.00 ATOM 545 OE1 GLU A 67 -2.231 -11.320 -10.912 1.00 0.00 ATOM 546 OE2 GLU A 67 -1.093 -10.686 -12.681 1.00 0.00 ATOM 547 O GLU A 67 -6.063 -7.410 -9.601 1.00 0.00 ATOM 548 C GLU A 67 -4.931 -7.529 -9.129 1.00 0.00 ATOM 549 N LYS A 68 -4.711 -7.766 -7.840 1.00 0.00 ATOM 550 CA LYS A 68 -5.816 -7.865 -6.891 1.00 0.00 ATOM 551 CB LYS A 68 -5.293 -8.212 -5.495 1.00 0.00 ATOM 552 CG LYS A 68 -6.382 -8.394 -4.451 1.00 0.00 ATOM 553 CD LYS A 68 -7.213 -9.635 -4.731 1.00 0.00 ATOM 554 CE LYS A 68 -8.215 -9.894 -3.617 1.00 0.00 ATOM 555 NZ LYS A 68 -9.029 -11.112 -3.874 1.00 0.00 ATOM 556 O LYS A 68 -7.785 -6.513 -6.763 1.00 0.00 ATOM 557 C LYS A 68 -6.558 -6.542 -6.806 1.00 0.00 ATOM 558 N GLY A 69 -5.805 -5.446 -6.753 1.00 0.00 ATOM 559 CA GLY A 69 -6.401 -4.119 -6.674 1.00 0.00 ATOM 560 O GLY A 69 -8.339 -3.334 -7.839 1.00 0.00 ATOM 561 C GLY A 69 -7.224 -3.850 -7.925 1.00 0.00 ATOM 562 N GLU A 70 -6.670 -4.190 -9.088 1.00 0.00 ATOM 563 CA GLU A 70 -7.380 -3.983 -10.348 1.00 0.00 ATOM 564 CB GLU A 70 -6.502 -4.392 -11.532 1.00 0.00 ATOM 565 CG GLU A 70 -5.335 -3.455 -11.792 1.00 0.00 ATOM 566 CD GLU A 70 -4.417 -3.956 -12.890 1.00 0.00 ATOM 567 OE1 GLU A 70 -4.654 -5.073 -13.398 1.00 0.00 ATOM 568 OE2 GLU A 70 -3.463 -3.232 -13.244 1.00 0.00 ATOM 569 O GLU A 70 -9.730 -4.331 -10.790 1.00 0.00 ATOM 570 C GLU A 70 -8.674 -4.818 -10.376 1.00 0.00 ATOM 571 N ASN A 71 -8.576 -6.043 -9.901 1.00 0.00 ATOM 572 CA ASN A 71 -9.759 -6.916 -9.855 1.00 0.00 ATOM 573 CB ASN A 71 -9.388 -8.297 -9.306 1.00 0.00 ATOM 574 CG ASN A 71 -8.573 -9.113 -10.291 1.00 0.00 ATOM 575 ND2 ASN A 71 -7.879 -10.126 -9.784 1.00 0.00 ATOM 576 OD1 ASN A 71 -8.567 -8.835 -11.489 1.00 0.00 ATOM 577 O ASN A 71 -11.998 -6.252 -9.314 1.00 0.00 ATOM 578 C ASN A 71 -10.835 -6.339 -8.940 1.00 0.00 ATOM 579 N TYR A 72 -10.432 -5.926 -7.762 1.00 0.00 ATOM 580 CA TYR A 72 -11.377 -5.299 -6.839 1.00 0.00 ATOM 581 CB TYR A 72 -10.691 -4.820 -5.568 1.00 0.00 ATOM 582 CG TYR A 72 -10.543 -5.880 -4.486 1.00 0.00 ATOM 583 CD1 TYR A 72 -9.288 -6.202 -3.969 1.00 0.00 ATOM 584 CD2 TYR A 72 -11.660 -6.527 -3.955 1.00 0.00 ATOM 585 CE1 TYR A 72 -9.146 -7.144 -2.945 1.00 0.00 ATOM 586 CE2 TYR A 72 -11.530 -7.472 -2.928 1.00 0.00 ATOM 587 CZ TYR A 72 -10.269 -7.772 -2.432 1.00 0.00 ATOM 588 OH TYR A 72 -10.120 -8.694 -1.418 1.00 0.00 ATOM 589 O TYR A 72 -13.183 -3.781 -7.288 1.00 0.00 ATOM 590 C TYR A 72 -11.977 -4.018 -7.405 1.00 0.00 ATOM 591 N LEU A 73 -11.126 -3.165 -7.978 1.00 0.00 ATOM 592 CA LEU A 73 -11.589 -1.904 -8.546 1.00 0.00 ATOM 593 CB LEU A 73 -10.367 -1.038 -8.945 1.00 0.00 ATOM 594 CG LEU A 73 -10.653 0.355 -9.516 1.00 0.00 ATOM 595 CD1 LEU A 73 -11.544 1.153 -8.565 1.00 0.00 ATOM 596 CD2 LEU A 73 -9.330 1.068 -9.752 1.00 0.00 ATOM 597 O LEU A 73 -13.550 -1.414 -9.833 1.00 0.00 ATOM 598 C LEU A 73 -12.573 -2.148 -9.678 1.00 0.00 ATOM 599 N LYS A 74 -12.320 -3.201 -10.469 1.00 0.00 ATOM 600 CA LYS A 74 -13.193 -3.533 -11.583 1.00 0.00 ATOM 601 CB LYS A 74 -12.558 -4.629 -12.441 1.00 0.00 ATOM 602 CG LYS A 74 -11.324 -4.181 -13.207 1.00 0.00 ATOM 603 CD LYS A 74 -10.749 -5.316 -14.040 1.00 0.00 ATOM 604 CE LYS A 74 -9.495 -4.877 -14.779 1.00 0.00 ATOM 605 NZ LYS A 74 -8.907 -5.985 -15.580 1.00 0.00 ATOM 606 O LYS A 74 -15.579 -3.668 -11.695 1.00 0.00 ATOM 607 C LYS A 74 -14.556 -4.019 -11.109 1.00 0.00 ATOM 608 N GLU A 75 -14.565 -4.826 -10.048 1.00 0.00 ATOM 609 CA GLU A 75 -15.822 -5.337 -9.507 1.00 0.00 ATOM 610 CB GLU A 75 -15.552 -6.293 -8.342 1.00 0.00 ATOM 611 CG GLU A 75 -14.939 -7.620 -8.759 1.00 0.00 ATOM 612 CD GLU A 75 -14.573 -8.490 -7.572 1.00 0.00 ATOM 613 OE1 GLU A 75 -14.730 -8.026 -6.424 1.00 0.00 ATOM 614 OE2 GLU A 75 -14.128 -9.637 -7.791 1.00 0.00 ATOM 615 O GLU A 75 -17.904 -4.199 -9.227 1.00 0.00 ATOM 616 C GLU A 75 -16.696 -4.201 -8.998 1.00 0.00 ATOM 617 N ASN A 76 -16.081 -3.205 -8.327 1.00 0.00 ATOM 618 CA ASN A 76 -16.844 -2.074 -7.815 1.00 0.00 ATOM 619 CB ASN A 76 -15.947 -1.153 -6.984 1.00 0.00 ATOM 620 CG ASN A 76 -15.580 -1.753 -5.641 1.00 0.00 ATOM 621 ND2 ASN A 76 -14.499 -1.260 -5.050 1.00 0.00 ATOM 622 OD1 ASN A 76 -16.262 -2.650 -5.145 1.00 0.00 ATOM 623 O ASN A 76 -18.599 -0.892 -8.948 1.00 0.00 ATOM 624 C ASN A 76 -17.430 -1.279 -8.979 1.00 0.00 ATOM 625 N GLY A 77 -16.648 -1.038 -10.025 1.00 0.00 ATOM 626 CA GLY A 77 -17.119 -0.300 -11.158 1.00 0.00 ATOM 627 O GLY A 77 -14.820 0.160 -11.628 1.00 0.00 ATOM 628 C GLY A 77 -15.998 0.411 -11.868 1.00 0.00 ATOM 629 N THR A 78 -16.425 1.337 -12.781 1.00 0.00 ATOM 630 CA THR A 78 -15.493 2.156 -13.507 1.00 0.00 ATOM 631 CB THR A 78 -15.788 2.089 -15.023 1.00 0.00 ATOM 632 CG2 THR A 78 -15.536 0.691 -15.567 1.00 0.00 ATOM 633 OG1 THR A 78 -17.181 2.362 -15.238 1.00 0.00 ATOM 634 O THR A 78 -16.598 4.153 -12.772 1.00 0.00 ATOM 635 C THR A 78 -15.528 3.575 -12.975 1.00 0.00 ATOM 636 N TRP A 79 -14.213 3.892 -12.633 1.00 0.00 ATOM 637 CA TRP A 79 -14.039 5.215 -12.097 1.00 0.00 ATOM 638 CB TRP A 79 -13.460 5.049 -10.682 1.00 0.00 ATOM 639 CG TRP A 79 -14.301 4.279 -9.730 1.00 0.00 ATOM 640 CD1 TRP A 79 -14.416 2.934 -9.640 1.00 0.00 ATOM 641 CD2 TRP A 79 -15.132 4.827 -8.710 1.00 0.00 ATOM 642 CE2 TRP A 79 -15.754 3.744 -8.014 1.00 0.00 ATOM 643 CE3 TRP A 79 -15.427 6.093 -8.284 1.00 0.00 ATOM 644 NE1 TRP A 79 -15.307 2.605 -8.611 1.00 0.00 ATOM 645 CZ2 TRP A 79 -16.620 3.918 -6.982 1.00 0.00 ATOM 646 CZ3 TRP A 79 -16.296 6.279 -7.244 1.00 0.00 ATOM 647 CH2 TRP A 79 -16.904 5.206 -6.567 1.00 0.00 ATOM 648 O TRP A 79 -12.124 5.393 -13.473 1.00 0.00 ATOM 649 C TRP A 79 -13.052 5.971 -12.925 1.00 0.00 ATOM 650 N SER A 80 -13.187 7.277 -12.994 1.00 0.00 ATOM 651 CA SER A 80 -12.253 8.119 -13.732 1.00 0.00 ATOM 652 CB SER A 80 -12.772 9.557 -13.806 1.00 0.00 ATOM 653 OG SER A 80 -12.814 10.151 -12.521 1.00 0.00 ATOM 654 O SER A 80 -9.812 8.285 -13.753 1.00 0.00 ATOM 655 C SER A 80 -10.855 8.191 -13.082 1.00 0.00 ATOM 656 N LYS A 81 -10.826 8.210 -11.741 1.00 0.00 ATOM 657 CA LYS A 81 -9.581 8.124 -11.019 1.00 0.00 ATOM 658 CB LYS A 81 -9.856 8.226 -9.517 1.00 0.00 ATOM 659 CG LYS A 81 -10.397 9.574 -9.075 1.00 0.00 ATOM 660 CD LYS A 81 -10.642 9.606 -7.575 1.00 0.00 ATOM 661 CE LYS A 81 -11.216 10.943 -7.138 1.00 0.00 ATOM 662 NZ LYS A 81 -11.484 10.981 -5.673 1.00 0.00 ATOM 663 O LYS A 81 -7.613 6.831 -11.485 1.00 0.00 ATOM 664 C LYS A 81 -8.832 6.833 -11.342 1.00 0.00 ATOM 665 N ALA A 82 -9.573 5.727 -11.426 1.00 0.00 ATOM 666 CA ALA A 82 -8.957 4.443 -11.745 1.00 0.00 ATOM 667 CB ALA A 82 -10.007 3.342 -11.748 1.00 0.00 ATOM 668 O ALA A 82 -7.185 4.018 -13.307 1.00 0.00 ATOM 669 C ALA A 82 -8.297 4.519 -13.113 1.00 0.00 ATOM 670 N TYR A 83 -8.989 5.135 -14.065 1.00 0.00 ATOM 671 CA TYR A 83 -8.459 5.265 -15.417 1.00 0.00 ATOM 672 CB TYR A 83 -9.389 6.022 -16.315 1.00 0.00 ATOM 673 CG TYR A 83 -10.656 5.290 -16.698 1.00 0.00 ATOM 674 CD1 TYR A 83 -10.653 3.984 -17.139 1.00 0.00 ATOM 675 CD2 TYR A 83 -11.859 5.970 -16.663 1.00 0.00 ATOM 676 CE1 TYR A 83 -11.830 3.354 -17.500 1.00 0.00 ATOM 677 CE2 TYR A 83 -13.032 5.373 -17.064 1.00 0.00 ATOM 678 CZ TYR A 83 -13.019 4.052 -17.474 1.00 0.00 ATOM 679 OH TYR A 83 -14.252 3.532 -17.879 1.00 0.00 ATOM 680 O TYR A 83 -6.210 5.730 -16.108 1.00 0.00 ATOM 681 C TYR A 83 -7.171 6.074 -15.416 1.00 0.00 ATOM 682 N LYS A 84 -7.152 7.151 -14.642 1.00 0.00 ATOM 683 CA LYS A 84 -5.971 8.000 -14.549 1.00 0.00 ATOM 684 CB LYS A 84 -6.159 9.183 -13.676 1.00 0.00 ATOM 685 CG LYS A 84 -7.154 10.162 -14.276 1.00 0.00 ATOM 686 CD LYS A 84 -7.119 11.504 -13.570 1.00 0.00 ATOM 687 CE LYS A 84 -7.936 12.544 -14.321 1.00 0.00 ATOM 688 NZ LYS A 84 -7.810 13.881 -13.676 1.00 0.00 ATOM 689 O LYS A 84 -3.683 7.266 -14.556 1.00 0.00 ATOM 690 C LYS A 84 -4.788 7.204 -14.007 1.00 0.00 ATOM 691 N THR A 85 -5.011 6.466 -12.923 1.00 0.00 ATOM 692 CA THR A 85 -3.941 5.670 -12.323 1.00 0.00 ATOM 693 CB THR A 85 -4.396 5.016 -11.005 1.00 0.00 ATOM 694 CG2 THR A 85 -3.281 4.162 -10.422 1.00 0.00 ATOM 695 OG1 THR A 85 -4.742 6.035 -10.059 1.00 0.00 ATOM 696 O THR A 85 -2.313 4.216 -13.307 1.00 0.00 ATOM 697 C THR A 85 -3.496 4.554 -13.254 1.00 0.00 ATOM 698 N ILE A 86 -4.467 3.913 -13.942 1.00 0.00 ATOM 699 CA ILE A 86 -4.169 2.810 -14.843 1.00 0.00 ATOM 700 CB ILE A 86 -5.416 2.188 -15.455 1.00 0.00 ATOM 701 CG1 ILE A 86 -6.121 1.394 -14.388 1.00 0.00 ATOM 702 CG2 ILE A 86 -5.113 1.323 -16.692 1.00 0.00 ATOM 703 CD1 ILE A 86 -7.583 1.128 -14.666 1.00 0.00 ATOM 704 O ILE A 86 -2.250 2.630 -16.266 1.00 0.00 ATOM 705 C ILE A 86 -3.238 3.292 -15.949 1.00 0.00 ATOM 706 N LYS A 87 -3.558 4.436 -16.543 1.00 0.00 ATOM 707 CA LYS A 87 -2.723 4.984 -17.611 1.00 0.00 ATOM 708 CB LYS A 87 -3.244 6.274 -18.154 1.00 0.00 ATOM 709 CG LYS A 87 -4.405 6.042 -19.092 1.00 0.00 ATOM 710 CD LYS A 87 -4.973 7.338 -19.602 1.00 0.00 ATOM 711 CE LYS A 87 -6.242 7.076 -20.398 1.00 0.00 ATOM 712 NZ LYS A 87 -6.935 8.344 -20.770 1.00 0.00 ATOM 713 O LYS A 87 -0.329 5.019 -17.779 1.00 0.00 ATOM 714 C LYS A 87 -1.317 5.303 -17.104 1.00 0.00 ATOM 715 N GLU A 88 -1.238 5.848 -15.903 1.00 0.00 ATOM 716 CA GLU A 88 0.057 6.183 -15.324 1.00 0.00 ATOM 717 CB GLU A 88 -0.105 6.964 -14.018 1.00 0.00 ATOM 718 CG GLU A 88 -0.650 8.372 -14.202 1.00 0.00 ATOM 719 CD GLU A 88 -0.912 9.071 -12.882 1.00 0.00 ATOM 720 OE1 GLU A 88 -0.737 8.429 -11.825 1.00 0.00 ATOM 721 OE2 GLU A 88 -1.294 10.260 -12.906 1.00 0.00 ATOM 722 O GLU A 88 2.089 4.925 -15.251 1.00 0.00 ATOM 723 C GLU A 88 0.886 4.939 -15.024 1.00 0.00 ATOM 724 N ILE A 89 0.234 3.892 -14.525 1.00 0.00 ATOM 725 CA ILE A 89 0.920 2.644 -14.208 1.00 0.00 ATOM 726 CB ILE A 89 0.029 1.502 -13.884 1.00 0.00 ATOM 727 CG1 ILE A 89 0.874 0.301 -13.457 1.00 0.00 ATOM 728 CG2 ILE A 89 -0.880 1.134 -15.048 1.00 0.00 ATOM 729 CD1 ILE A 89 1.659 0.535 -12.184 1.00 0.00 ATOM 730 O ILE A 89 2.695 1.574 -15.455 1.00 0.00 ATOM 731 C ILE A 89 1.542 2.032 -15.470 1.00 0.00 ATOM 732 N LYS A 90 0.773 2.015 -16.558 1.00 0.00 ATOM 733 CA LYS A 90 1.275 1.439 -17.801 1.00 0.00 ATOM 734 CB LYS A 90 0.185 1.389 -18.860 1.00 0.00 ATOM 735 CG LYS A 90 -0.914 0.387 -18.552 1.00 0.00 ATOM 736 CD LYS A 90 -1.986 0.395 -19.628 1.00 0.00 ATOM 737 CE LYS A 90 -3.082 -0.616 -19.320 1.00 0.00 ATOM 738 NZ LYS A 90 -4.152 -0.615 -20.356 1.00 0.00 ATOM 739 O LYS A 90 3.438 1.694 -18.796 1.00 0.00 ATOM 740 C LYS A 90 2.467 2.254 -18.299 1.00 0.00 ATOM 741 N ASP A 91 2.417 3.598 -18.137 1.00 0.00 ATOM 742 CA ASP A 91 3.520 4.449 -18.581 1.00 0.00 ATOM 743 CB ASP A 91 3.151 5.914 -18.461 1.00 0.00 ATOM 744 CG ASP A 91 2.095 6.386 -19.440 1.00 0.00 ATOM 745 OD1 ASP A 91 1.717 5.664 -20.386 1.00 0.00 ATOM 746 OD2 ASP A 91 1.628 7.536 -19.252 1.00 0.00 ATOM 747 O ASP A 91 5.871 3.974 -18.327 1.00 0.00 ATOM 748 C ASP A 91 4.780 4.135 -17.778 1.00 0.00 ATOM 749 N TRP A 92 4.639 4.034 -16.448 1.00 0.00 ATOM 750 CA TRP A 92 5.783 3.702 -15.595 1.00 0.00 ATOM 751 CB TRP A 92 5.354 3.810 -14.113 1.00 0.00 ATOM 752 CG TRP A 92 6.511 3.620 -13.177 1.00 0.00 ATOM 753 CD1 TRP A 92 7.362 4.578 -12.692 1.00 0.00 ATOM 754 CD2 TRP A 92 6.913 2.390 -12.583 1.00 0.00 ATOM 755 CE2 TRP A 92 8.009 2.668 -11.741 1.00 0.00 ATOM 756 CE3 TRP A 92 6.443 1.071 -12.676 1.00 0.00 ATOM 757 NE1 TRP A 92 8.265 4.013 -11.825 1.00 0.00 ATOM 758 CZ2 TRP A 92 8.654 1.666 -10.986 1.00 0.00 ATOM 759 CZ3 TRP A 92 7.087 0.080 -11.918 1.00 0.00 ATOM 760 CH2 TRP A 92 8.173 0.384 -11.094 1.00 0.00 ATOM 761 O TRP A 92 7.514 2.077 -15.872 1.00 0.00 ATOM 762 C TRP A 92 6.305 2.316 -15.890 1.00 0.00 ATOM 763 N ILE A 93 5.417 1.353 -16.144 1.00 0.00 ATOM 764 CA ILE A 93 5.827 -0.020 -16.439 1.00 0.00 ATOM 765 CB ILE A 93 4.623 -0.954 -16.589 1.00 0.00 ATOM 766 CG1 ILE A 93 3.932 -1.163 -15.225 1.00 0.00 ATOM 767 CG2 ILE A 93 5.015 -2.295 -17.170 1.00 0.00 ATOM 768 CD1 ILE A 93 2.532 -1.766 -15.369 1.00 0.00 ATOM 769 O ILE A 93 7.737 -0.595 -17.755 1.00 0.00 ATOM 770 C ILE A 93 6.644 -0.034 -17.731 1.00 0.00 ATOM 771 N LYS A 94 6.117 0.608 -18.756 1.00 0.00 ATOM 772 CA LYS A 94 6.828 0.633 -20.044 1.00 0.00 ATOM 773 CB LYS A 94 5.970 1.384 -21.085 1.00 0.00 ATOM 774 CG LYS A 94 6.570 1.283 -22.517 1.00 0.00 ATOM 775 CD LYS A 94 6.052 2.450 -23.359 1.00 0.00 ATOM 776 CE LYS A 94 6.108 2.129 -24.854 1.00 0.00 ATOM 777 NZ LYS A 94 5.793 3.380 -25.626 1.00 0.00 ATOM 778 O LYS A 94 9.169 0.809 -20.465 1.00 0.00 ATOM 779 C LYS A 94 8.167 1.313 -19.909 1.00 0.00 ATOM 780 N LEU A 95 8.199 2.445 -19.201 1.00 0.00 ATOM 781 CA LEU A 95 9.438 3.182 -19.026 1.00 0.00 ATOM 782 CB LEU A 95 9.126 4.538 -18.323 1.00 0.00 ATOM 783 CG LEU A 95 10.346 5.400 -17.980 1.00 0.00 ATOM 784 CD1 LEU A 95 11.111 5.774 -19.248 1.00 0.00 ATOM 785 CD2 LEU A 95 9.895 6.648 -17.243 1.00 0.00 ATOM 786 O LEU A 95 11.652 2.392 -18.547 1.00 0.00 ATOM 787 C LEU A 95 10.458 2.351 -18.257 1.00 0.00 ATOM 788 N GLU A 96 9.981 1.591 -17.288 1.00 0.00 ATOM 789 CA GLU A 96 10.877 0.748 -16.506 1.00 0.00 ATOM 790 CB GLU A 96 10.225 0.011 -15.413 1.00 0.00 ATOM 791 CG GLU A 96 11.156 -0.873 -14.608 1.00 0.00 ATOM 792 CD GLU A 96 10.488 -1.424 -13.366 1.00 0.00 ATOM 793 OE1 GLU A 96 9.451 -2.106 -13.501 1.00 0.00 ATOM 794 OE2 GLU A 96 10.996 -1.174 -12.254 1.00 0.00 ATOM 795 O GLU A 96 12.673 -0.599 -17.359 1.00 0.00 ATOM 796 C GLU A 96 11.473 -0.324 -17.406 1.00 0.00 ATOM 797 N HIS A 97 10.626 -0.954 -18.207 1.00 0.00 ATOM 798 CA HIS A 97 11.093 -1.988 -19.117 1.00 0.00 ATOM 799 CB HIS A 97 9.882 -2.613 -19.833 1.00 0.00 ATOM 800 CG HIS A 97 10.316 -3.752 -20.682 1.00 0.00 ATOM 801 CD2 HIS A 97 10.886 -4.949 -20.438 1.00 0.00 ATOM 802 ND1 HIS A 97 10.173 -3.680 -22.030 1.00 0.00 ATOM 803 CE1 HIS A 97 10.651 -4.781 -22.591 1.00 0.00 ATOM 804 NE2 HIS A 97 11.102 -5.600 -21.635 1.00 0.00 ATOM 805 O HIS A 97 13.180 -2.012 -20.358 1.00 0.00 ATOM 806 C HIS A 97 12.114 -1.415 -20.124 1.00 0.00 ATOM 807 N HIS A 98 11.797 -0.261 -20.655 1.00 0.00 ATOM 808 CA HIS A 98 12.693 0.392 -21.603 1.00 0.00 ATOM 809 CB HIS A 98 11.941 1.625 -22.207 1.00 0.00 ATOM 810 CG HIS A 98 12.757 2.253 -23.277 1.00 0.00 ATOM 811 CD2 HIS A 98 13.208 1.850 -24.482 1.00 0.00 ATOM 812 ND1 HIS A 98 13.227 3.517 -23.113 1.00 0.00 ATOM 813 CE1 HIS A 98 13.952 3.865 -24.165 1.00 0.00 ATOM 814 NE2 HIS A 98 13.963 2.859 -25.044 1.00 0.00 ATOM 815 O HIS A 98 15.075 0.574 -21.514 1.00 0.00 ATOM 816 C HIS A 98 14.006 0.783 -20.943 1.00 0.00 ATOM 817 N HIS A 99 13.930 1.378 -19.757 1.00 0.00 ATOM 818 CA HIS A 99 15.144 1.802 -19.068 1.00 0.00 ATOM 819 CB HIS A 99 14.836 2.371 -17.715 1.00 0.00 ATOM 820 CG HIS A 99 16.051 2.715 -16.910 1.00 0.00 ATOM 821 CD2 HIS A 99 16.517 2.212 -15.743 1.00 0.00 ATOM 822 ND1 HIS A 99 16.944 3.695 -17.289 1.00 0.00 ATOM 823 CE1 HIS A 99 17.906 3.781 -16.387 1.00 0.00 ATOM 824 NE2 HIS A 99 17.671 2.893 -15.440 1.00 0.00 ATOM 825 O HIS A 99 17.301 0.771 -18.982 1.00 0.00 ATOM 826 C HIS A 99 16.088 0.641 -18.812 1.00 0.00 ATOM 827 N HIS A 100 15.537 -0.497 -18.404 1.00 0.00 ATOM 828 CA HIS A 100 16.365 -1.662 -18.130 1.00 0.00 ATOM 829 CB HIS A 100 15.407 -2.711 -17.448 1.00 0.00 ATOM 830 CG HIS A 100 14.971 -2.302 -16.077 1.00 0.00 ATOM 831 CD2 HIS A 100 15.348 -1.260 -15.296 1.00 0.00 ATOM 832 ND1 HIS A 100 14.041 -3.007 -15.344 1.00 0.00 ATOM 833 CE1 HIS A 100 13.861 -2.424 -14.180 1.00 0.00 ATOM 834 NE2 HIS A 100 14.644 -1.355 -14.119 1.00 0.00 ATOM 835 O HIS A 100 18.034 -2.886 -19.340 1.00 0.00 ATOM 836 C HIS A 100 16.997 -2.226 -19.398 1.00 0.00 ATOM 837 N HIS A 101 16.397 -1.883 -20.608 1.00 0.00 ATOM 838 CA HIS A 101 16.946 -2.328 -21.885 1.00 0.00 ATOM 839 CB HIS A 101 16.006 -2.381 -22.992 1.00 0.00 ATOM 840 CG HIS A 101 15.435 -3.749 -23.160 1.00 0.00 ATOM 841 CD2 HIS A 101 14.479 -4.407 -22.465 1.00 0.00 ATOM 842 ND1 HIS A 101 15.828 -4.595 -24.174 1.00 0.00 ATOM 843 CE1 HIS A 101 15.138 -5.723 -24.091 1.00 0.00 ATOM 844 NE2 HIS A 101 14.307 -5.631 -23.067 1.00 0.00 ATOM 845 O HIS A 101 19.141 -1.699 -22.657 1.00 0.00 ATOM 846 C HIS A 101 18.024 -1.325 -22.295 1.00 0.00 ATOM 847 N HIS A 102 17.681 -0.054 -22.129 1.00 0.00 ATOM 848 CA HIS A 102 18.603 1.057 -22.473 1.00 0.00 ATOM 849 CB HIS A 102 18.228 1.766 -23.755 1.00 0.00 ATOM 850 CG HIS A 102 18.111 0.742 -24.872 1.00 0.00 ATOM 851 CD2 HIS A 102 17.030 0.068 -25.350 1.00 0.00 ATOM 852 ND1 HIS A 102 19.190 0.342 -25.629 1.00 0.00 ATOM 853 CE1 HIS A 102 18.779 -0.543 -26.533 1.00 0.00 ATOM 854 NE2 HIS A 102 17.474 -0.713 -26.392 1.00 0.00 ATOM 855 O HIS A 102 17.588 2.439 -20.819 1.00 0.00 ATOM 856 C HIS A 102 18.626 2.074 -21.341 1.00 0.00 ENDMDL EXPDTA 2hgcA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hgcA ATOM 1 N LYS 5 -10.778 0.805 4.578 1.00 0.00 ATOM 2 CA LYS 5 -11.189 2.161 4.269 1.00 0.00 ATOM 3 CB LYS 5 -11.594 2.908 5.544 1.00 0.00 ATOM 4 CG LYS 5 -12.149 4.303 5.291 1.00 0.00 ATOM 5 CD LYS 5 -12.417 5.046 6.594 1.00 0.00 ATOM 6 CE LYS 5 -13.480 4.354 7.439 1.00 0.00 ATOM 7 NZ LYS 5 -14.808 4.351 6.772 1.00 0.00 ATOM 8 O LYS 5 -10.189 3.403 2.475 1.00 0.00 ATOM 9 C LYS 5 -10.038 2.879 3.573 1.00 0.00 ATOM 10 N LEU 6 -8.878 2.890 4.219 1.00 0.00 ATOM 11 CA LEU 6 -7.695 3.516 3.641 1.00 0.00 ATOM 12 CB LEU 6 -6.929 4.340 4.688 1.00 0.00 ATOM 13 CG LEU 6 -7.628 5.612 5.191 1.00 0.00 ATOM 14 CD1 LEU 6 -8.225 6.400 4.032 1.00 0.00 ATOM 15 CD2 LEU 6 -8.692 5.279 6.228 1.00 0.00 ATOM 16 O LEU 6 -5.690 2.826 2.528 1.00 0.00 ATOM 17 C LEU 6 -6.759 2.478 3.025 1.00 0.00 ATOM 18 N ARG 7 -7.163 1.209 3.040 1.00 0.00 ATOM 19 CA ARG 7 -6.294 0.135 2.555 1.00 0.00 ATOM 20 CB ARG 7 -6.882 -1.240 2.875 1.00 0.00 ATOM 21 CG ARG 7 -7.344 -1.409 4.315 1.00 0.00 ATOM 22 CD ARG 7 -6.198 -1.436 5.306 1.00 0.00 ATOM 23 NE ARG 7 -6.694 -1.609 6.669 1.00 0.00 ATOM 24 CZ ARG 7 -5.918 -1.652 7.753 1.00 0.00 ATOM 25 NH1 ARG 7 -4.603 -1.584 7.643 1.00 0.00 ATOM 26 NH2 ARG 7 -6.457 -1.767 8.957 1.00 0.00 ATOM 27 O ARG 7 -4.963 0.354 0.571 1.00 0.00 ATOM 28 C ARG 7 -6.093 0.265 1.051 1.00 0.00 ATOM 29 N TYR 8 -7.199 0.284 0.312 1.00 0.00 ATOM 30 CA TYR 8 -7.147 0.469 -1.133 1.00 0.00 ATOM 31 CB TYR 8 -8.546 0.338 -1.752 1.00 0.00 ATOM 32 CG TYR 8 -8.661 1.012 -3.103 1.00 0.00 ATOM 33 CD1 TYR 8 -8.180 0.402 -4.253 1.00 0.00 ATOM 34 CD2 TYR 8 -9.221 2.279 -3.217 1.00 0.00 ATOM 35 CE1 TYR 8 -8.251 1.037 -5.476 1.00 0.00 ATOM 36 CE2 TYR 8 -9.301 2.916 -4.437 1.00 0.00 ATOM 37 CZ TYR 8 -8.812 2.292 -5.562 1.00 0.00 ATOM 38 OH TYR 8 -8.877 2.928 -6.777 1.00 0.00 ATOM 39 O TYR 8 -5.766 1.952 -2.419 1.00 0.00 ATOM 40 C TYR 8 -6.557 1.829 -1.482 1.00 0.00 ATOM 41 N ALA 9 -6.947 2.844 -0.722 1.00 0.00 ATOM 42 CA ALA 9 -6.541 4.211 -1.001 1.00 0.00 ATOM 43 CB ALA 9 -7.182 5.157 0.004 1.00 0.00 ATOM 44 O ALA 9 -4.450 4.956 -1.918 1.00 0.00 ATOM 45 C ALA 9 -5.020 4.348 -1.009 1.00 0.00 ATOM 46 N ILE 10 -4.365 3.753 -0.019 1.00 0.00 ATOM 47 CA ILE 10 -2.912 3.784 0.054 1.00 0.00 ATOM 48 CB ILE 10 -2.408 3.351 1.450 1.00 0.00 ATOM 49 CG1 ILE 10 -2.885 4.353 2.509 1.00 0.00 ATOM 50 CG2 ILE 10 -0.888 3.232 1.466 1.00 0.00 ATOM 51 CD1 ILE 10 -2.423 4.033 3.914 1.00 0.00 ATOM 52 O ILE 10 -1.297 3.275 -1.648 1.00 0.00 ATOM 53 C ILE 10 -2.295 2.901 -1.032 1.00 0.00 ATOM 54 N LEU 11 -2.910 1.744 -1.285 1.00 0.00 ATOM 55 CA LEU 11 -2.451 0.846 -2.347 1.00 0.00 ATOM 56 CB LEU 11 -3.357 -0.379 -2.456 1.00 0.00 ATOM 57 CG LEU 11 -2.875 -1.622 -1.712 1.00 0.00 ATOM 58 CD1 LEU 11 -3.927 -2.717 -1.778 1.00 0.00 ATOM 59 CD2 LEU 11 -1.564 -2.117 -2.299 1.00 0.00 ATOM 60 O LEU 11 -1.444 1.440 -4.443 1.00 0.00 ATOM 61 C LEU 11 -2.411 1.561 -3.692 1.00 0.00 ATOM 62 N LYS 12 -3.466 2.308 -3.987 1.00 0.00 ATOM 63 CA LYS 12 -3.550 3.051 -5.234 1.00 0.00 ATOM 64 CB LYS 12 -4.904 3.743 -5.354 1.00 0.00 ATOM 65 CG LYS 12 -5.107 4.431 -6.693 1.00 0.00 ATOM 66 CD LYS 12 -5.957 5.680 -6.558 1.00 0.00 ATOM 67 CE LYS 12 -5.270 6.725 -5.688 1.00 0.00 ATOM 68 NZ LYS 12 -3.906 7.057 -6.191 1.00 0.00 ATOM 69 O LYS 12 -1.853 4.316 -6.373 1.00 0.00 ATOM 70 C LYS 12 -2.438 4.094 -5.312 1.00 0.00 ATOM 71 N GLU 13 -2.158 4.738 -4.182 1.00 0.00 ATOM 72 CA GLU 13 -1.098 5.740 -4.114 1.00 0.00 ATOM 73 CB GLU 13 -1.094 6.431 -2.751 1.00 0.00 ATOM 74 CG GLU 13 -1.305 7.935 -2.827 1.00 0.00 ATOM 75 CD GLU 13 -2.677 8.312 -3.347 1.00 0.00 ATOM 76 OE1 GLU 13 -3.653 8.233 -2.575 1.00 0.00 ATOM 77 OE2 GLU 13 -2.786 8.704 -4.527 1.00 0.00 ATOM 78 O GLU 13 1.128 5.685 -5.002 1.00 0.00 ATOM 79 C GLU 13 0.258 5.095 -4.369 1.00 0.00 ATOM 80 N ILE 14 0.431 3.880 -3.869 1.00 0.00 ATOM 81 CA ILE 14 1.646 3.116 -4.115 1.00 0.00 ATOM 82 CB ILE 14 1.679 1.821 -3.265 1.00 0.00 ATOM 83 CG1 ILE 14 1.684 2.164 -1.770 1.00 0.00 ATOM 84 CG2 ILE 14 2.890 0.968 -3.623 1.00 0.00 ATOM 85 CD1 ILE 14 1.642 0.951 -0.861 1.00 0.00 ATOM 86 O ILE 14 2.815 2.905 -6.206 1.00 0.00 ATOM 87 C ILE 14 1.755 2.757 -5.596 1.00 0.00 ATOM 88 N PHE 15 0.636 2.320 -6.163 1.00 0.00 ATOM 89 CA PHE 15 0.590 1.844 -7.542 1.00 0.00 ATOM 90 CB PHE 15 -0.831 1.393 -7.888 1.00 0.00 ATOM 91 CG PHE 15 -0.976 0.841 -9.280 1.00 0.00 ATOM 92 CD1 PHE 15 -0.623 -0.469 -9.557 1.00 0.00 ATOM 93 CD2 PHE 15 -1.472 1.630 -10.308 1.00 0.00 ATOM 94 CE1 PHE 15 -0.761 -0.983 -10.832 1.00 0.00 ATOM 95 CE2 PHE 15 -1.610 1.121 -11.585 1.00 0.00 ATOM 96 CZ PHE 15 -1.254 -0.188 -11.847 1.00 0.00 ATOM 97 O PHE 15 1.910 2.643 -9.381 1.00 0.00 ATOM 98 C PHE 15 1.053 2.907 -8.539 1.00 0.00 ATOM 99 N GLU 16 0.497 4.108 -8.441 1.00 0.00 ATOM 100 CA GLU 16 0.815 5.155 -9.408 1.00 0.00 ATOM 101 CB GLU 16 -0.435 5.968 -9.769 1.00 0.00 ATOM 102 CG GLU 16 -1.013 6.779 -8.622 1.00 0.00 ATOM 103 CD GLU 16 -2.192 7.629 -9.056 1.00 0.00 ATOM 104 OE1 GLU 16 -1.974 8.651 -9.739 1.00 0.00 ATOM 105 OE2 GLU 16 -3.344 7.275 -8.718 1.00 0.00 ATOM 106 O GLU 16 2.564 6.779 -9.670 1.00 0.00 ATOM 107 C GLU 16 1.918 6.075 -8.893 1.00 0.00 ATOM 108 N GLY 17 2.134 6.060 -7.582 1.00 0.00 ATOM 109 CA GLY 17 3.155 6.898 -6.985 1.00 0.00 ATOM 110 O GLY 17 5.508 7.153 -7.250 1.00 0.00 ATOM 111 C GLY 17 4.551 6.382 -7.253 1.00 0.00 ATOM 112 N ASN 18 4.657 5.065 -7.452 1.00 0.00 ATOM 113 CA ASN 18 5.920 4.404 -7.811 1.00 0.00 ATOM 114 CB ASN 18 6.589 5.128 -8.995 1.00 0.00 ATOM 115 CG ASN 18 7.780 4.382 -9.576 1.00 0.00 ATOM 116 ND2 ASN 18 7.745 3.060 -9.520 1.00 0.00 ATOM 117 OD1 ASN 18 8.716 4.993 -10.096 1.00 0.00 ATOM 118 O ASN 18 7.949 3.735 -6.708 1.00 0.00 ATOM 119 C ASN 18 6.869 4.317 -6.609 1.00 0.00 ATOM 120 N THR 19 6.423 4.873 -5.475 1.00 0.00 ATOM 121 CA THR 19 7.158 4.876 -4.197 1.00 0.00 ATOM 122 CB THR 19 7.311 3.455 -3.581 1.00 0.00 ATOM 123 CG2 THR 19 5.954 2.892 -3.185 1.00 0.00 ATOM 124 OG1 THR 19 7.955 2.550 -4.483 1.00 0.00 ATOM 125 O THR 19 9.140 5.651 -5.348 1.00 0.00 ATOM 126 C THR 19 8.528 5.569 -4.284 1.00 0.00 ATOM 127 N PRO 20 9.024 6.106 -3.153 1.00 0.00 ATOM 128 CA PRO 20 8.342 6.061 -1.858 1.00 0.00 ATOM 129 CB PRO 20 9.470 6.314 -0.844 1.00 0.00 ATOM 130 CG PRO 20 10.722 6.524 -1.640 1.00 0.00 ATOM 131 CD PRO 20 10.298 6.815 -3.050 1.00 0.00 ATOM 132 O PRO 20 7.231 8.083 -2.521 1.00 0.00 ATOM 133 C PRO 20 7.279 7.150 -1.722 1.00 0.00 ATOM 134 N LEU 21 6.435 7.029 -0.706 1.00 0.00 ATOM 135 CA LEU 21 5.429 8.041 -0.426 1.00 0.00 ATOM 136 CB LEU 21 4.063 7.672 -1.029 1.00 0.00 ATOM 137 CG LEU 21 3.398 6.405 -0.473 1.00 0.00 ATOM 138 CD1 LEU 21 1.894 6.468 -0.679 1.00 0.00 ATOM 139 CD2 LEU 21 3.954 5.164 -1.152 1.00 0.00 ATOM 140 O LEU 21 5.525 7.317 1.855 1.00 0.00 ATOM 141 C LEU 21 5.297 8.243 1.076 1.00 0.00 ATOM 142 N SER 22 4.959 9.458 1.471 1.00 0.00 ATOM 143 CA SER 22 4.773 9.783 2.875 1.00 0.00 ATOM 144 CB SER 22 5.039 11.266 3.117 1.00 0.00 ATOM 145 OG SER 22 4.719 11.673 4.437 1.00 0.00 ATOM 146 O SER 22 2.467 9.211 2.519 1.00 0.00 ATOM 147 C SER 22 3.367 9.446 3.327 1.00 0.00 ATOM 148 N GLU 23 3.192 9.460 4.627 1.00 0.00 ATOM 149 CA GLU 23 1.895 9.211 5.226 1.00 0.00 ATOM 150 CB GLU 23 2.004 8.717 6.680 1.00 0.00 ATOM 151 CG GLU 23 3.424 8.586 7.216 1.00 0.00 ATOM 152 CD GLU 23 4.126 9.919 7.358 1.00 0.00 ATOM 153 OE1 GLU 23 3.788 10.681 8.286 1.00 0.00 ATOM 154 OE2 GLU 23 5.011 10.212 6.527 1.00 0.00 ATOM 155 O GLU 23 -0.098 10.459 4.741 1.00 0.00 ATOM 156 C GLU 23 1.058 10.477 5.170 1.00 0.00 ATOM 157 N ASN 24 1.655 11.585 5.582 1.00 0.00 ATOM 158 CA ASN 24 0.971 12.871 5.558 1.00 0.00 ATOM 159 CB ASN 24 1.805 13.945 6.264 1.00 0.00 ATOM 160 CG ASN 24 1.080 15.277 6.369 1.00 0.00 ATOM 161 ND2 ASN 24 -0.226 15.235 6.596 1.00 0.00 ATOM 162 OD1 ASN 24 1.694 16.338 6.266 1.00 0.00 ATOM 163 O ASN 24 -0.254 13.985 3.819 1.00 0.00 ATOM 164 C ASN 24 0.712 13.284 4.117 1.00 0.00 ATOM 165 N ASP 25 1.574 12.811 3.225 1.00 0.00 ATOM 166 CA ASP 25 1.488 13.152 1.811 1.00 0.00 ATOM 167 CB ASP 25 2.792 12.786 1.100 1.00 0.00 ATOM 168 CG ASP 25 2.939 13.455 -0.253 1.00 0.00 ATOM 169 OD1 ASP 25 2.719 12.785 -1.283 1.00 0.00 ATOM 170 OD2 ASP 25 3.310 14.648 -0.290 1.00 0.00 ATOM 171 O ASP 25 -0.412 13.029 0.353 1.00 0.00 ATOM 172 C ASP 25 0.305 12.439 1.158 1.00 0.00 ATOM 173 N ILE 26 0.091 11.171 1.520 1.00 0.00 ATOM 174 CA ILE 26 -1.059 10.427 1.011 1.00 0.00 ATOM 175 CB ILE 26 -0.866 8.882 1.158 1.00 0.00 ATOM 176 CG1 ILE 26 -2.027 8.092 0.515 1.00 0.00 ATOM 177 CG2 ILE 26 -0.688 8.478 2.614 1.00 0.00 ATOM 178 CD1 ILE 26 -3.233 7.874 1.413 1.00 0.00 ATOM 179 O ILE 26 -3.411 10.941 1.090 1.00 0.00 ATOM 180 C ILE 26 -2.342 10.910 1.702 1.00 0.00 ATOM 181 N GLY 27 -2.226 11.310 2.969 1.00 0.00 ATOM 182 CA GLY 27 -3.360 11.900 3.663 1.00 0.00 ATOM 183 O GLY 27 -4.823 11.344 5.469 1.00 0.00 ATOM 184 C GLY 27 -3.707 11.204 4.970 1.00 0.00 ATOM 185 N VAL 28 -2.760 10.465 5.535 1.00 0.00 ATOM 186 CA VAL 28 -2.998 9.741 6.781 1.00 0.00 ATOM 187 CB VAL 28 -3.119 8.215 6.546 1.00 0.00 ATOM 188 CG1 VAL 28 -4.297 7.898 5.638 1.00 0.00 ATOM 189 CG2 VAL 28 -1.833 7.652 5.962 1.00 0.00 ATOM 190 O VAL 28 -0.903 10.694 7.472 1.00 0.00 ATOM 191 C VAL 28 -1.879 10.009 7.786 1.00 0.00 ATOM 192 N THR 29 -2.027 9.488 8.996 1.00 0.00 ATOM 193 CA THR 29 -0.980 9.597 10.001 1.00 0.00 ATOM 194 CB THR 29 -1.558 9.565 11.432 1.00 0.00 ATOM 195 CG2 THR 29 -2.434 10.783 11.690 1.00 0.00 ATOM 196 OG1 THR 29 -2.325 8.372 11.629 1.00 0.00 ATOM 197 O THR 29 -0.179 7.555 9.026 1.00 0.00 ATOM 198 C THR 29 0.033 8.470 9.831 1.00 0.00 ATOM 199 N GLU 30 1.127 8.535 10.585 1.00 0.00 ATOM 200 CA GLU 30 2.183 7.531 10.497 1.00 0.00 ATOM 201 CB GLU 30 3.295 7.825 11.500 1.00 0.00 ATOM 202 CG GLU 30 3.594 9.297 11.673 1.00 0.00 ATOM 203 CD GLU 30 4.742 9.538 12.625 1.00 0.00 ATOM 204 OE1 GLU 30 4.555 9.344 13.845 1.00 0.00 ATOM 205 OE2 GLU 30 5.832 9.923 12.156 1.00 0.00 ATOM 206 O GLU 30 1.781 5.218 10.007 1.00 0.00 ATOM 207 C GLU 30 1.626 6.149 10.794 1.00 0.00 ATOM 208 N ASP 31 0.960 6.039 11.935 1.00 0.00 ATOM 209 CA ASP 31 0.459 4.761 12.425 1.00 0.00 ATOM 210 CB ASP 31 -0.047 4.911 13.859 1.00 0.00 ATOM 211 CG ASP 31 1.086 4.895 14.868 1.00 0.00 ATOM 212 OD1 ASP 31 1.730 5.946 15.073 1.00 0.00 ATOM 213 OD2 ASP 31 1.349 3.823 15.455 1.00 0.00 ATOM 214 O ASP 31 -0.769 2.966 11.422 1.00 0.00 ATOM 215 C ASP 31 -0.629 4.186 11.522 1.00 0.00 ATOM 216 N GLN 32 -1.387 5.058 10.863 1.00 0.00 ATOM 217 CA GLN 32 -2.406 4.617 9.910 1.00 0.00 ATOM 218 CB GLN 32 -3.313 5.783 9.507 1.00 0.00 ATOM 219 CG GLN 32 -4.278 6.216 10.598 1.00 0.00 ATOM 220 CD GLN 32 -5.060 7.462 10.226 1.00 0.00 ATOM 221 OE1 GLN 32 -4.572 8.319 9.487 1.00 0.00 ATOM 222 NE2 GLN 32 -6.275 7.574 10.739 1.00 0.00 ATOM 223 O GLN 32 -2.135 2.939 8.212 1.00 0.00 ATOM 224 C GLN 32 -1.749 4.014 8.672 1.00 0.00 ATOM 225 N PHE 33 -0.749 4.713 8.149 1.00 0.00 ATOM 226 CA PHE 33 0.017 4.238 7.001 1.00 0.00 ATOM 227 CB PHE 33 1.020 5.318 6.585 1.00 0.00 ATOM 228 CG PHE 33 1.778 5.025 5.320 1.00 0.00 ATOM 229 CD1 PHE 33 1.216 5.297 4.082 1.00 0.00 ATOM 230 CD2 PHE 33 3.062 4.502 5.369 1.00 0.00 ATOM 231 CE1 PHE 33 1.917 5.052 2.918 1.00 0.00 ATOM 232 CE2 PHE 33 3.766 4.252 4.206 1.00 0.00 ATOM 233 CZ PHE 33 3.192 4.529 2.979 1.00 0.00 ATOM 234 O PHE 33 0.726 1.972 6.607 1.00 0.00 ATOM 235 C PHE 33 0.741 2.945 7.363 1.00 0.00 ATOM 236 N ASP 34 1.356 2.957 8.538 1.00 0.00 ATOM 237 CA ASP 34 2.064 1.802 9.084 1.00 0.00 ATOM 238 CB ASP 34 2.575 2.151 10.483 1.00 0.00 ATOM 239 CG ASP 34 3.123 0.963 11.247 1.00 0.00 ATOM 240 OD1 ASP 34 4.338 0.700 11.157 1.00 0.00 ATOM 241 OD2 ASP 34 2.355 0.332 12.001 1.00 0.00 ATOM 242 O ASP 34 1.516 -0.485 8.606 1.00 0.00 ATOM 243 C ASP 34 1.169 0.569 9.142 1.00 0.00 ATOM 244 N ASP 35 0.010 0.707 9.778 1.00 0.00 ATOM 245 CA ASP 35 -0.917 -0.412 9.928 1.00 0.00 ATOM 246 CB ASP 35 -2.134 0.002 10.757 1.00 0.00 ATOM 247 CG ASP 35 -3.061 -1.164 11.057 1.00 0.00 ATOM 248 OD1 ASP 35 -3.862 -1.541 10.178 1.00 0.00 ATOM 249 OD2 ASP 35 -3.003 -1.703 12.181 1.00 0.00 ATOM 250 O ASP 35 -1.478 -2.127 8.347 1.00 0.00 ATOM 251 C ASP 35 -1.369 -0.920 8.566 1.00 0.00 ATOM 252 N ALA 36 -1.619 0.007 7.650 1.00 0.00 ATOM 253 CA ALA 36 -2.054 -0.344 6.308 1.00 0.00 ATOM 254 CB ALA 36 -2.365 0.908 5.506 1.00 0.00 ATOM 255 O ALA 36 -1.306 -2.272 5.107 1.00 0.00 ATOM 256 C ALA 36 -1.003 -1.190 5.603 1.00 0.00 ATOM 257 N VAL 37 0.232 -0.704 5.586 1.00 0.00 ATOM 258 CA VAL 37 1.325 -1.408 4.926 1.00 0.00 ATOM 259 CB VAL 37 2.639 -0.599 4.996 1.00 0.00 ATOM 260 CG1 VAL 37 3.802 -1.389 4.412 1.00 0.00 ATOM 261 CG2 VAL 37 2.482 0.729 4.269 1.00 0.00 ATOM 262 O VAL 37 1.686 -3.781 4.826 1.00 0.00 ATOM 263 C VAL 37 1.537 -2.790 5.542 1.00 0.00 ATOM 264 N ASN 38 1.527 -2.853 6.869 1.00 0.00 ATOM 265 CA ASN 38 1.724 -4.117 7.576 1.00 0.00 ATOM 266 CB ASN 38 1.786 -3.888 9.088 1.00 0.00 ATOM 267 CG ASN 38 3.083 -3.237 9.526 1.00 0.00 ATOM 268 ND2 ASN 38 3.016 -2.440 10.579 1.00 0.00 ATOM 269 OD1 ASN 38 4.135 -3.446 8.918 1.00 0.00 ATOM 270 O ASN 38 0.881 -6.285 6.978 1.00 0.00 ATOM 271 C ASN 38 0.616 -5.111 7.249 1.00 0.00 ATOM 272 N PHE 39 -0.621 -4.632 7.264 1.00 0.00 ATOM 273 CA PHE 39 -1.776 -5.472 6.968 1.00 0.00 ATOM 274 CB PHE 39 -3.072 -4.695 7.221 1.00 0.00 ATOM 275 CG PHE 39 -4.324 -5.473 6.921 1.00 0.00 ATOM 276 CD1 PHE 39 -4.768 -6.456 7.789 1.00 0.00 ATOM 277 CD2 PHE 39 -5.057 -5.217 5.773 1.00 0.00 ATOM 278 CE1 PHE 39 -5.917 -7.170 7.520 1.00 0.00 ATOM 279 CE2 PHE 39 -6.208 -5.928 5.497 1.00 0.00 ATOM 280 CZ PHE 39 -6.639 -6.906 6.373 1.00 0.00 ATOM 281 O PHE 39 -1.927 -7.158 5.265 1.00 0.00 ATOM 282 C PHE 39 -1.732 -5.969 5.526 1.00 0.00 ATOM 283 N LEU 40 -1.459 -5.059 4.597 1.00 0.00 ATOM 284 CA LEU 40 -1.410 -5.401 3.180 1.00 0.00 ATOM 285 CB LEU 40 -1.227 -4.140 2.333 1.00 0.00 ATOM 286 CG LEU 40 -2.344 -3.099 2.462 1.00 0.00 ATOM 287 CD1 LEU 40 -1.999 -1.849 1.670 1.00 0.00 ATOM 288 CD2 LEU 40 -3.675 -3.671 1.996 1.00 0.00 ATOM 289 O LEU 40 -0.410 -7.269 2.046 1.00 0.00 ATOM 290 C LEU 40 -0.284 -6.392 2.902 1.00 0.00 ATOM 291 N LYS 41 0.812 -6.247 3.635 1.00 0.00 ATOM 292 CA LYS 41 1.942 -7.158 3.519 1.00 0.00 ATOM 293 CB LYS 41 3.136 -6.620 4.312 1.00 0.00 ATOM 294 CG LYS 41 4.360 -7.518 4.257 1.00 0.00 ATOM 295 CD LYS 41 5.458 -7.023 5.183 1.00 0.00 ATOM 296 CE LYS 41 6.654 -7.959 5.176 1.00 0.00 ATOM 297 NZ LYS 41 6.297 -9.321 5.654 1.00 0.00 ATOM 298 O LYS 41 1.923 -9.556 3.411 1.00 0.00 ATOM 299 C LYS 41 1.570 -8.548 4.023 1.00 0.00 ATOM 300 N ARG 42 0.841 -8.590 5.131 1.00 0.00 ATOM 301 CA ARG 42 0.490 -9.850 5.776 1.00 0.00 ATOM 302 CB ARG 42 -0.160 -9.589 7.137 1.00 0.00 ATOM 303 CG ARG 42 -0.239 -10.826 8.020 1.00 0.00 ATOM 304 CD ARG 42 -1.111 -10.595 9.245 1.00 0.00 ATOM 305 NE ARG 42 -2.527 -10.504 8.894 1.00 0.00 ATOM 306 CZ ARG 42 -3.515 -10.432 9.781 1.00 0.00 ATOM 307 NH1 ARG 42 -3.256 -10.412 11.081 1.00 0.00 ATOM 308 NH2 ARG 42 -4.771 -10.391 9.357 1.00 0.00 ATOM 309 O ARG 42 -0.258 -11.861 4.694 1.00 0.00 ATOM 310 C ARG 42 -0.463 -10.664 4.907 1.00 0.00 ATOM 311 N GLU 43 -1.501 -10.008 4.399 1.00 0.00 ATOM 312 CA GLU 43 -2.526 -10.691 3.618 1.00 0.00 ATOM 313 CB GLU 43 -3.789 -9.834 3.524 1.00 0.00 ATOM 314 CG GLU 43 -4.346 -9.417 4.877 1.00 0.00 ATOM 315 CD GLU 43 -4.614 -10.593 5.796 1.00 0.00 ATOM 316 OE1 GLU 43 -3.701 -10.980 6.555 1.00 0.00 ATOM 317 OE2 GLU 43 -5.741 -11.130 5.774 1.00 0.00 ATOM 318 O GLU 43 -2.527 -11.946 1.572 1.00 0.00 ATOM 319 C GLU 43 -2.014 -11.034 2.222 1.00 0.00 ATOM 320 N GLY 44 -1.004 -10.305 1.767 1.00 0.00 ATOM 321 CA GLY 44 -0.397 -10.604 0.484 1.00 0.00 ATOM 322 O GLY 44 -1.245 -10.181 -1.709 1.00 0.00 ATOM 323 C GLY 44 -0.892 -9.706 -0.630 1.00 0.00 ATOM 324 N TYR 45 -0.933 -8.407 -0.373 1.00 0.00 ATOM 325 CA TYR 45 -1.309 -7.441 -1.398 1.00 0.00 ATOM 326 CB TYR 45 -2.223 -6.359 -0.818 1.00 0.00 ATOM 327 CG TYR 45 -3.591 -6.870 -0.422 1.00 0.00 ATOM 328 CD1 TYR 45 -3.901 -7.123 0.908 1.00 0.00 ATOM 329 CD2 TYR 45 -4.573 -7.096 -1.379 1.00 0.00 ATOM 330 CE1 TYR 45 -5.150 -7.586 1.274 1.00 0.00 ATOM 331 CE2 TYR 45 -5.825 -7.559 -1.022 1.00 0.00 ATOM 332 CZ TYR 45 -6.109 -7.803 0.306 1.00 0.00 ATOM 333 OH TYR 45 -7.356 -8.266 0.670 1.00 0.00 ATOM 334 O TYR 45 -0.022 -6.543 -3.215 1.00 0.00 ATOM 335 C TYR 45 -0.068 -6.812 -2.013 1.00 0.00 ATOM 336 N ILE 46 0.944 -6.593 -1.186 1.00 0.00 ATOM 337 CA ILE 46 2.204 -6.032 -1.649 1.00 0.00 ATOM 338 CB ILE 46 2.265 -4.491 -1.479 1.00 0.00 ATOM 339 CG1 ILE 46 1.610 -4.031 -0.167 1.00 0.00 ATOM 340 CG2 ILE 46 1.622 -3.795 -2.665 1.00 0.00 ATOM 341 CD1 ILE 46 2.449 -4.273 1.070 1.00 0.00 ATOM 342 O ILE 46 3.233 -7.197 0.179 1.00 0.00 ATOM 343 C ILE 46 3.381 -6.673 -0.928 1.00 0.00 ATOM 344 N ILE 47 4.539 -6.640 -1.569 1.00 0.00 ATOM 345 CA ILE 47 5.762 -7.180 -0.991 1.00 0.00 ATOM 346 CB ILE 47 6.178 -8.508 -1.662 1.00 0.00 ATOM 347 CG1 ILE 47 6.344 -8.320 -3.173 1.00 0.00 ATOM 348 CG2 ILE 47 5.155 -9.596 -1.367 1.00 0.00 ATOM 349 CD1 ILE 47 6.842 -9.555 -3.893 1.00 0.00 ATOM 350 O ILE 47 6.740 -5.157 -1.817 1.00 0.00 ATOM 351 C ILE 47 6.894 -6.170 -1.135 1.00 0.00 ATOM 352 N GLY 48 8.022 -6.440 -0.491 1.00 0.00 ATOM 353 CA GLY 48 9.157 -5.538 -0.570 1.00 0.00 ATOM 354 O GLY 48 9.905 -3.566 0.565 1.00 0.00 ATOM 355 C GLY 48 9.183 -4.565 0.588 1.00 0.00 ATOM 356 N VAL 49 8.389 -4.864 1.605 1.00 0.00 ATOM 357 CA VAL 49 8.296 -4.017 2.781 1.00 0.00 ATOM 358 CB VAL 49 6.989 -4.282 3.558 1.00 0.00 ATOM 359 CG1 VAL 49 6.938 -3.463 4.840 1.00 0.00 ATOM 360 CG2 VAL 49 5.782 -3.981 2.682 1.00 0.00 ATOM 361 O VAL 49 9.667 -5.331 4.246 1.00 0.00 ATOM 362 C VAL 49 9.491 -4.247 3.693 1.00 0.00 ATOM 363 N HIS 50 10.318 -3.226 3.834 1.00 0.00 ATOM 364 CA HIS 50 11.513 -3.329 4.651 1.00 0.00 ATOM 365 CB HIS 50 12.745 -2.873 3.868 1.00 0.00 ATOM 366 CG HIS 50 13.100 -3.772 2.724 1.00 0.00 ATOM 367 CD2 HIS 50 13.699 -4.985 2.705 1.00 0.00 ATOM 368 ND1 HIS 50 12.842 -3.455 1.408 1.00 0.00 ATOM 369 CE1 HIS 50 13.267 -4.436 0.632 1.00 0.00 ATOM 370 NE2 HIS 50 13.790 -5.375 1.393 1.00 0.00 ATOM 371 O HIS 50 10.960 -1.341 5.864 1.00 0.00 ATOM 372 C HIS 50 11.370 -2.500 5.914 1.00 0.00 ATOM 373 N TYR 51 11.689 -3.105 7.042 1.00 0.00 ATOM 374 CA TYR 51 11.690 -2.399 8.310 1.00 0.00 ATOM 375 CB TYR 51 11.279 -3.337 9.448 1.00 0.00 ATOM 376 CG TYR 51 9.884 -3.893 9.298 1.00 0.00 ATOM 377 CD1 TYR 51 9.662 -5.101 8.650 1.00 0.00 ATOM 378 CD2 TYR 51 8.790 -3.208 9.803 1.00 0.00 ATOM 379 CE1 TYR 51 8.386 -5.609 8.509 1.00 0.00 ATOM 380 CE2 TYR 51 7.512 -3.709 9.669 1.00 0.00 ATOM 381 CZ TYR 51 7.314 -4.908 9.021 1.00 0.00 ATOM 382 OH TYR 51 6.039 -5.407 8.888 1.00 0.00 ATOM 383 O TYR 51 14.076 -2.465 8.230 1.00 0.00 ATOM 384 C TYR 51 13.078 -1.831 8.564 1.00 0.00 ATOM 385 N SER 52 13.153 -0.645 9.147 1.00 0.00 ATOM 386 CA SER 52 14.442 0.002 9.338 1.00 0.00 ATOM 387 CB SER 52 14.506 1.293 8.504 1.00 0.00 ATOM 388 OG SER 52 15.768 1.932 8.596 1.00 0.00 ATOM 389 O SER 52 15.224 -0.550 11.537 1.00 0.00 ATOM 390 C SER 52 14.668 0.279 10.818 1.00 0.00 ATOM 391 N ASP 53 14.211 1.433 11.265 1.00 0.00 ATOM 392 CA ASP 53 14.216 1.776 12.679 1.00 0.00 ATOM 393 CB ASP 53 13.643 3.190 12.863 1.00 0.00 ATOM 394 CG ASP 53 12.560 3.530 11.842 1.00 0.00 ATOM 395 OD1 ASP 53 12.680 4.575 11.169 1.00 0.00 ATOM 396 OD2 ASP 53 11.609 2.739 11.668 1.00 0.00 ATOM 397 O ASP 53 13.857 0.144 14.424 1.00 0.00 ATOM 398 C ASP 53 13.389 0.764 13.464 1.00 0.00 ATOM 399 N ASP 54 12.173 0.582 13.000 1.00 0.00 ATOM 400 CA ASP 54 11.196 -0.293 13.639 1.00 0.00 ATOM 401 CB ASP 54 10.737 0.304 14.974 1.00 0.00 ATOM 402 CG ASP 54 9.621 -0.494 15.623 1.00 0.00 ATOM 403 OD1 ASP 54 9.894 -1.600 16.130 1.00 0.00 ATOM 404 OD2 ASP 54 8.466 -0.010 15.642 1.00 0.00 ATOM 405 O ASP 54 9.396 -1.580 12.706 1.00 0.00 ATOM 406 C ASP 54 9.988 -0.501 12.730 1.00 0.00 ATOM 407 N ARG 55 9.647 0.527 11.959 1.00 0.00 ATOM 408 CA ARG 55 8.438 0.512 11.159 1.00 0.00 ATOM 409 CB ARG 55 7.677 1.828 11.367 1.00 0.00 ATOM 410 CG ARG 55 7.573 2.229 12.833 1.00 0.00 ATOM 411 CD ARG 55 6.486 3.261 13.070 1.00 0.00 ATOM 412 NE ARG 55 5.156 2.657 13.073 1.00 0.00 ATOM 413 CZ ARG 55 4.146 3.088 13.831 1.00 0.00 ATOM 414 NH1 ARG 55 4.291 4.161 14.600 1.00 0.00 ATOM 415 NH2 ARG 55 2.983 2.449 13.821 1.00 0.00 ATOM 416 O ARG 55 9.956 0.447 9.304 1.00 0.00 ATOM 417 C ARG 55 8.790 0.309 9.688 1.00 0.00 ATOM 418 N PRO 56 7.805 -0.057 8.850 1.00 0.00 ATOM 419 CA PRO 56 8.018 -0.241 7.414 1.00 0.00 ATOM 420 CB PRO 56 6.649 -0.689 6.892 1.00 0.00 ATOM 421 CG PRO 56 5.677 -0.253 7.931 1.00 0.00 ATOM 422 CD PRO 56 6.411 -0.343 9.233 1.00 0.00 ATOM 423 O PRO 56 7.890 2.117 6.959 1.00 0.00 ATOM 424 C PRO 56 8.450 1.047 6.721 1.00 0.00 ATOM 425 N HIS 57 9.459 0.937 5.877 1.00 0.00 ATOM 426 CA HIS 57 9.930 2.066 5.095 1.00 0.00 ATOM 427 CB HIS 57 11.312 2.525 5.568 1.00 0.00 ATOM 428 CG HIS 57 11.276 3.305 6.850 1.00 0.00 ATOM 429 CD2 HIS 57 11.242 2.895 8.140 1.00 0.00 ATOM 430 ND1 HIS 57 11.263 4.680 6.894 1.00 0.00 ATOM 431 CE1 HIS 57 11.219 5.080 8.150 1.00 0.00 ATOM 432 NE2 HIS 57 11.207 4.017 8.929 1.00 0.00 ATOM 433 O HIS 57 10.469 0.640 3.244 1.00 0.00 ATOM 434 C HIS 57 9.968 1.701 3.620 1.00 0.00 ATOM 435 N LEU 58 9.426 2.578 2.794 1.00 0.00 ATOM 436 CA LEU 58 9.351 2.333 1.364 1.00 0.00 ATOM 437 CB LEU 58 8.005 2.807 0.809 1.00 0.00 ATOM 438 CG LEU 58 6.782 2.098 1.400 1.00 0.00 ATOM 439 CD1 LEU 58 5.505 2.643 0.788 1.00 0.00 ATOM 440 CD2 LEU 58 6.876 0.594 1.186 1.00 0.00 ATOM 441 O LEU 58 10.857 4.158 0.975 1.00 0.00 ATOM 442 C LEU 58 10.497 3.027 0.646 1.00 0.00 ATOM 443 N TYR 59 11.076 2.336 -0.321 1.00 0.00 ATOM 444 CA TYR 59 12.180 2.877 -1.090 1.00 0.00 ATOM 445 CB TYR 59 13.360 1.902 -1.081 1.00 0.00 ATOM 446 CG TYR 59 13.877 1.607 0.309 1.00 0.00 ATOM 447 CD1 TYR 59 13.609 0.395 0.929 1.00 0.00 ATOM 448 CD2 TYR 59 14.623 2.549 1.005 1.00 0.00 ATOM 449 CE1 TYR 59 14.069 0.128 2.205 1.00 0.00 ATOM 450 CE2 TYR 59 15.090 2.290 2.281 1.00 0.00 ATOM 451 CZ TYR 59 14.809 1.079 2.876 1.00 0.00 ATOM 452 OH TYR 59 15.264 0.817 4.148 1.00 0.00 ATOM 453 O TYR 59 10.541 3.015 -2.819 1.00 0.00 ATOM 454 C TYR 59 11.721 3.158 -2.512 1.00 0.00 ATOM 455 N LYS 60 12.647 3.544 -3.377 1.00 0.00 ATOM 456 CA LYS 60 12.305 3.911 -4.746 1.00 0.00 ATOM 457 CB LYS 60 13.350 4.879 -5.305 1.00 0.00 ATOM 458 CG LYS 60 13.613 6.071 -4.397 1.00 0.00 ATOM 459 CD LYS 60 14.598 7.047 -5.018 1.00 0.00 ATOM 460 CE LYS 60 14.969 8.154 -4.043 1.00 0.00 ATOM 461 NZ LYS 60 15.745 7.636 -2.886 1.00 0.00 ATOM 462 O LYS 60 11.850 2.732 -6.800 1.00 0.00 ATOM 463 C LYS 60 12.209 2.664 -5.621 1.00 0.00 ATOM 464 N LEU 61 12.552 1.530 -5.032 1.00 0.00 ATOM 465 CA LEU 61 12.472 0.247 -5.706 1.00 0.00 ATOM 466 CB LEU 61 13.706 0.035 -6.598 1.00 0.00 ATOM 467 CG LEU 61 13.593 -1.070 -7.658 1.00 0.00 ATOM 468 CD1 LEU 61 14.672 -0.894 -8.715 1.00 0.00 ATOM 469 CD2 LEU 61 13.704 -2.455 -7.032 1.00 0.00 ATOM 470 O LEU 61 13.237 -0.968 -3.790 1.00 0.00 ATOM 471 C LEU 61 12.366 -0.845 -4.652 1.00 0.00 ATOM 472 N GLY 62 11.293 -1.615 -4.701 1.00 0.00 ATOM 473 CA GLY 62 11.084 -2.642 -3.701 1.00 0.00 ATOM 474 O GLY 62 9.305 -4.222 -3.695 1.00 0.00 ATOM 475 C GLY 62 9.627 -3.044 -3.563 1.00 0.00 ATOM 476 N PRO 63 8.721 -2.090 -3.270 1.00 0.00 ATOM 477 CA PRO 63 7.286 -2.375 -3.136 1.00 0.00 ATOM 478 CB PRO 63 6.673 -1.021 -2.762 1.00 0.00 ATOM 479 CG PRO 63 7.813 -0.200 -2.265 1.00 0.00 ATOM 480 CD PRO 63 9.016 -0.668 -3.025 1.00 0.00 ATOM 481 O PRO 63 6.477 -2.146 -5.389 1.00 0.00 ATOM 482 C PRO 63 6.669 -2.897 -4.432 1.00 0.00 ATOM 483 N GLU 64 6.379 -4.190 -4.455 1.00 0.00 ATOM 484 CA GLU 64 5.768 -4.829 -5.612 1.00 0.00 ATOM 485 CB GLU 64 6.555 -6.085 -5.996 1.00 0.00 ATOM 486 CG GLU 64 8.064 -5.890 -6.044 1.00 0.00 ATOM 487 CD GLU 64 8.541 -5.186 -7.294 1.00 0.00 ATOM 488 OE1 GLU 64 8.494 -3.943 -7.346 1.00 0.00 ATOM 489 OE2 GLU 64 9.000 -5.880 -8.227 1.00 0.00 ATOM 490 O GLU 64 4.072 -5.689 -4.163 1.00 0.00 ATOM 491 C GLU 64 4.337 -5.228 -5.272 1.00 0.00 ATOM 492 N LEU 65 3.418 -5.052 -6.208 1.00 0.00 ATOM 493 CA LEU 65 2.044 -5.486 -5.995 1.00 0.00 ATOM 494 CB LEU 65 1.041 -4.591 -6.733 1.00 0.00 ATOM 495 CG LEU 65 0.703 -3.270 -6.034 1.00 0.00 ATOM 496 CD1 LEU 65 1.759 -2.213 -6.327 1.00 0.00 ATOM 497 CD2 LEU 65 -0.682 -2.789 -6.444 1.00 0.00 ATOM 498 O LEU 65 2.492 -7.377 -7.405 1.00 0.00 ATOM 499 C LEU 65 1.868 -6.930 -6.438 1.00 0.00 ATOM 500 N THR 66 1.040 -7.660 -5.713 1.00 0.00 ATOM 501 CA THR 66 0.708 -9.022 -6.082 1.00 0.00 ATOM 502 CB THR 66 0.338 -9.863 -4.844 1.00 0.00 ATOM 503 CG2 THR 66 1.485 -9.894 -3.842 1.00 0.00 ATOM 504 OG1 THR 66 -0.835 -9.322 -4.218 1.00 0.00 ATOM 505 O THR 66 -1.078 -7.957 -7.258 1.00 0.00 ATOM 506 C THR 66 -0.469 -9.007 -7.043 1.00 0.00 ATOM 507 N GLU 67 -0.796 -10.154 -7.621 1.00 0.00 ATOM 508 CA GLU 67 -1.969 -10.244 -8.471 1.00 0.00 ATOM 509 CB GLU 67 -2.066 -11.615 -9.144 1.00 0.00 ATOM 510 CG GLU 67 -3.369 -11.813 -9.902 1.00 0.00 ATOM 511 CD GLU 67 -3.359 -13.036 -10.785 1.00 0.00 ATOM 512 OE1 GLU 67 -3.745 -12.918 -11.968 1.00 0.00 ATOM 513 OE2 GLU 67 -2.947 -14.115 -10.316 1.00 0.00 ATOM 514 O GLU 67 -4.140 -9.299 -8.109 1.00 0.00 ATOM 515 C GLU 67 -3.218 -9.965 -7.648 1.00 0.00 ATOM 516 N LYS 68 -3.222 -10.456 -6.417 1.00 0.00 ATOM 517 CA LYS 68 -4.339 -10.244 -5.510 1.00 0.00 ATOM 518 CB LYS 68 -4.117 -11.032 -4.221 1.00 0.00 ATOM 519 CG LYS 68 -5.320 -11.041 -3.296 1.00 0.00 ATOM 520 CD LYS 68 -5.212 -12.150 -2.265 1.00 0.00 ATOM 521 CE LYS 68 -3.945 -12.027 -1.436 1.00 0.00 ATOM 522 NZ LYS 68 -3.727 -13.216 -0.574 1.00 0.00 ATOM 523 O LYS 68 -5.623 -8.240 -5.228 1.00 0.00 ATOM 524 C LYS 68 -4.510 -8.761 -5.206 1.00 0.00 ATOM 525 N GLY 69 -3.398 -8.084 -4.938 1.00 0.00 ATOM 526 CA GLY 69 -3.441 -6.657 -4.679 1.00 0.00 ATOM 527 O GLY 69 -4.676 -4.958 -5.823 1.00 0.00 ATOM 528 C GLY 69 -3.860 -5.877 -5.908 1.00 0.00 ATOM 529 N GLU 70 -3.313 -6.263 -7.055 1.00 0.00 ATOM 530 CA GLU 70 -3.643 -5.632 -8.325 1.00 0.00 ATOM 531 CB GLU 70 -2.763 -6.225 -9.427 1.00 0.00 ATOM 532 CG GLU 70 -2.985 -5.602 -10.789 1.00 0.00 ATOM 533 CD GLU 70 -2.503 -4.172 -10.875 1.00 0.00 ATOM 534 OE1 GLU 70 -3.245 -3.266 -10.448 1.00 0.00 ATOM 535 OE2 GLU 70 -1.397 -3.949 -11.410 1.00 0.00 ATOM 536 O GLU 70 -5.825 -4.897 -9.034 1.00 0.00 ATOM 537 C GLU 70 -5.124 -5.836 -8.659 1.00 0.00 ATOM 538 N ASN 71 -5.594 -7.071 -8.505 1.00 0.00 ATOM 539 CA ASN 71 -6.997 -7.409 -8.759 1.00 0.00 ATOM 540 CB ASN 71 -7.226 -8.918 -8.614 1.00 0.00 ATOM 541 CG ASN 71 -6.794 -9.723 -9.831 1.00 0.00 ATOM 542 ND2 ASN 71 -5.824 -9.218 -10.578 1.00 0.00 ATOM 543 OD1 ASN 71 -7.328 -10.804 -10.091 1.00 0.00 ATOM 544 O ASN 71 -9.024 -6.271 -8.153 1.00 0.00 ATOM 545 C ASN 71 -7.912 -6.664 -7.797 1.00 0.00 ATOM 546 N TYR 72 -7.431 -6.471 -6.578 1.00 0.00 ATOM 547 CA TYR 72 -8.182 -5.761 -5.554 1.00 0.00 ATOM 548 CB TYR 72 -7.422 -5.809 -4.227 1.00 0.00 ATOM 549 CG TYR 72 -8.172 -5.200 -3.067 1.00 0.00 ATOM 550 CD1 TYR 72 -9.333 -5.787 -2.585 1.00 0.00 ATOM 551 CD2 TYR 72 -7.713 -4.044 -2.449 1.00 0.00 ATOM 552 CE1 TYR 72 -10.016 -5.240 -1.519 1.00 0.00 ATOM 553 CE2 TYR 72 -8.393 -3.490 -1.382 1.00 0.00 ATOM 554 CZ TYR 72 -9.543 -4.093 -0.922 1.00 0.00 ATOM 555 OH TYR 72 -10.220 -3.554 0.145 1.00 0.00 ATOM 556 O TYR 72 -9.512 -3.766 -5.741 1.00 0.00 ATOM 557 C TYR 72 -8.435 -4.318 -5.979 1.00 0.00 ATOM 558 N LEU 73 -7.444 -3.721 -6.633 1.00 0.00 ATOM 559 CA LEU 73 -7.562 -2.356 -7.131 1.00 0.00 ATOM 560 CB LEU 73 -6.243 -1.886 -7.745 1.00 0.00 ATOM 561 CG LEU 73 -5.033 -1.917 -6.814 1.00 0.00 ATOM 562 CD1 LEU 73 -3.793 -1.431 -7.545 1.00 0.00 ATOM 563 CD2 LEU 73 -5.286 -1.068 -5.583 1.00 0.00 ATOM 564 O LEU 73 -9.344 -1.253 -8.289 1.00 0.00 ATOM 565 C LEU 73 -8.658 -2.263 -8.181 1.00 0.00 ATOM 566 N LYS 74 -8.824 -3.328 -8.948 1.00 0.00 ATOM 567 CA LYS 74 -9.804 -3.341 -10.022 1.00 0.00 ATOM 568 CB LYS 74 -9.621 -4.579 -10.904 1.00 0.00 ATOM 569 CG LYS 74 -8.174 -4.868 -11.281 1.00 0.00 ATOM 570 CD LYS 74 -7.508 -3.684 -11.966 1.00 0.00 ATOM 571 CE LYS 74 -6.066 -4.001 -12.336 1.00 0.00 ATOM 572 NZ LYS 74 -5.362 -2.822 -12.909 1.00 0.00 ATOM 573 O LYS 74 -12.115 -2.686 -10.013 1.00 0.00 ATOM 574 C LYS 74 -11.221 -3.320 -9.453 1.00 0.00 ATOM 575 N GLU 75 -11.410 -4.004 -8.330 1.00 0.00 ATOM 576 CA GLU 75 -12.731 -4.129 -7.721 1.00 0.00 ATOM 577 CB GLU 75 -12.819 -5.429 -6.920 1.00 0.00 ATOM 578 CG GLU 75 -12.469 -6.668 -7.730 1.00 0.00 ATOM 579 CD GLU 75 -13.384 -6.876 -8.923 1.00 0.00 ATOM 580 OE1 GLU 75 -14.195 -7.825 -8.896 1.00 0.00 ATOM 581 OE2 GLU 75 -13.296 -6.098 -9.893 1.00 0.00 ATOM 582 O GLU 75 -14.129 -2.357 -6.884 1.00 0.00 ATOM 583 C GLU 75 -13.042 -2.934 -6.819 1.00 0.00 ATOM 584 N ASN 76 -12.076 -2.557 -5.990 1.00 0.00 ATOM 585 CA ASN 76 -12.269 -1.475 -5.026 1.00 0.00 ATOM 586 CB ASN 76 -11.427 -1.730 -3.770 1.00 0.00 ATOM 587 CG ASN 76 -12.083 -1.196 -2.506 1.00 0.00 ATOM 588 ND2 ASN 76 -11.874 0.076 -2.212 1.00 0.00 ATOM 589 OD1 ASN 76 -12.788 -1.925 -1.807 1.00 0.00 ATOM 590 O ASN 76 -11.884 0.891 -4.975 1.00 0.00 ATOM 591 C ASN 76 -11.888 -0.138 -5.648 1.00 0.00 ATOM 592 N GLY 77 -11.572 -0.166 -6.939 1.00 0.00 ATOM 593 CA GLY 77 -11.165 1.035 -7.651 1.00 0.00 ATOM 594 O GLY 77 -11.951 3.260 -8.039 1.00 0.00 ATOM 595 C GLY 77 -12.238 2.106 -7.712 1.00 0.00 ATOM 596 N THR 78 -13.474 1.734 -7.408 1.00 0.00 ATOM 597 CA THR 78 -14.567 2.690 -7.375 1.00 0.00 ATOM 598 CB THR 78 -15.946 1.986 -7.493 1.00 0.00 ATOM 599 CG2 THR 78 -16.120 0.907 -6.428 1.00 0.00 ATOM 600 OG1 THR 78 -17.013 2.942 -7.399 1.00 0.00 ATOM 601 O THR 78 -15.316 3.472 -5.204 1.00 0.00 ATOM 602 C THR 78 -14.487 3.558 -6.111 1.00 0.00 ATOM 603 N TRP 79 -13.450 4.378 -6.054 1.00 0.00 ATOM 604 CA TRP 79 -13.253 5.301 -4.953 1.00 0.00 ATOM 605 CB TRP 79 -12.324 4.687 -3.891 1.00 0.00 ATOM 606 CG TRP 79 -12.354 5.407 -2.570 1.00 0.00 ATOM 607 CD1 TRP 79 -12.181 6.748 -2.352 1.00 0.00 ATOM 608 CD2 TRP 79 -12.561 4.820 -1.278 1.00 0.00 ATOM 609 CE2 TRP 79 -12.520 5.862 -0.332 1.00 0.00 ATOM 610 CE3 TRP 79 -12.782 3.515 -0.832 1.00 0.00 ATOM 611 NE1 TRP 79 -12.289 7.030 -1.013 1.00 0.00 ATOM 612 CZ2 TRP 79 -12.699 5.637 1.031 1.00 0.00 ATOM 613 CZ3 TRP 79 -12.957 3.292 0.521 1.00 0.00 ATOM 614 CH2 TRP 79 -12.915 4.349 1.438 1.00 0.00 ATOM 615 O TRP 79 -11.634 6.593 -6.168 1.00 0.00 ATOM 616 C TRP 79 -12.664 6.603 -5.489 1.00 0.00 ATOM 617 N SER 80 -13.332 7.713 -5.206 1.00 0.00 ATOM 618 CA SER 80 -12.860 9.019 -5.641 1.00 0.00 ATOM 619 CB SER 80 -13.948 10.078 -5.433 1.00 0.00 ATOM 620 OG SER 80 -13.522 11.349 -5.897 1.00 0.00 ATOM 621 O SER 80 -11.639 9.966 -3.794 1.00 0.00 ATOM 622 C SER 80 -11.585 9.411 -4.893 1.00 0.00 ATOM 623 N LYS 81 -10.439 9.101 -5.486 1.00 0.00 ATOM 624 CA LYS 81 -9.155 9.417 -4.883 1.00 0.00 ATOM 625 CB LYS 81 -8.770 8.319 -3.878 1.00 0.00 ATOM 626 CG LYS 81 -8.179 8.838 -2.571 1.00 0.00 ATOM 627 CD LYS 81 -6.786 9.426 -2.750 1.00 0.00 ATOM 628 CE LYS 81 -6.215 9.913 -1.422 1.00 0.00 ATOM 629 NZ LYS 81 -4.806 10.372 -1.553 1.00 0.00 ATOM 630 O LYS 81 -7.773 8.570 -6.647 1.00 0.00 ATOM 631 C LYS 81 -8.086 9.545 -5.967 1.00 0.00 ATOM 632 N ALA 82 -7.585 10.768 -6.153 1.00 0.00 ATOM 633 CA ALA 82 -6.451 11.059 -7.044 1.00 0.00 ATOM 634 CB ALA 82 -5.265 10.159 -6.726 1.00 0.00 ATOM 635 O ALA 82 -6.268 11.767 -9.328 1.00 0.00 ATOM 636 C ALA 82 -6.793 10.985 -8.539 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 T0327.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0327)G48.C and (T0327)V49.C only 0 apart, marking (T0327)V49.C as missing WARNING: atoms too close: (T0327)V49.N and (T0327)H50.N only 0 apart, marking (T0327)V49.N as missing WARNING: atoms too close: (T0327)V49.CA and (T0327)H50.CA only 0 apart, marking (T0327)V49.CA as missing WARNING: atoms too close: (T0327)Y59.C and (T0327)E64.C only 0 apart, marking (T0327)E64.C as missing WARNING: atoms too close: (T0327)K60.N and (T0327)L65.N only 0 apart, marking (T0327)K60.N as missing WARNING: atoms too close: (T0327)K60.CA and (T0327)L65.CA only 0 apart, marking (T0327)K60.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.833 # GDT_score = -60.256 # GDT_score(maxd=8.000,maxw=2.900)= -59.990 # GDT_score(maxd=8.000,maxw=3.200)= -57.872 # GDT_score(maxd=8.000,maxw=3.500)= -55.752 # GDT_score(maxd=10.000,maxw=3.800)= -58.167 # GDT_score(maxd=10.000,maxw=4.000)= -56.795 # GDT_score(maxd=10.000,maxw=4.200)= -55.315 # GDT_score(maxd=12.000,maxw=4.300)= -58.163 # GDT_score(maxd=12.000,maxw=4.500)= -56.695 # GDT_score(maxd=12.000,maxw=4.700)= -55.223 # GDT_score(maxd=14.000,maxw=5.200)= -54.550 # GDT_score(maxd=14.000,maxw=5.500)= -52.451 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.885 # GDT_score = -57.692 # GDT_score(maxd=8.000,maxw=2.900)= -60.086 # GDT_score(maxd=8.000,maxw=3.200)= -56.962 # GDT_score(maxd=8.000,maxw=3.500)= -54.021 # GDT_score(maxd=10.000,maxw=3.800)= -56.626 # GDT_score(maxd=10.000,maxw=4.000)= -54.752 # GDT_score(maxd=10.000,maxw=4.200)= -52.956 # GDT_score(maxd=12.000,maxw=4.300)= -56.420 # GDT_score(maxd=12.000,maxw=4.500)= -54.647 # GDT_score(maxd=12.000,maxw=4.700)= -52.907 # GDT_score(maxd=14.000,maxw=5.200)= -52.287 # GDT_score(maxd=14.000,maxw=5.500)= -50.039 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0327)Y83.C and (T0327)T85.C only 0 apart, marking (T0327)T85.C as missing WARNING: atoms too close: (T0327)K84.N and (T0327)I86.N only 0 apart, marking (T0327)K84.N as missing WARNING: atoms too close: (T0327)K84.CA and (T0327)I86.CA only 0 apart, marking (T0327)K84.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0327)K60.C and (T0327)E64.C only 0 apart, marking (T0327)E64.C as missing WARNING: atoms too close: (T0327)L61.N and (T0327)L65.N only 0 apart, marking (T0327)L61.N as missing WARNING: atoms too close: (T0327)L61.CA and (T0327)L65.CA only 0 apart, marking (T0327)L61.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0327)L61.C and (T0327)L65.C only 0 apart, marking (T0327)L65.C as missing WARNING: atoms too close: (T0327)G62.N and (T0327)T66.N only 0 apart, marking (T0327)G62.N as missing WARNING: atoms too close: (T0327)G62.CA and (T0327)T66.CA only 0 apart, marking (T0327)G62.CA as missing WARNING: atoms too close: (T0327)G69.C and (T0327)L73.C only 0 apart, marking (T0327)L73.C as missing WARNING: atoms too close: (T0327)E70.N and (T0327)K74.N only 0 apart, marking (T0327)E70.N as missing WARNING: atoms too close: (T0327)E70.CA and (T0327)K74.CA only 0 apart, marking (T0327)E70.CA as missing # WARNING: incomplete conformation T0327 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 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0327.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2-proteinshop-2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2-proteinshop.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.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 T0327.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0327.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.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 T0327.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1tbxA-try1-opt2-proteinshop.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1tbxA-try1-opt2-proteinshop # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1tbxA-try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1tbxA-try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1ub9A-dimer11.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1ub9A-dimer11 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer1-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer1-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer2-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer2-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer3-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer3-1tbxA-dimer6 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_220948642.pdb -s /var/tmp/to_scwrl_220948642.seq -o /var/tmp/from_scwrl_220948642.pdb > /var/tmp/scwrl_220948642.log sh: /var/tmp/scwrl_220948642.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_220948642.pdb or /var/tmp/from_scwrl_220948642.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_220948642_b.pdb or decoys//var/tmp/from_scwrl_220948642_b.pdb.gz for input Trying /var/tmp/from_scwrl_220948642_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_220948642_b.pdb or /var/tmp/from_scwrl_220948642_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_220948642_a.pdb or decoys//var/tmp/from_scwrl_220948642_a.pdb.gz for input Trying /var/tmp/from_scwrl_220948642_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_220948642_a.pdb or /var/tmp/from_scwrl_220948642_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_220948642.pdb or /var/tmp/from_scwrl_220948642_b.pdb or /var/tmp/from_scwrl_220948642_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_520110466.pdb -s /var/tmp/to_scwrl_520110466.seq -o /var/tmp/from_scwrl_520110466.pdb > /var/tmp/scwrl_520110466.log sh: /var/tmp/scwrl_520110466.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_520110466.pdb or /var/tmp/from_scwrl_520110466.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_520110466_b.pdb or decoys//var/tmp/from_scwrl_520110466_b.pdb.gz for input Trying /var/tmp/from_scwrl_520110466_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_520110466_b.pdb or /var/tmp/from_scwrl_520110466_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_520110466_a.pdb or decoys//var/tmp/from_scwrl_520110466_a.pdb.gz for input Trying /var/tmp/from_scwrl_520110466_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_520110466_a.pdb or /var/tmp/from_scwrl_520110466_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_520110466.pdb or /var/tmp/from_scwrl_520110466_b.pdb or /var/tmp/from_scwrl_520110466_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_707738100.pdb -s /var/tmp/to_scwrl_707738100.seq -o /var/tmp/from_scwrl_707738100.pdb > /var/tmp/scwrl_707738100.log sh: /var/tmp/scwrl_707738100.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_707738100.pdb or /var/tmp/from_scwrl_707738100.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_707738100_b.pdb or decoys//var/tmp/from_scwrl_707738100_b.pdb.gz for input Trying /var/tmp/from_scwrl_707738100_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_707738100_b.pdb or /var/tmp/from_scwrl_707738100_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_707738100_a.pdb or decoys//var/tmp/from_scwrl_707738100_a.pdb.gz for input Trying /var/tmp/from_scwrl_707738100_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_707738100_a.pdb or /var/tmp/from_scwrl_707738100_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_707738100.pdb or /var/tmp/from_scwrl_707738100_b.pdb or /var/tmp/from_scwrl_707738100_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1643735584.pdb -s /var/tmp/to_scwrl_1643735584.seq -o /var/tmp/from_scwrl_1643735584.pdb > /var/tmp/scwrl_1643735584.log sh: /var/tmp/scwrl_1643735584.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1643735584.pdb or /var/tmp/from_scwrl_1643735584.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1643735584_b.pdb or decoys//var/tmp/from_scwrl_1643735584_b.pdb.gz for input Trying /var/tmp/from_scwrl_1643735584_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1643735584_b.pdb or /var/tmp/from_scwrl_1643735584_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1643735584_a.pdb or decoys//var/tmp/from_scwrl_1643735584_a.pdb.gz for input Trying /var/tmp/from_scwrl_1643735584_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1643735584_a.pdb or /var/tmp/from_scwrl_1643735584_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1643735584.pdb or /var/tmp/from_scwrl_1643735584_b.pdb or /var/tmp/from_scwrl_1643735584_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1533515331.pdb -s /var/tmp/to_scwrl_1533515331.seq -o /var/tmp/from_scwrl_1533515331.pdb > /var/tmp/scwrl_1533515331.log sh: /var/tmp/scwrl_1533515331.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1533515331.pdb or /var/tmp/from_scwrl_1533515331.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1533515331_b.pdb or decoys//var/tmp/from_scwrl_1533515331_b.pdb.gz for input Trying /var/tmp/from_scwrl_1533515331_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1533515331_b.pdb or /var/tmp/from_scwrl_1533515331_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1533515331_a.pdb or decoys//var/tmp/from_scwrl_1533515331_a.pdb.gz for input Trying /var/tmp/from_scwrl_1533515331_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1533515331_a.pdb or /var/tmp/from_scwrl_1533515331_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1533515331.pdb or /var/tmp/from_scwrl_1533515331_b.pdb or /var/tmp/from_scwrl_1533515331_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2112189452.pdb -s /var/tmp/to_scwrl_2112189452.seq -o /var/tmp/from_scwrl_2112189452.pdb > /var/tmp/scwrl_2112189452.log sh: /var/tmp/scwrl_2112189452.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2112189452.pdb or /var/tmp/from_scwrl_2112189452.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2112189452_b.pdb or decoys//var/tmp/from_scwrl_2112189452_b.pdb.gz for input Trying /var/tmp/from_scwrl_2112189452_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2112189452_b.pdb or /var/tmp/from_scwrl_2112189452_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2112189452_a.pdb or decoys//var/tmp/from_scwrl_2112189452_a.pdb.gz for input Trying /var/tmp/from_scwrl_2112189452_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2112189452_a.pdb or /var/tmp/from_scwrl_2112189452_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2112189452.pdb or /var/tmp/from_scwrl_2112189452_b.pdb or /var/tmp/from_scwrl_2112189452_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_358114582.pdb -s /var/tmp/to_scwrl_358114582.seq -o /var/tmp/from_scwrl_358114582.pdb > /var/tmp/scwrl_358114582.log sh: /var/tmp/scwrl_358114582.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_358114582.pdb or /var/tmp/from_scwrl_358114582.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_358114582_b.pdb or decoys//var/tmp/from_scwrl_358114582_b.pdb.gz for input Trying /var/tmp/from_scwrl_358114582_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_358114582_b.pdb or /var/tmp/from_scwrl_358114582_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_358114582_a.pdb or decoys//var/tmp/from_scwrl_358114582_a.pdb.gz for input Trying /var/tmp/from_scwrl_358114582_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_358114582_a.pdb or /var/tmp/from_scwrl_358114582_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_358114582.pdb or /var/tmp/from_scwrl_358114582_b.pdb or /var/tmp/from_scwrl_358114582_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_511573448.pdb -s /var/tmp/to_scwrl_511573448.seq -o /var/tmp/from_scwrl_511573448.pdb > /var/tmp/scwrl_511573448.log sh: /var/tmp/scwrl_511573448.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_511573448.pdb or /var/tmp/from_scwrl_511573448.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_511573448_b.pdb or decoys//var/tmp/from_scwrl_511573448_b.pdb.gz for input Trying /var/tmp/from_scwrl_511573448_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_511573448_b.pdb or /var/tmp/from_scwrl_511573448_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_511573448_a.pdb or decoys//var/tmp/from_scwrl_511573448_a.pdb.gz for input Trying /var/tmp/from_scwrl_511573448_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_511573448_a.pdb or /var/tmp/from_scwrl_511573448_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_511573448.pdb or /var/tmp/from_scwrl_511573448_b.pdb or /var/tmp/from_scwrl_511573448_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1947647999.pdb -s /var/tmp/to_scwrl_1947647999.seq -o /var/tmp/from_scwrl_1947647999.pdb > /var/tmp/scwrl_1947647999.log sh: /var/tmp/scwrl_1947647999.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1947647999.pdb or /var/tmp/from_scwrl_1947647999.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1947647999_b.pdb or decoys//var/tmp/from_scwrl_1947647999_b.pdb.gz for input Trying /var/tmp/from_scwrl_1947647999_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1947647999_b.pdb or /var/tmp/from_scwrl_1947647999_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1947647999_a.pdb or decoys//var/tmp/from_scwrl_1947647999_a.pdb.gz for input Trying /var/tmp/from_scwrl_1947647999_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1947647999_a.pdb or /var/tmp/from_scwrl_1947647999_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1947647999.pdb or /var/tmp/from_scwrl_1947647999_b.pdb or /var/tmp/from_scwrl_1947647999_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1066681.pdb -s /var/tmp/to_scwrl_1066681.seq -o /var/tmp/from_scwrl_1066681.pdb > /var/tmp/scwrl_1066681.log sh: /var/tmp/scwrl_1066681.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1066681.pdb or /var/tmp/from_scwrl_1066681.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066681_b.pdb or decoys//var/tmp/from_scwrl_1066681_b.pdb.gz for input Trying /var/tmp/from_scwrl_1066681_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066681_b.pdb or /var/tmp/from_scwrl_1066681_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066681_a.pdb or decoys//var/tmp/from_scwrl_1066681_a.pdb.gz for input Trying /var/tmp/from_scwrl_1066681_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066681_a.pdb or /var/tmp/from_scwrl_1066681_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1066681.pdb or /var/tmp/from_scwrl_1066681_b.pdb or /var/tmp/from_scwrl_1066681_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1536033361.pdb -s /var/tmp/to_scwrl_1536033361.seq -o /var/tmp/from_scwrl_1536033361.pdb > /var/tmp/scwrl_1536033361.log sh: /var/tmp/scwrl_1536033361.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1536033361.pdb or /var/tmp/from_scwrl_1536033361.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1536033361_b.pdb or decoys//var/tmp/from_scwrl_1536033361_b.pdb.gz for input Trying /var/tmp/from_scwrl_1536033361_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1536033361_b.pdb or /var/tmp/from_scwrl_1536033361_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1536033361_a.pdb or decoys//var/tmp/from_scwrl_1536033361_a.pdb.gz for input Trying /var/tmp/from_scwrl_1536033361_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1536033361_a.pdb or /var/tmp/from_scwrl_1536033361_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1536033361.pdb or /var/tmp/from_scwrl_1536033361_b.pdb or /var/tmp/from_scwrl_1536033361_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1369894127.pdb -s /var/tmp/to_scwrl_1369894127.seq -o /var/tmp/from_scwrl_1369894127.pdb > /var/tmp/scwrl_1369894127.log sh: /var/tmp/scwrl_1369894127.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1369894127.pdb or /var/tmp/from_scwrl_1369894127.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1369894127_b.pdb or decoys//var/tmp/from_scwrl_1369894127_b.pdb.gz for input Trying /var/tmp/from_scwrl_1369894127_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1369894127_b.pdb or /var/tmp/from_scwrl_1369894127_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1369894127_a.pdb or decoys//var/tmp/from_scwrl_1369894127_a.pdb.gz for input Trying /var/tmp/from_scwrl_1369894127_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1369894127_a.pdb or /var/tmp/from_scwrl_1369894127_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1369894127.pdb or /var/tmp/from_scwrl_1369894127_b.pdb or /var/tmp/from_scwrl_1369894127_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 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_3517825.pdb -s /var/tmp/to_scwrl_3517825.seq -o /var/tmp/from_scwrl_3517825.pdb > /var/tmp/scwrl_3517825.log sh: /var/tmp/scwrl_3517825.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_3517825.pdb or /var/tmp/from_scwrl_3517825.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3517825_b.pdb or decoys//var/tmp/from_scwrl_3517825_b.pdb.gz for input Trying /var/tmp/from_scwrl_3517825_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_3517825_b.pdb or /var/tmp/from_scwrl_3517825_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3517825_a.pdb or decoys//var/tmp/from_scwrl_3517825_a.pdb.gz for input Trying /var/tmp/from_scwrl_3517825_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_3517825_a.pdb or /var/tmp/from_scwrl_3517825_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_3517825.pdb or /var/tmp/from_scwrl_3517825_b.pdb or /var/tmp/from_scwrl_3517825_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_700761400.pdb -s /var/tmp/to_scwrl_700761400.seq -o /var/tmp/from_scwrl_700761400.pdb > /var/tmp/scwrl_700761400.log sh: /var/tmp/scwrl_700761400.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_700761400.pdb or /var/tmp/from_scwrl_700761400.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_700761400_b.pdb or decoys//var/tmp/from_scwrl_700761400_b.pdb.gz for input Trying /var/tmp/from_scwrl_700761400_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_700761400_b.pdb or /var/tmp/from_scwrl_700761400_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_700761400_a.pdb or decoys//var/tmp/from_scwrl_700761400_a.pdb.gz for input Trying /var/tmp/from_scwrl_700761400_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_700761400_a.pdb or /var/tmp/from_scwrl_700761400_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_700761400.pdb or /var/tmp/from_scwrl_700761400_b.pdb or /var/tmp/from_scwrl_700761400_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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1307757119.pdb -s /var/tmp/to_scwrl_1307757119.seq -o /var/tmp/from_scwrl_1307757119.pdb > /var/tmp/scwrl_1307757119.log sh: /var/tmp/scwrl_1307757119.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1307757119.pdb or /var/tmp/from_scwrl_1307757119.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1307757119_b.pdb or decoys//var/tmp/from_scwrl_1307757119_b.pdb.gz for input Trying /var/tmp/from_scwrl_1307757119_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1307757119_b.pdb or /var/tmp/from_scwrl_1307757119_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1307757119_a.pdb or decoys//var/tmp/from_scwrl_1307757119_a.pdb.gz for input Trying /var/tmp/from_scwrl_1307757119_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1307757119_a.pdb or /var/tmp/from_scwrl_1307757119_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1307757119.pdb or /var/tmp/from_scwrl_1307757119_b.pdb or /var/tmp/from_scwrl_1307757119_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 # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_314465042.pdb -s /var/tmp/to_scwrl_314465042.seq -o /var/tmp/from_scwrl_314465042.pdb > /var/tmp/scwrl_314465042.log sh: /var/tmp/scwrl_314465042.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_314465042.pdb or /var/tmp/from_scwrl_314465042.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_314465042_b.pdb or decoys//var/tmp/from_scwrl_314465042_b.pdb.gz for input Trying /var/tmp/from_scwrl_314465042_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_314465042_b.pdb or /var/tmp/from_scwrl_314465042_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_314465042_a.pdb or decoys//var/tmp/from_scwrl_314465042_a.pdb.gz for input Trying /var/tmp/from_scwrl_314465042_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_314465042_a.pdb or /var/tmp/from_scwrl_314465042_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_314465042.pdb or /var/tmp/from_scwrl_314465042_b.pdb or /var/tmp/from_scwrl_314465042_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_614518448.pdb -s /var/tmp/to_scwrl_614518448.seq -o /var/tmp/from_scwrl_614518448.pdb > /var/tmp/scwrl_614518448.log sh: /var/tmp/scwrl_614518448.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_614518448.pdb or /var/tmp/from_scwrl_614518448.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_614518448_b.pdb or decoys//var/tmp/from_scwrl_614518448_b.pdb.gz for input Trying /var/tmp/from_scwrl_614518448_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_614518448_b.pdb or /var/tmp/from_scwrl_614518448_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_614518448_a.pdb or decoys//var/tmp/from_scwrl_614518448_a.pdb.gz for input Trying /var/tmp/from_scwrl_614518448_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_614518448_a.pdb or /var/tmp/from_scwrl_614518448_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_614518448.pdb or /var/tmp/from_scwrl_614518448_b.pdb or /var/tmp/from_scwrl_614518448_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 # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_356474714.pdb -s /var/tmp/to_scwrl_356474714.seq -o /var/tmp/from_scwrl_356474714.pdb > /var/tmp/scwrl_356474714.log sh: /var/tmp/scwrl_356474714.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_356474714.pdb or /var/tmp/from_scwrl_356474714.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_356474714_b.pdb or decoys//var/tmp/from_scwrl_356474714_b.pdb.gz for input Trying /var/tmp/from_scwrl_356474714_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_356474714_b.pdb or /var/tmp/from_scwrl_356474714_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_356474714_a.pdb or decoys//var/tmp/from_scwrl_356474714_a.pdb.gz for input Trying /var/tmp/from_scwrl_356474714_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_356474714_a.pdb or /var/tmp/from_scwrl_356474714_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_356474714.pdb or /var/tmp/from_scwrl_356474714_b.pdb or /var/tmp/from_scwrl_356474714_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1388067277.pdb -s /var/tmp/to_scwrl_1388067277.seq -o /var/tmp/from_scwrl_1388067277.pdb > /var/tmp/scwrl_1388067277.log sh: /var/tmp/scwrl_1388067277.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1388067277.pdb or /var/tmp/from_scwrl_1388067277.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1388067277_b.pdb or decoys//var/tmp/from_scwrl_1388067277_b.pdb.gz for input Trying /var/tmp/from_scwrl_1388067277_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1388067277_b.pdb or /var/tmp/from_scwrl_1388067277_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1388067277_a.pdb or decoys//var/tmp/from_scwrl_1388067277_a.pdb.gz for input Trying /var/tmp/from_scwrl_1388067277_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1388067277_a.pdb or /var/tmp/from_scwrl_1388067277_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1388067277.pdb or /var/tmp/from_scwrl_1388067277_b.pdb or /var/tmp/from_scwrl_1388067277_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_463512989.pdb -s /var/tmp/to_scwrl_463512989.seq -o /var/tmp/from_scwrl_463512989.pdb > /var/tmp/scwrl_463512989.log sh: /var/tmp/scwrl_463512989.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_463512989.pdb or /var/tmp/from_scwrl_463512989.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_463512989_b.pdb or decoys//var/tmp/from_scwrl_463512989_b.pdb.gz for input Trying /var/tmp/from_scwrl_463512989_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_463512989_b.pdb or /var/tmp/from_scwrl_463512989_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_463512989_a.pdb or decoys//var/tmp/from_scwrl_463512989_a.pdb.gz for input Trying /var/tmp/from_scwrl_463512989_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_463512989_a.pdb or /var/tmp/from_scwrl_463512989_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_463512989.pdb or /var/tmp/from_scwrl_463512989_b.pdb or /var/tmp/from_scwrl_463512989_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 97 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1655218562.pdb -s /var/tmp/to_scwrl_1655218562.seq -o /var/tmp/from_scwrl_1655218562.pdb > /var/tmp/scwrl_1655218562.log sh: /var/tmp/scwrl_1655218562.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1655218562.pdb or /var/tmp/from_scwrl_1655218562.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1655218562_b.pdb or decoys//var/tmp/from_scwrl_1655218562_b.pdb.gz for input Trying /var/tmp/from_scwrl_1655218562_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1655218562_b.pdb or /var/tmp/from_scwrl_1655218562_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1655218562_a.pdb or decoys//var/tmp/from_scwrl_1655218562_a.pdb.gz for input Trying /var/tmp/from_scwrl_1655218562_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1655218562_a.pdb or /var/tmp/from_scwrl_1655218562_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1655218562.pdb or /var/tmp/from_scwrl_1655218562_b.pdb or /var/tmp/from_scwrl_1655218562_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 78 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_536390869.pdb -s /var/tmp/to_scwrl_536390869.seq -o /var/tmp/from_scwrl_536390869.pdb > /var/tmp/scwrl_536390869.log sh: /var/tmp/scwrl_536390869.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_536390869.pdb or /var/tmp/from_scwrl_536390869.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_536390869_b.pdb or decoys//var/tmp/from_scwrl_536390869_b.pdb.gz for input Trying /var/tmp/from_scwrl_536390869_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_536390869_b.pdb or /var/tmp/from_scwrl_536390869_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_536390869_a.pdb or decoys//var/tmp/from_scwrl_536390869_a.pdb.gz for input Trying /var/tmp/from_scwrl_536390869_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_536390869_a.pdb or /var/tmp/from_scwrl_536390869_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_536390869.pdb or /var/tmp/from_scwrl_536390869_b.pdb or /var/tmp/from_scwrl_536390869_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 52 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_715533036.pdb -s /var/tmp/to_scwrl_715533036.seq -o /var/tmp/from_scwrl_715533036.pdb > /var/tmp/scwrl_715533036.log sh: /var/tmp/scwrl_715533036.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_715533036.pdb or /var/tmp/from_scwrl_715533036.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_715533036_b.pdb or decoys//var/tmp/from_scwrl_715533036_b.pdb.gz for input Trying /var/tmp/from_scwrl_715533036_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_715533036_b.pdb or /var/tmp/from_scwrl_715533036_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_715533036_a.pdb or decoys//var/tmp/from_scwrl_715533036_a.pdb.gz for input Trying /var/tmp/from_scwrl_715533036_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_715533036_a.pdb or /var/tmp/from_scwrl_715533036_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_715533036.pdb or /var/tmp/from_scwrl_715533036_b.pdb or /var/tmp/from_scwrl_715533036_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 97 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1230351682.pdb -s /var/tmp/to_scwrl_1230351682.seq -o /var/tmp/from_scwrl_1230351682.pdb > /var/tmp/scwrl_1230351682.log sh: /var/tmp/scwrl_1230351682.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1230351682.pdb or /var/tmp/from_scwrl_1230351682.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1230351682_b.pdb or decoys//var/tmp/from_scwrl_1230351682_b.pdb.gz for input Trying /var/tmp/from_scwrl_1230351682_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1230351682_b.pdb or /var/tmp/from_scwrl_1230351682_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1230351682_a.pdb or decoys//var/tmp/from_scwrl_1230351682_a.pdb.gz for input Trying /var/tmp/from_scwrl_1230351682_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1230351682_a.pdb or /var/tmp/from_scwrl_1230351682_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1230351682.pdb or /var/tmp/from_scwrl_1230351682_b.pdb or /var/tmp/from_scwrl_1230351682_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 73 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1620349153.pdb -s /var/tmp/to_scwrl_1620349153.seq -o /var/tmp/from_scwrl_1620349153.pdb > /var/tmp/scwrl_1620349153.log sh: /var/tmp/scwrl_1620349153.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1620349153.pdb or /var/tmp/from_scwrl_1620349153.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1620349153_b.pdb or decoys//var/tmp/from_scwrl_1620349153_b.pdb.gz for input Trying /var/tmp/from_scwrl_1620349153_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1620349153_b.pdb or /var/tmp/from_scwrl_1620349153_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1620349153_a.pdb or decoys//var/tmp/from_scwrl_1620349153_a.pdb.gz for input Trying /var/tmp/from_scwrl_1620349153_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1620349153_a.pdb or /var/tmp/from_scwrl_1620349153_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1620349153.pdb or /var/tmp/from_scwrl_1620349153_b.pdb or /var/tmp/from_scwrl_1620349153_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 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_75971764.pdb -s /var/tmp/to_scwrl_75971764.seq -o /var/tmp/from_scwrl_75971764.pdb > /var/tmp/scwrl_75971764.log sh: /var/tmp/scwrl_75971764.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_75971764.pdb or /var/tmp/from_scwrl_75971764.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_75971764_b.pdb or decoys//var/tmp/from_scwrl_75971764_b.pdb.gz for input Trying /var/tmp/from_scwrl_75971764_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_75971764_b.pdb or /var/tmp/from_scwrl_75971764_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_75971764_a.pdb or decoys//var/tmp/from_scwrl_75971764_a.pdb.gz for input Trying /var/tmp/from_scwrl_75971764_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_75971764_a.pdb or /var/tmp/from_scwrl_75971764_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_75971764.pdb or /var/tmp/from_scwrl_75971764_b.pdb or /var/tmp/from_scwrl_75971764_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 69 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_109812074.pdb -s /var/tmp/to_scwrl_109812074.seq -o /var/tmp/from_scwrl_109812074.pdb > /var/tmp/scwrl_109812074.log sh: /var/tmp/scwrl_109812074.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_109812074.pdb or /var/tmp/from_scwrl_109812074.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_109812074_b.pdb or decoys//var/tmp/from_scwrl_109812074_b.pdb.gz for input Trying /var/tmp/from_scwrl_109812074_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_109812074_b.pdb or /var/tmp/from_scwrl_109812074_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_109812074_a.pdb or decoys//var/tmp/from_scwrl_109812074_a.pdb.gz for input Trying /var/tmp/from_scwrl_109812074_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_109812074_a.pdb or /var/tmp/from_scwrl_109812074_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_109812074.pdb or /var/tmp/from_scwrl_109812074_b.pdb or /var/tmp/from_scwrl_109812074_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 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1990494993.pdb -s /var/tmp/to_scwrl_1990494993.seq -o /var/tmp/from_scwrl_1990494993.pdb > /var/tmp/scwrl_1990494993.log sh: /var/tmp/scwrl_1990494993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1990494993.pdb or /var/tmp/from_scwrl_1990494993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1990494993_b.pdb or decoys//var/tmp/from_scwrl_1990494993_b.pdb.gz for input Trying /var/tmp/from_scwrl_1990494993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1990494993_b.pdb or /var/tmp/from_scwrl_1990494993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1990494993_a.pdb or decoys//var/tmp/from_scwrl_1990494993_a.pdb.gz for input Trying /var/tmp/from_scwrl_1990494993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1990494993_a.pdb or /var/tmp/from_scwrl_1990494993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1990494993.pdb or /var/tmp/from_scwrl_1990494993_b.pdb or /var/tmp/from_scwrl_1990494993_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 # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1064041803.pdb -s /var/tmp/to_scwrl_1064041803.seq -o /var/tmp/from_scwrl_1064041803.pdb > /var/tmp/scwrl_1064041803.log sh: /var/tmp/scwrl_1064041803.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1064041803.pdb or /var/tmp/from_scwrl_1064041803.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1064041803_b.pdb or decoys//var/tmp/from_scwrl_1064041803_b.pdb.gz for input Trying /var/tmp/from_scwrl_1064041803_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1064041803_b.pdb or /var/tmp/from_scwrl_1064041803_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1064041803_a.pdb or decoys//var/tmp/from_scwrl_1064041803_a.pdb.gz for input Trying /var/tmp/from_scwrl_1064041803_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1064041803_a.pdb or /var/tmp/from_scwrl_1064041803_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1064041803.pdb or /var/tmp/from_scwrl_1064041803_b.pdb or /var/tmp/from_scwrl_1064041803_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 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_645680612.pdb -s /var/tmp/to_scwrl_645680612.seq -o /var/tmp/from_scwrl_645680612.pdb > /var/tmp/scwrl_645680612.log sh: /var/tmp/scwrl_645680612.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_645680612.pdb or /var/tmp/from_scwrl_645680612.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_645680612_b.pdb or decoys//var/tmp/from_scwrl_645680612_b.pdb.gz for input Trying /var/tmp/from_scwrl_645680612_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_645680612_b.pdb or /var/tmp/from_scwrl_645680612_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_645680612_a.pdb or decoys//var/tmp/from_scwrl_645680612_a.pdb.gz for input Trying /var/tmp/from_scwrl_645680612_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_645680612_a.pdb or /var/tmp/from_scwrl_645680612_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_645680612.pdb or /var/tmp/from_scwrl_645680612_b.pdb or /var/tmp/from_scwrl_645680612_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 # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_850964720.pdb -s /var/tmp/to_scwrl_850964720.seq -o /var/tmp/from_scwrl_850964720.pdb > /var/tmp/scwrl_850964720.log sh: /var/tmp/scwrl_850964720.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_850964720.pdb or /var/tmp/from_scwrl_850964720.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_850964720_b.pdb or decoys//var/tmp/from_scwrl_850964720_b.pdb.gz for input Trying /var/tmp/from_scwrl_850964720_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_850964720_b.pdb or /var/tmp/from_scwrl_850964720_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_850964720_a.pdb or decoys//var/tmp/from_scwrl_850964720_a.pdb.gz for input Trying /var/tmp/from_scwrl_850964720_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_850964720_a.pdb or /var/tmp/from_scwrl_850964720_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_850964720.pdb or /var/tmp/from_scwrl_850964720_b.pdb or /var/tmp/from_scwrl_850964720_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 79 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1284990444.pdb -s /var/tmp/to_scwrl_1284990444.seq -o /var/tmp/from_scwrl_1284990444.pdb > /var/tmp/scwrl_1284990444.log sh: /var/tmp/scwrl_1284990444.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1284990444.pdb or /var/tmp/from_scwrl_1284990444.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1284990444_b.pdb or decoys//var/tmp/from_scwrl_1284990444_b.pdb.gz for input Trying /var/tmp/from_scwrl_1284990444_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1284990444_b.pdb or /var/tmp/from_scwrl_1284990444_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1284990444_a.pdb or decoys//var/tmp/from_scwrl_1284990444_a.pdb.gz for input Trying /var/tmp/from_scwrl_1284990444_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1284990444_a.pdb or /var/tmp/from_scwrl_1284990444_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1284990444.pdb or /var/tmp/from_scwrl_1284990444_b.pdb or /var/tmp/from_scwrl_1284990444_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1165791077.pdb -s /var/tmp/to_scwrl_1165791077.seq -o /var/tmp/from_scwrl_1165791077.pdb > /var/tmp/scwrl_1165791077.log sh: /var/tmp/scwrl_1165791077.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1165791077.pdb or /var/tmp/from_scwrl_1165791077.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1165791077_b.pdb or decoys//var/tmp/from_scwrl_1165791077_b.pdb.gz for input Trying /var/tmp/from_scwrl_1165791077_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1165791077_b.pdb or /var/tmp/from_scwrl_1165791077_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1165791077_a.pdb or decoys//var/tmp/from_scwrl_1165791077_a.pdb.gz for input Trying /var/tmp/from_scwrl_1165791077_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1165791077_a.pdb or /var/tmp/from_scwrl_1165791077_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1165791077.pdb or /var/tmp/from_scwrl_1165791077_b.pdb or /var/tmp/from_scwrl_1165791077_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 T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1558702819.pdb -s /var/tmp/to_scwrl_1558702819.seq -o /var/tmp/from_scwrl_1558702819.pdb > /var/tmp/scwrl_1558702819.log sh: /var/tmp/scwrl_1558702819.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1558702819.pdb or /var/tmp/from_scwrl_1558702819.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1558702819_b.pdb or decoys//var/tmp/from_scwrl_1558702819_b.pdb.gz for input Trying /var/tmp/from_scwrl_1558702819_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1558702819_b.pdb or /var/tmp/from_scwrl_1558702819_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1558702819_a.pdb or decoys//var/tmp/from_scwrl_1558702819_a.pdb.gz for input Trying /var/tmp/from_scwrl_1558702819_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1558702819_a.pdb or /var/tmp/from_scwrl_1558702819_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1558702819.pdb or /var/tmp/from_scwrl_1558702819_b.pdb or /var/tmp/from_scwrl_1558702819_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 T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_781242383.pdb -s /var/tmp/to_scwrl_781242383.seq -o /var/tmp/from_scwrl_781242383.pdb > /var/tmp/scwrl_781242383.log sh: /var/tmp/scwrl_781242383.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_781242383.pdb or /var/tmp/from_scwrl_781242383.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_781242383_b.pdb or decoys//var/tmp/from_scwrl_781242383_b.pdb.gz for input Trying /var/tmp/from_scwrl_781242383_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_781242383_b.pdb or /var/tmp/from_scwrl_781242383_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_781242383_a.pdb or decoys//var/tmp/from_scwrl_781242383_a.pdb.gz for input Trying /var/tmp/from_scwrl_781242383_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_781242383_a.pdb or /var/tmp/from_scwrl_781242383_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_781242383.pdb or /var/tmp/from_scwrl_781242383_b.pdb or /var/tmp/from_scwrl_781242383_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 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_551822762.pdb -s /var/tmp/to_scwrl_551822762.seq -o /var/tmp/from_scwrl_551822762.pdb > /var/tmp/scwrl_551822762.log sh: /var/tmp/scwrl_551822762.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_551822762.pdb or /var/tmp/from_scwrl_551822762.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_551822762_b.pdb or decoys//var/tmp/from_scwrl_551822762_b.pdb.gz for input Trying /var/tmp/from_scwrl_551822762_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_551822762_b.pdb or /var/tmp/from_scwrl_551822762_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_551822762_a.pdb or decoys//var/tmp/from_scwrl_551822762_a.pdb.gz for input Trying /var/tmp/from_scwrl_551822762_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_551822762_a.pdb or /var/tmp/from_scwrl_551822762_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_551822762.pdb or /var/tmp/from_scwrl_551822762_b.pdb or /var/tmp/from_scwrl_551822762_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1523408624.pdb -s /var/tmp/to_scwrl_1523408624.seq -o /var/tmp/from_scwrl_1523408624.pdb > /var/tmp/scwrl_1523408624.log sh: /var/tmp/scwrl_1523408624.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1523408624.pdb or /var/tmp/from_scwrl_1523408624.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1523408624_b.pdb or decoys//var/tmp/from_scwrl_1523408624_b.pdb.gz for input Trying /var/tmp/from_scwrl_1523408624_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1523408624_b.pdb or /var/tmp/from_scwrl_1523408624_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1523408624_a.pdb or decoys//var/tmp/from_scwrl_1523408624_a.pdb.gz for input Trying /var/tmp/from_scwrl_1523408624_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1523408624_a.pdb or /var/tmp/from_scwrl_1523408624_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1523408624.pdb or /var/tmp/from_scwrl_1523408624_b.pdb or /var/tmp/from_scwrl_1523408624_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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1139356964.pdb -s /var/tmp/to_scwrl_1139356964.seq -o /var/tmp/from_scwrl_1139356964.pdb > /var/tmp/scwrl_1139356964.log sh: /var/tmp/scwrl_1139356964.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1139356964.pdb or /var/tmp/from_scwrl_1139356964.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1139356964_b.pdb or decoys//var/tmp/from_scwrl_1139356964_b.pdb.gz for input Trying /var/tmp/from_scwrl_1139356964_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1139356964_b.pdb or /var/tmp/from_scwrl_1139356964_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1139356964_a.pdb or decoys//var/tmp/from_scwrl_1139356964_a.pdb.gz for input Trying /var/tmp/from_scwrl_1139356964_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1139356964_a.pdb or /var/tmp/from_scwrl_1139356964_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1139356964.pdb or /var/tmp/from_scwrl_1139356964_b.pdb or /var/tmp/from_scwrl_1139356964_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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1063396211.pdb -s /var/tmp/to_scwrl_1063396211.seq -o /var/tmp/from_scwrl_1063396211.pdb > /var/tmp/scwrl_1063396211.log sh: /var/tmp/scwrl_1063396211.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1063396211.pdb or /var/tmp/from_scwrl_1063396211.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1063396211_b.pdb or decoys//var/tmp/from_scwrl_1063396211_b.pdb.gz for input Trying /var/tmp/from_scwrl_1063396211_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1063396211_b.pdb or /var/tmp/from_scwrl_1063396211_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1063396211_a.pdb or decoys//var/tmp/from_scwrl_1063396211_a.pdb.gz for input Trying /var/tmp/from_scwrl_1063396211_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1063396211_a.pdb or /var/tmp/from_scwrl_1063396211_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1063396211.pdb or /var/tmp/from_scwrl_1063396211_b.pdb or /var/tmp/from_scwrl_1063396211_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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1323572976.pdb -s /var/tmp/to_scwrl_1323572976.seq -o /var/tmp/from_scwrl_1323572976.pdb > /var/tmp/scwrl_1323572976.log sh: /var/tmp/scwrl_1323572976.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1323572976.pdb or /var/tmp/from_scwrl_1323572976.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1323572976_b.pdb or decoys//var/tmp/from_scwrl_1323572976_b.pdb.gz for input Trying /var/tmp/from_scwrl_1323572976_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1323572976_b.pdb or /var/tmp/from_scwrl_1323572976_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1323572976_a.pdb or decoys//var/tmp/from_scwrl_1323572976_a.pdb.gz for input Trying /var/tmp/from_scwrl_1323572976_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1323572976_a.pdb or /var/tmp/from_scwrl_1323572976_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1323572976.pdb or /var/tmp/from_scwrl_1323572976_b.pdb or /var/tmp/from_scwrl_1323572976_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1140423645.pdb -s /var/tmp/to_scwrl_1140423645.seq -o /var/tmp/from_scwrl_1140423645.pdb > /var/tmp/scwrl_1140423645.log sh: /var/tmp/scwrl_1140423645.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1140423645.pdb or /var/tmp/from_scwrl_1140423645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1140423645_b.pdb or decoys//var/tmp/from_scwrl_1140423645_b.pdb.gz for input Trying /var/tmp/from_scwrl_1140423645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1140423645_b.pdb or /var/tmp/from_scwrl_1140423645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1140423645_a.pdb or decoys//var/tmp/from_scwrl_1140423645_a.pdb.gz for input Trying /var/tmp/from_scwrl_1140423645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1140423645_a.pdb or /var/tmp/from_scwrl_1140423645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1140423645.pdb or /var/tmp/from_scwrl_1140423645_b.pdb or /var/tmp/from_scwrl_1140423645_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_451945925.pdb -s /var/tmp/to_scwrl_451945925.seq -o /var/tmp/from_scwrl_451945925.pdb > /var/tmp/scwrl_451945925.log sh: /var/tmp/scwrl_451945925.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_451945925.pdb or /var/tmp/from_scwrl_451945925.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_451945925_b.pdb or decoys//var/tmp/from_scwrl_451945925_b.pdb.gz for input Trying /var/tmp/from_scwrl_451945925_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_451945925_b.pdb or /var/tmp/from_scwrl_451945925_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_451945925_a.pdb or decoys//var/tmp/from_scwrl_451945925_a.pdb.gz for input Trying /var/tmp/from_scwrl_451945925_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_451945925_a.pdb or /var/tmp/from_scwrl_451945925_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_451945925.pdb or /var/tmp/from_scwrl_451945925_b.pdb or /var/tmp/from_scwrl_451945925_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_545983458.pdb -s /var/tmp/to_scwrl_545983458.seq -o /var/tmp/from_scwrl_545983458.pdb > /var/tmp/scwrl_545983458.log sh: /var/tmp/scwrl_545983458.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_545983458.pdb or /var/tmp/from_scwrl_545983458.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_545983458_b.pdb or decoys//var/tmp/from_scwrl_545983458_b.pdb.gz for input Trying /var/tmp/from_scwrl_545983458_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_545983458_b.pdb or /var/tmp/from_scwrl_545983458_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_545983458_a.pdb or decoys//var/tmp/from_scwrl_545983458_a.pdb.gz for input Trying /var/tmp/from_scwrl_545983458_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_545983458_a.pdb or /var/tmp/from_scwrl_545983458_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_545983458.pdb or /var/tmp/from_scwrl_545983458_b.pdb or /var/tmp/from_scwrl_545983458_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1143941470.pdb -s /var/tmp/to_scwrl_1143941470.seq -o /var/tmp/from_scwrl_1143941470.pdb > /var/tmp/scwrl_1143941470.log sh: /var/tmp/scwrl_1143941470.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1143941470.pdb or /var/tmp/from_scwrl_1143941470.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1143941470_b.pdb or decoys//var/tmp/from_scwrl_1143941470_b.pdb.gz for input Trying /var/tmp/from_scwrl_1143941470_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1143941470_b.pdb or /var/tmp/from_scwrl_1143941470_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1143941470_a.pdb or decoys//var/tmp/from_scwrl_1143941470_a.pdb.gz for input Trying /var/tmp/from_scwrl_1143941470_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1143941470_a.pdb or /var/tmp/from_scwrl_1143941470_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1143941470.pdb or /var/tmp/from_scwrl_1143941470_b.pdb or /var/tmp/from_scwrl_1143941470_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1152707324.pdb -s /var/tmp/to_scwrl_1152707324.seq -o /var/tmp/from_scwrl_1152707324.pdb > /var/tmp/scwrl_1152707324.log sh: /var/tmp/scwrl_1152707324.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1152707324.pdb or /var/tmp/from_scwrl_1152707324.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1152707324_b.pdb or decoys//var/tmp/from_scwrl_1152707324_b.pdb.gz for input Trying /var/tmp/from_scwrl_1152707324_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1152707324_b.pdb or /var/tmp/from_scwrl_1152707324_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1152707324_a.pdb or decoys//var/tmp/from_scwrl_1152707324_a.pdb.gz for input Trying /var/tmp/from_scwrl_1152707324_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1152707324_a.pdb or /var/tmp/from_scwrl_1152707324_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1152707324.pdb or /var/tmp/from_scwrl_1152707324_b.pdb or /var/tmp/from_scwrl_1152707324_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1853740577.pdb -s /var/tmp/to_scwrl_1853740577.seq -o /var/tmp/from_scwrl_1853740577.pdb > /var/tmp/scwrl_1853740577.log sh: /var/tmp/scwrl_1853740577.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1853740577.pdb or /var/tmp/from_scwrl_1853740577.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1853740577_b.pdb or decoys//var/tmp/from_scwrl_1853740577_b.pdb.gz for input Trying /var/tmp/from_scwrl_1853740577_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1853740577_b.pdb or /var/tmp/from_scwrl_1853740577_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1853740577_a.pdb or decoys//var/tmp/from_scwrl_1853740577_a.pdb.gz for input Trying /var/tmp/from_scwrl_1853740577_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1853740577_a.pdb or /var/tmp/from_scwrl_1853740577_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1853740577.pdb or /var/tmp/from_scwrl_1853740577_b.pdb or /var/tmp/from_scwrl_1853740577_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 100 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1458406512.pdb -s /var/tmp/to_scwrl_1458406512.seq -o /var/tmp/from_scwrl_1458406512.pdb > /var/tmp/scwrl_1458406512.log sh: /var/tmp/scwrl_1458406512.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1458406512.pdb or /var/tmp/from_scwrl_1458406512.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1458406512_b.pdb or decoys//var/tmp/from_scwrl_1458406512_b.pdb.gz for input Trying /var/tmp/from_scwrl_1458406512_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1458406512_b.pdb or /var/tmp/from_scwrl_1458406512_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1458406512_a.pdb or decoys//var/tmp/from_scwrl_1458406512_a.pdb.gz for input Trying /var/tmp/from_scwrl_1458406512_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1458406512_a.pdb or /var/tmp/from_scwrl_1458406512_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1458406512.pdb or /var/tmp/from_scwrl_1458406512_b.pdb or /var/tmp/from_scwrl_1458406512_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 T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1767225772.pdb -s /var/tmp/to_scwrl_1767225772.seq -o /var/tmp/from_scwrl_1767225772.pdb > /var/tmp/scwrl_1767225772.log sh: /var/tmp/scwrl_1767225772.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1767225772.pdb or /var/tmp/from_scwrl_1767225772.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767225772_b.pdb or decoys//var/tmp/from_scwrl_1767225772_b.pdb.gz for input Trying /var/tmp/from_scwrl_1767225772_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767225772_b.pdb or /var/tmp/from_scwrl_1767225772_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767225772_a.pdb or decoys//var/tmp/from_scwrl_1767225772_a.pdb.gz for input Trying /var/tmp/from_scwrl_1767225772_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767225772_a.pdb or /var/tmp/from_scwrl_1767225772_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1767225772.pdb or /var/tmp/from_scwrl_1767225772_b.pdb or /var/tmp/from_scwrl_1767225772_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 T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_62731644.pdb -s /var/tmp/to_scwrl_62731644.seq -o /var/tmp/from_scwrl_62731644.pdb > /var/tmp/scwrl_62731644.log sh: /var/tmp/scwrl_62731644.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_62731644.pdb or /var/tmp/from_scwrl_62731644.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_62731644_b.pdb or decoys//var/tmp/from_scwrl_62731644_b.pdb.gz for input Trying /var/tmp/from_scwrl_62731644_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_62731644_b.pdb or /var/tmp/from_scwrl_62731644_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_62731644_a.pdb or decoys//var/tmp/from_scwrl_62731644_a.pdb.gz for input Trying /var/tmp/from_scwrl_62731644_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_62731644_a.pdb or /var/tmp/from_scwrl_62731644_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_62731644.pdb or /var/tmp/from_scwrl_62731644_b.pdb or /var/tmp/from_scwrl_62731644_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 T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_698990144.pdb -s /var/tmp/to_scwrl_698990144.seq -o /var/tmp/from_scwrl_698990144.pdb > /var/tmp/scwrl_698990144.log sh: /var/tmp/scwrl_698990144.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_698990144.pdb or /var/tmp/from_scwrl_698990144.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_698990144_b.pdb or decoys//var/tmp/from_scwrl_698990144_b.pdb.gz for input Trying /var/tmp/from_scwrl_698990144_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_698990144_b.pdb or /var/tmp/from_scwrl_698990144_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_698990144_a.pdb or decoys//var/tmp/from_scwrl_698990144_a.pdb.gz for input Trying /var/tmp/from_scwrl_698990144_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_698990144_a.pdb or /var/tmp/from_scwrl_698990144_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_698990144.pdb or /var/tmp/from_scwrl_698990144_b.pdb or /var/tmp/from_scwrl_698990144_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 T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_83255114.pdb -s /var/tmp/to_scwrl_83255114.seq -o /var/tmp/from_scwrl_83255114.pdb > /var/tmp/scwrl_83255114.log sh: /var/tmp/scwrl_83255114.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_83255114.pdb or /var/tmp/from_scwrl_83255114.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_83255114_b.pdb or decoys//var/tmp/from_scwrl_83255114_b.pdb.gz for input Trying /var/tmp/from_scwrl_83255114_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_83255114_b.pdb or /var/tmp/from_scwrl_83255114_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_83255114_a.pdb or decoys//var/tmp/from_scwrl_83255114_a.pdb.gz for input Trying /var/tmp/from_scwrl_83255114_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_83255114_a.pdb or /var/tmp/from_scwrl_83255114_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_83255114.pdb or /var/tmp/from_scwrl_83255114_b.pdb or /var/tmp/from_scwrl_83255114_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1717950206.pdb -s /var/tmp/to_scwrl_1717950206.seq -o /var/tmp/from_scwrl_1717950206.pdb > /var/tmp/scwrl_1717950206.log sh: /var/tmp/scwrl_1717950206.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1717950206.pdb or /var/tmp/from_scwrl_1717950206.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1717950206_b.pdb or decoys//var/tmp/from_scwrl_1717950206_b.pdb.gz for input Trying /var/tmp/from_scwrl_1717950206_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1717950206_b.pdb or /var/tmp/from_scwrl_1717950206_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1717950206_a.pdb or decoys//var/tmp/from_scwrl_1717950206_a.pdb.gz for input Trying /var/tmp/from_scwrl_1717950206_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1717950206_a.pdb or /var/tmp/from_scwrl_1717950206_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1717950206.pdb or /var/tmp/from_scwrl_1717950206_b.pdb or /var/tmp/from_scwrl_1717950206_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 79 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1235381012.pdb -s /var/tmp/to_scwrl_1235381012.seq -o /var/tmp/from_scwrl_1235381012.pdb > /var/tmp/scwrl_1235381012.log sh: /var/tmp/scwrl_1235381012.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1235381012.pdb or /var/tmp/from_scwrl_1235381012.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1235381012_b.pdb or decoys//var/tmp/from_scwrl_1235381012_b.pdb.gz for input Trying /var/tmp/from_scwrl_1235381012_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1235381012_b.pdb or /var/tmp/from_scwrl_1235381012_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1235381012_a.pdb or decoys//var/tmp/from_scwrl_1235381012_a.pdb.gz for input Trying /var/tmp/from_scwrl_1235381012_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1235381012_a.pdb or /var/tmp/from_scwrl_1235381012_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1235381012.pdb or /var/tmp/from_scwrl_1235381012_b.pdb or /var/tmp/from_scwrl_1235381012_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_798788150.pdb -s /var/tmp/to_scwrl_798788150.seq -o /var/tmp/from_scwrl_798788150.pdb > /var/tmp/scwrl_798788150.log sh: /var/tmp/scwrl_798788150.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_798788150.pdb or /var/tmp/from_scwrl_798788150.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_798788150_b.pdb or decoys//var/tmp/from_scwrl_798788150_b.pdb.gz for input Trying /var/tmp/from_scwrl_798788150_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_798788150_b.pdb or /var/tmp/from_scwrl_798788150_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_798788150_a.pdb or decoys//var/tmp/from_scwrl_798788150_a.pdb.gz for input Trying /var/tmp/from_scwrl_798788150_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_798788150_a.pdb or /var/tmp/from_scwrl_798788150_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_798788150.pdb or /var/tmp/from_scwrl_798788150_b.pdb or /var/tmp/from_scwrl_798788150_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 T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_800818243.pdb -s /var/tmp/to_scwrl_800818243.seq -o /var/tmp/from_scwrl_800818243.pdb > /var/tmp/scwrl_800818243.log sh: /var/tmp/scwrl_800818243.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_800818243.pdb or /var/tmp/from_scwrl_800818243.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_800818243_b.pdb or decoys//var/tmp/from_scwrl_800818243_b.pdb.gz for input Trying /var/tmp/from_scwrl_800818243_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_800818243_b.pdb or /var/tmp/from_scwrl_800818243_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_800818243_a.pdb or decoys//var/tmp/from_scwrl_800818243_a.pdb.gz for input Trying /var/tmp/from_scwrl_800818243_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_800818243_a.pdb or /var/tmp/from_scwrl_800818243_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_800818243.pdb or /var/tmp/from_scwrl_800818243_b.pdb or /var/tmp/from_scwrl_800818243_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 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_708246519.pdb -s /var/tmp/to_scwrl_708246519.seq -o /var/tmp/from_scwrl_708246519.pdb > /var/tmp/scwrl_708246519.log sh: /var/tmp/scwrl_708246519.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_708246519.pdb or /var/tmp/from_scwrl_708246519.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_708246519_b.pdb or decoys//var/tmp/from_scwrl_708246519_b.pdb.gz for input Trying /var/tmp/from_scwrl_708246519_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_708246519_b.pdb or /var/tmp/from_scwrl_708246519_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_708246519_a.pdb or decoys//var/tmp/from_scwrl_708246519_a.pdb.gz for input Trying /var/tmp/from_scwrl_708246519_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_708246519_a.pdb or /var/tmp/from_scwrl_708246519_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_708246519.pdb or /var/tmp/from_scwrl_708246519_b.pdb or /var/tmp/from_scwrl_708246519_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 58 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_874759914.pdb -s /var/tmp/to_scwrl_874759914.seq -o /var/tmp/from_scwrl_874759914.pdb > /var/tmp/scwrl_874759914.log sh: /var/tmp/scwrl_874759914.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_874759914.pdb or /var/tmp/from_scwrl_874759914.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_874759914_b.pdb or decoys//var/tmp/from_scwrl_874759914_b.pdb.gz for input Trying /var/tmp/from_scwrl_874759914_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_874759914_b.pdb or /var/tmp/from_scwrl_874759914_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_874759914_a.pdb or decoys//var/tmp/from_scwrl_874759914_a.pdb.gz for input Trying /var/tmp/from_scwrl_874759914_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_874759914_a.pdb or /var/tmp/from_scwrl_874759914_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_874759914.pdb or /var/tmp/from_scwrl_874759914_b.pdb or /var/tmp/from_scwrl_874759914_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 61 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_910630317.pdb -s /var/tmp/to_scwrl_910630317.seq -o /var/tmp/from_scwrl_910630317.pdb > /var/tmp/scwrl_910630317.log sh: /var/tmp/scwrl_910630317.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_910630317.pdb or /var/tmp/from_scwrl_910630317.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_910630317_b.pdb or decoys//var/tmp/from_scwrl_910630317_b.pdb.gz for input Trying /var/tmp/from_scwrl_910630317_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_910630317_b.pdb or /var/tmp/from_scwrl_910630317_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_910630317_a.pdb or decoys//var/tmp/from_scwrl_910630317_a.pdb.gz for input Trying /var/tmp/from_scwrl_910630317_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_910630317_a.pdb or /var/tmp/from_scwrl_910630317_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_910630317.pdb or /var/tmp/from_scwrl_910630317_b.pdb or /var/tmp/from_scwrl_910630317_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_551257865.pdb -s /var/tmp/to_scwrl_551257865.seq -o /var/tmp/from_scwrl_551257865.pdb > /var/tmp/scwrl_551257865.log sh: /var/tmp/scwrl_551257865.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_551257865.pdb or /var/tmp/from_scwrl_551257865.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_551257865_b.pdb or decoys//var/tmp/from_scwrl_551257865_b.pdb.gz for input Trying /var/tmp/from_scwrl_551257865_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_551257865_b.pdb or /var/tmp/from_scwrl_551257865_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_551257865_a.pdb or decoys//var/tmp/from_scwrl_551257865_a.pdb.gz for input Trying /var/tmp/from_scwrl_551257865_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_551257865_a.pdb or /var/tmp/from_scwrl_551257865_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_551257865.pdb or /var/tmp/from_scwrl_551257865_b.pdb or /var/tmp/from_scwrl_551257865_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 62 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1938801717.pdb -s /var/tmp/to_scwrl_1938801717.seq -o /var/tmp/from_scwrl_1938801717.pdb > /var/tmp/scwrl_1938801717.log sh: /var/tmp/scwrl_1938801717.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1938801717.pdb or /var/tmp/from_scwrl_1938801717.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1938801717_b.pdb or decoys//var/tmp/from_scwrl_1938801717_b.pdb.gz for input Trying /var/tmp/from_scwrl_1938801717_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1938801717_b.pdb or /var/tmp/from_scwrl_1938801717_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1938801717_a.pdb or decoys//var/tmp/from_scwrl_1938801717_a.pdb.gz for input Trying /var/tmp/from_scwrl_1938801717_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1938801717_a.pdb or /var/tmp/from_scwrl_1938801717_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1938801717.pdb or /var/tmp/from_scwrl_1938801717_b.pdb or /var/tmp/from_scwrl_1938801717_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 54 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1556310929.pdb -s /var/tmp/to_scwrl_1556310929.seq -o /var/tmp/from_scwrl_1556310929.pdb > /var/tmp/scwrl_1556310929.log sh: /var/tmp/scwrl_1556310929.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1556310929.pdb or /var/tmp/from_scwrl_1556310929.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1556310929_b.pdb or decoys//var/tmp/from_scwrl_1556310929_b.pdb.gz for input Trying /var/tmp/from_scwrl_1556310929_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1556310929_b.pdb or /var/tmp/from_scwrl_1556310929_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1556310929_a.pdb or decoys//var/tmp/from_scwrl_1556310929_a.pdb.gz for input Trying /var/tmp/from_scwrl_1556310929_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1556310929_a.pdb or /var/tmp/from_scwrl_1556310929_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1556310929.pdb or /var/tmp/from_scwrl_1556310929_b.pdb or /var/tmp/from_scwrl_1556310929_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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1402222584.pdb -s /var/tmp/to_scwrl_1402222584.seq -o /var/tmp/from_scwrl_1402222584.pdb > /var/tmp/scwrl_1402222584.log sh: /var/tmp/scwrl_1402222584.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1402222584.pdb or /var/tmp/from_scwrl_1402222584.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1402222584_b.pdb or decoys//var/tmp/from_scwrl_1402222584_b.pdb.gz for input Trying /var/tmp/from_scwrl_1402222584_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1402222584_b.pdb or /var/tmp/from_scwrl_1402222584_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1402222584_a.pdb or decoys//var/tmp/from_scwrl_1402222584_a.pdb.gz for input Trying /var/tmp/from_scwrl_1402222584_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1402222584_a.pdb or /var/tmp/from_scwrl_1402222584_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1402222584.pdb or /var/tmp/from_scwrl_1402222584_b.pdb or /var/tmp/from_scwrl_1402222584_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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1076308514.pdb -s /var/tmp/to_scwrl_1076308514.seq -o /var/tmp/from_scwrl_1076308514.pdb > /var/tmp/scwrl_1076308514.log sh: /var/tmp/scwrl_1076308514.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1076308514.pdb or /var/tmp/from_scwrl_1076308514.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1076308514_b.pdb or decoys//var/tmp/from_scwrl_1076308514_b.pdb.gz for input Trying /var/tmp/from_scwrl_1076308514_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1076308514_b.pdb or /var/tmp/from_scwrl_1076308514_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1076308514_a.pdb or decoys//var/tmp/from_scwrl_1076308514_a.pdb.gz for input Trying /var/tmp/from_scwrl_1076308514_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1076308514_a.pdb or /var/tmp/from_scwrl_1076308514_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1076308514.pdb or /var/tmp/from_scwrl_1076308514_b.pdb or /var/tmp/from_scwrl_1076308514_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 Skipped atom 265, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_574618360.pdb -s /var/tmp/to_scwrl_574618360.seq -o /var/tmp/from_scwrl_574618360.pdb > /var/tmp/scwrl_574618360.log sh: /var/tmp/scwrl_574618360.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_574618360.pdb or /var/tmp/from_scwrl_574618360.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_574618360_b.pdb or decoys//var/tmp/from_scwrl_574618360_b.pdb.gz for input Trying /var/tmp/from_scwrl_574618360_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_574618360_b.pdb or /var/tmp/from_scwrl_574618360_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_574618360_a.pdb or decoys//var/tmp/from_scwrl_574618360_a.pdb.gz for input Trying /var/tmp/from_scwrl_574618360_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_574618360_a.pdb or /var/tmp/from_scwrl_574618360_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_574618360.pdb or /var/tmp/from_scwrl_574618360_b.pdb or /var/tmp/from_scwrl_574618360_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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_813441757.pdb -s /var/tmp/to_scwrl_813441757.seq -o /var/tmp/from_scwrl_813441757.pdb > /var/tmp/scwrl_813441757.log sh: /var/tmp/scwrl_813441757.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_813441757.pdb or /var/tmp/from_scwrl_813441757.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_813441757_b.pdb or decoys//var/tmp/from_scwrl_813441757_b.pdb.gz for input Trying /var/tmp/from_scwrl_813441757_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_813441757_b.pdb or /var/tmp/from_scwrl_813441757_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_813441757_a.pdb or decoys//var/tmp/from_scwrl_813441757_a.pdb.gz for input Trying /var/tmp/from_scwrl_813441757_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_813441757_a.pdb or /var/tmp/from_scwrl_813441757_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_813441757.pdb or /var/tmp/from_scwrl_813441757_b.pdb or /var/tmp/from_scwrl_813441757_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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1857550897.pdb -s /var/tmp/to_scwrl_1857550897.seq -o /var/tmp/from_scwrl_1857550897.pdb > /var/tmp/scwrl_1857550897.log sh: /var/tmp/scwrl_1857550897.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1857550897.pdb or /var/tmp/from_scwrl_1857550897.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1857550897_b.pdb or decoys//var/tmp/from_scwrl_1857550897_b.pdb.gz for input Trying /var/tmp/from_scwrl_1857550897_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1857550897_b.pdb or /var/tmp/from_scwrl_1857550897_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1857550897_a.pdb or decoys//var/tmp/from_scwrl_1857550897_a.pdb.gz for input Trying /var/tmp/from_scwrl_1857550897_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1857550897_a.pdb or /var/tmp/from_scwrl_1857550897_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1857550897.pdb or /var/tmp/from_scwrl_1857550897_b.pdb or /var/tmp/from_scwrl_1857550897_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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1126441122.pdb -s /var/tmp/to_scwrl_1126441122.seq -o /var/tmp/from_scwrl_1126441122.pdb > /var/tmp/scwrl_1126441122.log sh: /var/tmp/scwrl_1126441122.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1126441122.pdb or /var/tmp/from_scwrl_1126441122.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1126441122_b.pdb or decoys//var/tmp/from_scwrl_1126441122_b.pdb.gz for input Trying /var/tmp/from_scwrl_1126441122_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1126441122_b.pdb or /var/tmp/from_scwrl_1126441122_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1126441122_a.pdb or decoys//var/tmp/from_scwrl_1126441122_a.pdb.gz for input Trying /var/tmp/from_scwrl_1126441122_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1126441122_a.pdb or /var/tmp/from_scwrl_1126441122_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1126441122.pdb or /var/tmp/from_scwrl_1126441122_b.pdb or /var/tmp/from_scwrl_1126441122_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 Skipped atom 265, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_189366735.pdb -s /var/tmp/to_scwrl_189366735.seq -o /var/tmp/from_scwrl_189366735.pdb > /var/tmp/scwrl_189366735.log sh: /var/tmp/scwrl_189366735.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_189366735.pdb or /var/tmp/from_scwrl_189366735.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_189366735_b.pdb or decoys//var/tmp/from_scwrl_189366735_b.pdb.gz for input Trying /var/tmp/from_scwrl_189366735_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_189366735_b.pdb or /var/tmp/from_scwrl_189366735_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_189366735_a.pdb or decoys//var/tmp/from_scwrl_189366735_a.pdb.gz for input Trying /var/tmp/from_scwrl_189366735_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_189366735_a.pdb or /var/tmp/from_scwrl_189366735_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_189366735.pdb or /var/tmp/from_scwrl_189366735_b.pdb or /var/tmp/from_scwrl_189366735_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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_849424215.pdb -s /var/tmp/to_scwrl_849424215.seq -o /var/tmp/from_scwrl_849424215.pdb > /var/tmp/scwrl_849424215.log sh: /var/tmp/scwrl_849424215.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_849424215.pdb or /var/tmp/from_scwrl_849424215.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_849424215_b.pdb or decoys//var/tmp/from_scwrl_849424215_b.pdb.gz for input Trying /var/tmp/from_scwrl_849424215_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_849424215_b.pdb or /var/tmp/from_scwrl_849424215_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_849424215_a.pdb or decoys//var/tmp/from_scwrl_849424215_a.pdb.gz for input Trying /var/tmp/from_scwrl_849424215_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_849424215_a.pdb or /var/tmp/from_scwrl_849424215_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_849424215.pdb or /var/tmp/from_scwrl_849424215_b.pdb or /var/tmp/from_scwrl_849424215_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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_42353686.pdb -s /var/tmp/to_scwrl_42353686.seq -o /var/tmp/from_scwrl_42353686.pdb > /var/tmp/scwrl_42353686.log sh: /var/tmp/scwrl_42353686.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_42353686.pdb or /var/tmp/from_scwrl_42353686.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_42353686_b.pdb or decoys//var/tmp/from_scwrl_42353686_b.pdb.gz for input Trying /var/tmp/from_scwrl_42353686_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_42353686_b.pdb or /var/tmp/from_scwrl_42353686_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_42353686_a.pdb or decoys//var/tmp/from_scwrl_42353686_a.pdb.gz for input Trying /var/tmp/from_scwrl_42353686_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_42353686_a.pdb or /var/tmp/from_scwrl_42353686_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_42353686.pdb or /var/tmp/from_scwrl_42353686_b.pdb or /var/tmp/from_scwrl_42353686_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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1512939711.pdb -s /var/tmp/to_scwrl_1512939711.seq -o /var/tmp/from_scwrl_1512939711.pdb > /var/tmp/scwrl_1512939711.log sh: /var/tmp/scwrl_1512939711.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1512939711.pdb or /var/tmp/from_scwrl_1512939711.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1512939711_b.pdb or decoys//var/tmp/from_scwrl_1512939711_b.pdb.gz for input Trying /var/tmp/from_scwrl_1512939711_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1512939711_b.pdb or /var/tmp/from_scwrl_1512939711_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1512939711_a.pdb or decoys//var/tmp/from_scwrl_1512939711_a.pdb.gz for input Trying /var/tmp/from_scwrl_1512939711_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1512939711_a.pdb or /var/tmp/from_scwrl_1512939711_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1512939711.pdb or /var/tmp/from_scwrl_1512939711_b.pdb or /var/tmp/from_scwrl_1512939711_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 98 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1989847861.pdb -s /var/tmp/to_scwrl_1989847861.seq -o /var/tmp/from_scwrl_1989847861.pdb > /var/tmp/scwrl_1989847861.log sh: /var/tmp/scwrl_1989847861.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1989847861.pdb or /var/tmp/from_scwrl_1989847861.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989847861_b.pdb or decoys//var/tmp/from_scwrl_1989847861_b.pdb.gz for input Trying /var/tmp/from_scwrl_1989847861_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989847861_b.pdb or /var/tmp/from_scwrl_1989847861_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989847861_a.pdb or decoys//var/tmp/from_scwrl_1989847861_a.pdb.gz for input Trying /var/tmp/from_scwrl_1989847861_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989847861_a.pdb or /var/tmp/from_scwrl_1989847861_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1989847861.pdb or /var/tmp/from_scwrl_1989847861_b.pdb or /var/tmp/from_scwrl_1989847861_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 86 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_494299611.pdb -s /var/tmp/to_scwrl_494299611.seq -o /var/tmp/from_scwrl_494299611.pdb > /var/tmp/scwrl_494299611.log sh: /var/tmp/scwrl_494299611.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_494299611.pdb or /var/tmp/from_scwrl_494299611.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_494299611_b.pdb or decoys//var/tmp/from_scwrl_494299611_b.pdb.gz for input Trying /var/tmp/from_scwrl_494299611_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_494299611_b.pdb or /var/tmp/from_scwrl_494299611_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_494299611_a.pdb or decoys//var/tmp/from_scwrl_494299611_a.pdb.gz for input Trying /var/tmp/from_scwrl_494299611_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_494299611_a.pdb or /var/tmp/from_scwrl_494299611_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_494299611.pdb or /var/tmp/from_scwrl_494299611_b.pdb or /var/tmp/from_scwrl_494299611_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 101 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2058923169.pdb -s /var/tmp/to_scwrl_2058923169.seq -o /var/tmp/from_scwrl_2058923169.pdb > /var/tmp/scwrl_2058923169.log sh: /var/tmp/scwrl_2058923169.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2058923169.pdb or /var/tmp/from_scwrl_2058923169.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2058923169_b.pdb or decoys//var/tmp/from_scwrl_2058923169_b.pdb.gz for input Trying /var/tmp/from_scwrl_2058923169_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2058923169_b.pdb or /var/tmp/from_scwrl_2058923169_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2058923169_a.pdb or decoys//var/tmp/from_scwrl_2058923169_a.pdb.gz for input Trying /var/tmp/from_scwrl_2058923169_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2058923169_a.pdb or /var/tmp/from_scwrl_2058923169_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2058923169.pdb or /var/tmp/from_scwrl_2058923169_b.pdb or /var/tmp/from_scwrl_2058923169_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 # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_986305685.pdb -s /var/tmp/to_scwrl_986305685.seq -o /var/tmp/from_scwrl_986305685.pdb > /var/tmp/scwrl_986305685.log sh: /var/tmp/scwrl_986305685.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_986305685.pdb or /var/tmp/from_scwrl_986305685.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_986305685_b.pdb or decoys//var/tmp/from_scwrl_986305685_b.pdb.gz for input Trying /var/tmp/from_scwrl_986305685_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_986305685_b.pdb or /var/tmp/from_scwrl_986305685_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_986305685_a.pdb or decoys//var/tmp/from_scwrl_986305685_a.pdb.gz for input Trying /var/tmp/from_scwrl_986305685_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_986305685_a.pdb or /var/tmp/from_scwrl_986305685_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_986305685.pdb or /var/tmp/from_scwrl_986305685_b.pdb or /var/tmp/from_scwrl_986305685_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 48 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1647006935.pdb -s /var/tmp/to_scwrl_1647006935.seq -o /var/tmp/from_scwrl_1647006935.pdb > /var/tmp/scwrl_1647006935.log sh: /var/tmp/scwrl_1647006935.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1647006935.pdb or /var/tmp/from_scwrl_1647006935.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1647006935_b.pdb or decoys//var/tmp/from_scwrl_1647006935_b.pdb.gz for input Trying /var/tmp/from_scwrl_1647006935_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1647006935_b.pdb or /var/tmp/from_scwrl_1647006935_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1647006935_a.pdb or decoys//var/tmp/from_scwrl_1647006935_a.pdb.gz for input Trying /var/tmp/from_scwrl_1647006935_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1647006935_a.pdb or /var/tmp/from_scwrl_1647006935_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1647006935.pdb or /var/tmp/from_scwrl_1647006935_b.pdb or /var/tmp/from_scwrl_1647006935_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 # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1765180099.pdb -s /var/tmp/to_scwrl_1765180099.seq -o /var/tmp/from_scwrl_1765180099.pdb > /var/tmp/scwrl_1765180099.log sh: /var/tmp/scwrl_1765180099.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1765180099.pdb or /var/tmp/from_scwrl_1765180099.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1765180099_b.pdb or decoys//var/tmp/from_scwrl_1765180099_b.pdb.gz for input Trying /var/tmp/from_scwrl_1765180099_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1765180099_b.pdb or /var/tmp/from_scwrl_1765180099_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1765180099_a.pdb or decoys//var/tmp/from_scwrl_1765180099_a.pdb.gz for input Trying /var/tmp/from_scwrl_1765180099_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1765180099_a.pdb or /var/tmp/from_scwrl_1765180099_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1765180099.pdb or /var/tmp/from_scwrl_1765180099_b.pdb or /var/tmp/from_scwrl_1765180099_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 # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_297228551.pdb -s /var/tmp/to_scwrl_297228551.seq -o /var/tmp/from_scwrl_297228551.pdb > /var/tmp/scwrl_297228551.log sh: /var/tmp/scwrl_297228551.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_297228551.pdb or /var/tmp/from_scwrl_297228551.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_297228551_b.pdb or decoys//var/tmp/from_scwrl_297228551_b.pdb.gz for input Trying /var/tmp/from_scwrl_297228551_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_297228551_b.pdb or /var/tmp/from_scwrl_297228551_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_297228551_a.pdb or decoys//var/tmp/from_scwrl_297228551_a.pdb.gz for input Trying /var/tmp/from_scwrl_297228551_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_297228551_a.pdb or /var/tmp/from_scwrl_297228551_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_297228551.pdb or /var/tmp/from_scwrl_297228551_b.pdb or /var/tmp/from_scwrl_297228551_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 T0327 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1266749061.pdb -s /var/tmp/to_scwrl_1266749061.seq -o /var/tmp/from_scwrl_1266749061.pdb > /var/tmp/scwrl_1266749061.log sh: /var/tmp/scwrl_1266749061.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1266749061.pdb or /var/tmp/from_scwrl_1266749061.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1266749061_b.pdb or decoys//var/tmp/from_scwrl_1266749061_b.pdb.gz for input Trying /var/tmp/from_scwrl_1266749061_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1266749061_b.pdb or /var/tmp/from_scwrl_1266749061_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1266749061_a.pdb or decoys//var/tmp/from_scwrl_1266749061_a.pdb.gz for input Trying /var/tmp/from_scwrl_1266749061_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1266749061_a.pdb or /var/tmp/from_scwrl_1266749061_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1266749061.pdb or /var/tmp/from_scwrl_1266749061_b.pdb or /var/tmp/from_scwrl_1266749061_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 27 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1827911743.pdb -s /var/tmp/to_scwrl_1827911743.seq -o /var/tmp/from_scwrl_1827911743.pdb > /var/tmp/scwrl_1827911743.log sh: /var/tmp/scwrl_1827911743.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1827911743.pdb or /var/tmp/from_scwrl_1827911743.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1827911743_b.pdb or decoys//var/tmp/from_scwrl_1827911743_b.pdb.gz for input Trying /var/tmp/from_scwrl_1827911743_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1827911743_b.pdb or /var/tmp/from_scwrl_1827911743_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1827911743_a.pdb or decoys//var/tmp/from_scwrl_1827911743_a.pdb.gz for input Trying /var/tmp/from_scwrl_1827911743_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1827911743_a.pdb or /var/tmp/from_scwrl_1827911743_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1827911743.pdb or /var/tmp/from_scwrl_1827911743_b.pdb or /var/tmp/from_scwrl_1827911743_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 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_996218695.pdb -s /var/tmp/to_scwrl_996218695.seq -o /var/tmp/from_scwrl_996218695.pdb > /var/tmp/scwrl_996218695.log sh: /var/tmp/scwrl_996218695.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_996218695.pdb or /var/tmp/from_scwrl_996218695.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_996218695_b.pdb or decoys//var/tmp/from_scwrl_996218695_b.pdb.gz for input Trying /var/tmp/from_scwrl_996218695_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_996218695_b.pdb or /var/tmp/from_scwrl_996218695_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_996218695_a.pdb or decoys//var/tmp/from_scwrl_996218695_a.pdb.gz for input Trying /var/tmp/from_scwrl_996218695_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_996218695_a.pdb or /var/tmp/from_scwrl_996218695_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_996218695.pdb or /var/tmp/from_scwrl_996218695_b.pdb or /var/tmp/from_scwrl_996218695_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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1350004175.pdb -s /var/tmp/to_scwrl_1350004175.seq -o /var/tmp/from_scwrl_1350004175.pdb > /var/tmp/scwrl_1350004175.log sh: /var/tmp/scwrl_1350004175.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1350004175.pdb or /var/tmp/from_scwrl_1350004175.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350004175_b.pdb or decoys//var/tmp/from_scwrl_1350004175_b.pdb.gz for input Trying /var/tmp/from_scwrl_1350004175_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350004175_b.pdb or /var/tmp/from_scwrl_1350004175_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350004175_a.pdb or decoys//var/tmp/from_scwrl_1350004175_a.pdb.gz for input Trying /var/tmp/from_scwrl_1350004175_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350004175_a.pdb or /var/tmp/from_scwrl_1350004175_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1350004175.pdb or /var/tmp/from_scwrl_1350004175_b.pdb or /var/tmp/from_scwrl_1350004175_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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1398378303.pdb -s /var/tmp/to_scwrl_1398378303.seq -o /var/tmp/from_scwrl_1398378303.pdb > /var/tmp/scwrl_1398378303.log sh: /var/tmp/scwrl_1398378303.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1398378303.pdb or /var/tmp/from_scwrl_1398378303.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1398378303_b.pdb or decoys//var/tmp/from_scwrl_1398378303_b.pdb.gz for input Trying /var/tmp/from_scwrl_1398378303_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1398378303_b.pdb or /var/tmp/from_scwrl_1398378303_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1398378303_a.pdb or decoys//var/tmp/from_scwrl_1398378303_a.pdb.gz for input Trying /var/tmp/from_scwrl_1398378303_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1398378303_a.pdb or /var/tmp/from_scwrl_1398378303_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1398378303.pdb or /var/tmp/from_scwrl_1398378303_b.pdb or /var/tmp/from_scwrl_1398378303_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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_84116060.pdb -s /var/tmp/to_scwrl_84116060.seq -o /var/tmp/from_scwrl_84116060.pdb > /var/tmp/scwrl_84116060.log sh: /var/tmp/scwrl_84116060.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_84116060.pdb or /var/tmp/from_scwrl_84116060.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_84116060_b.pdb or decoys//var/tmp/from_scwrl_84116060_b.pdb.gz for input Trying /var/tmp/from_scwrl_84116060_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_84116060_b.pdb or /var/tmp/from_scwrl_84116060_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_84116060_a.pdb or decoys//var/tmp/from_scwrl_84116060_a.pdb.gz for input Trying /var/tmp/from_scwrl_84116060_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_84116060_a.pdb or /var/tmp/from_scwrl_84116060_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_84116060.pdb or /var/tmp/from_scwrl_84116060_b.pdb or /var/tmp/from_scwrl_84116060_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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1308679.pdb -s /var/tmp/to_scwrl_1308679.seq -o /var/tmp/from_scwrl_1308679.pdb > /var/tmp/scwrl_1308679.log sh: /var/tmp/scwrl_1308679.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1308679.pdb or /var/tmp/from_scwrl_1308679.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1308679_b.pdb or decoys//var/tmp/from_scwrl_1308679_b.pdb.gz for input Trying /var/tmp/from_scwrl_1308679_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1308679_b.pdb or /var/tmp/from_scwrl_1308679_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1308679_a.pdb or decoys//var/tmp/from_scwrl_1308679_a.pdb.gz for input Trying /var/tmp/from_scwrl_1308679_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1308679_a.pdb or /var/tmp/from_scwrl_1308679_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1308679.pdb or /var/tmp/from_scwrl_1308679_b.pdb or /var/tmp/from_scwrl_1308679_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 Skipped atom 323, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 325, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 327, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 329, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 331, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_51712899.pdb -s /var/tmp/to_scwrl_51712899.seq -o /var/tmp/from_scwrl_51712899.pdb > /var/tmp/scwrl_51712899.log sh: /var/tmp/scwrl_51712899.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_51712899.pdb or /var/tmp/from_scwrl_51712899.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_51712899_b.pdb or decoys//var/tmp/from_scwrl_51712899_b.pdb.gz for input Trying /var/tmp/from_scwrl_51712899_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_51712899_b.pdb or /var/tmp/from_scwrl_51712899_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_51712899_a.pdb or decoys//var/tmp/from_scwrl_51712899_a.pdb.gz for input Trying /var/tmp/from_scwrl_51712899_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_51712899_a.pdb or /var/tmp/from_scwrl_51712899_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_51712899.pdb or /var/tmp/from_scwrl_51712899_b.pdb or /var/tmp/from_scwrl_51712899_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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_792362580.pdb -s /var/tmp/to_scwrl_792362580.seq -o /var/tmp/from_scwrl_792362580.pdb > /var/tmp/scwrl_792362580.log sh: /var/tmp/scwrl_792362580.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_792362580.pdb or /var/tmp/from_scwrl_792362580.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792362580_b.pdb or decoys//var/tmp/from_scwrl_792362580_b.pdb.gz for input Trying /var/tmp/from_scwrl_792362580_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_792362580_b.pdb or /var/tmp/from_scwrl_792362580_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792362580_a.pdb or decoys//var/tmp/from_scwrl_792362580_a.pdb.gz for input Trying /var/tmp/from_scwrl_792362580_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_792362580_a.pdb or /var/tmp/from_scwrl_792362580_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_792362580.pdb or /var/tmp/from_scwrl_792362580_b.pdb or /var/tmp/from_scwrl_792362580_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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_876068593.pdb -s /var/tmp/to_scwrl_876068593.seq -o /var/tmp/from_scwrl_876068593.pdb > /var/tmp/scwrl_876068593.log sh: /var/tmp/scwrl_876068593.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_876068593.pdb or /var/tmp/from_scwrl_876068593.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_876068593_b.pdb or decoys//var/tmp/from_scwrl_876068593_b.pdb.gz for input Trying /var/tmp/from_scwrl_876068593_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_876068593_b.pdb or /var/tmp/from_scwrl_876068593_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_876068593_a.pdb or decoys//var/tmp/from_scwrl_876068593_a.pdb.gz for input Trying /var/tmp/from_scwrl_876068593_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_876068593_a.pdb or /var/tmp/from_scwrl_876068593_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_876068593.pdb or /var/tmp/from_scwrl_876068593_b.pdb or /var/tmp/from_scwrl_876068593_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 97 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_962343216.pdb -s /var/tmp/to_scwrl_962343216.seq -o /var/tmp/from_scwrl_962343216.pdb > /var/tmp/scwrl_962343216.log sh: /var/tmp/scwrl_962343216.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_962343216.pdb or /var/tmp/from_scwrl_962343216.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_962343216_b.pdb or decoys//var/tmp/from_scwrl_962343216_b.pdb.gz for input Trying /var/tmp/from_scwrl_962343216_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_962343216_b.pdb or /var/tmp/from_scwrl_962343216_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_962343216_a.pdb or decoys//var/tmp/from_scwrl_962343216_a.pdb.gz for input Trying /var/tmp/from_scwrl_962343216_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_962343216_a.pdb or /var/tmp/from_scwrl_962343216_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_962343216.pdb or /var/tmp/from_scwrl_962343216_b.pdb or /var/tmp/from_scwrl_962343216_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 81 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1343620444.pdb -s /var/tmp/to_scwrl_1343620444.seq -o /var/tmp/from_scwrl_1343620444.pdb > /var/tmp/scwrl_1343620444.log sh: /var/tmp/scwrl_1343620444.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1343620444.pdb or /var/tmp/from_scwrl_1343620444.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1343620444_b.pdb or decoys//var/tmp/from_scwrl_1343620444_b.pdb.gz for input Trying /var/tmp/from_scwrl_1343620444_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1343620444_b.pdb or /var/tmp/from_scwrl_1343620444_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1343620444_a.pdb or decoys//var/tmp/from_scwrl_1343620444_a.pdb.gz for input Trying /var/tmp/from_scwrl_1343620444_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1343620444_a.pdb or /var/tmp/from_scwrl_1343620444_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1343620444.pdb or /var/tmp/from_scwrl_1343620444_b.pdb or /var/tmp/from_scwrl_1343620444_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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_667386663.pdb -s /var/tmp/to_scwrl_667386663.seq -o /var/tmp/from_scwrl_667386663.pdb > /var/tmp/scwrl_667386663.log sh: /var/tmp/scwrl_667386663.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_667386663.pdb or /var/tmp/from_scwrl_667386663.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_667386663_b.pdb or decoys//var/tmp/from_scwrl_667386663_b.pdb.gz for input Trying /var/tmp/from_scwrl_667386663_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_667386663_b.pdb or /var/tmp/from_scwrl_667386663_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_667386663_a.pdb or decoys//var/tmp/from_scwrl_667386663_a.pdb.gz for input Trying /var/tmp/from_scwrl_667386663_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_667386663_a.pdb or /var/tmp/from_scwrl_667386663_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_667386663.pdb or /var/tmp/from_scwrl_667386663_b.pdb or /var/tmp/from_scwrl_667386663_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 92 ; scwrl3 -i /var/tmp/to_scwrl_371170498.pdb -s /var/tmp/to_scwrl_371170498.seq -o /var/tmp/from_scwrl_371170498.pdb > /var/tmp/scwrl_371170498.log sh: /var/tmp/scwrl_371170498.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_371170498.pdb or /var/tmp/from_scwrl_371170498.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_371170498_b.pdb or decoys//var/tmp/from_scwrl_371170498_b.pdb.gz for input Trying /var/tmp/from_scwrl_371170498_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_371170498_b.pdb or /var/tmp/from_scwrl_371170498_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_371170498_a.pdb or decoys//var/tmp/from_scwrl_371170498_a.pdb.gz for input Trying /var/tmp/from_scwrl_371170498_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_371170498_a.pdb or /var/tmp/from_scwrl_371170498_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_371170498.pdb or /var/tmp/from_scwrl_371170498_b.pdb or /var/tmp/from_scwrl_371170498_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_598359383.pdb -s /var/tmp/to_scwrl_598359383.seq -o /var/tmp/from_scwrl_598359383.pdb > /var/tmp/scwrl_598359383.log sh: /var/tmp/scwrl_598359383.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_598359383.pdb or /var/tmp/from_scwrl_598359383.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_598359383_b.pdb or decoys//var/tmp/from_scwrl_598359383_b.pdb.gz for input Trying /var/tmp/from_scwrl_598359383_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_598359383_b.pdb or /var/tmp/from_scwrl_598359383_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_598359383_a.pdb or decoys//var/tmp/from_scwrl_598359383_a.pdb.gz for input Trying /var/tmp/from_scwrl_598359383_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_598359383_a.pdb or /var/tmp/from_scwrl_598359383_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_598359383.pdb or /var/tmp/from_scwrl_598359383_b.pdb or /var/tmp/from_scwrl_598359383_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 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1743695178.pdb -s /var/tmp/to_scwrl_1743695178.seq -o /var/tmp/from_scwrl_1743695178.pdb > /var/tmp/scwrl_1743695178.log sh: /var/tmp/scwrl_1743695178.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1743695178.pdb or /var/tmp/from_scwrl_1743695178.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1743695178_b.pdb or decoys//var/tmp/from_scwrl_1743695178_b.pdb.gz for input Trying /var/tmp/from_scwrl_1743695178_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1743695178_b.pdb or /var/tmp/from_scwrl_1743695178_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1743695178_a.pdb or decoys//var/tmp/from_scwrl_1743695178_a.pdb.gz for input Trying /var/tmp/from_scwrl_1743695178_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1743695178_a.pdb or /var/tmp/from_scwrl_1743695178_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1743695178.pdb or /var/tmp/from_scwrl_1743695178_b.pdb or /var/tmp/from_scwrl_1743695178_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 46 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_945788859.pdb -s /var/tmp/to_scwrl_945788859.seq -o /var/tmp/from_scwrl_945788859.pdb > /var/tmp/scwrl_945788859.log sh: /var/tmp/scwrl_945788859.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_945788859.pdb or /var/tmp/from_scwrl_945788859.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945788859_b.pdb or decoys//var/tmp/from_scwrl_945788859_b.pdb.gz for input Trying /var/tmp/from_scwrl_945788859_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_945788859_b.pdb or /var/tmp/from_scwrl_945788859_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945788859_a.pdb or decoys//var/tmp/from_scwrl_945788859_a.pdb.gz for input Trying /var/tmp/from_scwrl_945788859_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_945788859_a.pdb or /var/tmp/from_scwrl_945788859_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_945788859.pdb or /var/tmp/from_scwrl_945788859_b.pdb or /var/tmp/from_scwrl_945788859_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1411801139.pdb -s /var/tmp/to_scwrl_1411801139.seq -o /var/tmp/from_scwrl_1411801139.pdb > /var/tmp/scwrl_1411801139.log sh: /var/tmp/scwrl_1411801139.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1411801139.pdb or /var/tmp/from_scwrl_1411801139.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1411801139_b.pdb or decoys//var/tmp/from_scwrl_1411801139_b.pdb.gz for input Trying /var/tmp/from_scwrl_1411801139_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1411801139_b.pdb or /var/tmp/from_scwrl_1411801139_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1411801139_a.pdb or decoys//var/tmp/from_scwrl_1411801139_a.pdb.gz for input Trying /var/tmp/from_scwrl_1411801139_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1411801139_a.pdb or /var/tmp/from_scwrl_1411801139_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1411801139.pdb or /var/tmp/from_scwrl_1411801139_b.pdb or /var/tmp/from_scwrl_1411801139_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1453762428.pdb -s /var/tmp/to_scwrl_1453762428.seq -o /var/tmp/from_scwrl_1453762428.pdb > /var/tmp/scwrl_1453762428.log sh: /var/tmp/scwrl_1453762428.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1453762428.pdb or /var/tmp/from_scwrl_1453762428.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1453762428_b.pdb or decoys//var/tmp/from_scwrl_1453762428_b.pdb.gz for input Trying /var/tmp/from_scwrl_1453762428_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1453762428_b.pdb or /var/tmp/from_scwrl_1453762428_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1453762428_a.pdb or decoys//var/tmp/from_scwrl_1453762428_a.pdb.gz for input Trying /var/tmp/from_scwrl_1453762428_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1453762428_a.pdb or /var/tmp/from_scwrl_1453762428_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1453762428.pdb or /var/tmp/from_scwrl_1453762428_b.pdb or /var/tmp/from_scwrl_1453762428_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 92 ; scwrl3 -i /var/tmp/to_scwrl_2072229981.pdb -s /var/tmp/to_scwrl_2072229981.seq -o /var/tmp/from_scwrl_2072229981.pdb > /var/tmp/scwrl_2072229981.log sh: /var/tmp/scwrl_2072229981.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2072229981.pdb or /var/tmp/from_scwrl_2072229981.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2072229981_b.pdb or decoys//var/tmp/from_scwrl_2072229981_b.pdb.gz for input Trying /var/tmp/from_scwrl_2072229981_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2072229981_b.pdb or /var/tmp/from_scwrl_2072229981_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2072229981_a.pdb or decoys//var/tmp/from_scwrl_2072229981_a.pdb.gz for input Trying /var/tmp/from_scwrl_2072229981_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2072229981_a.pdb or /var/tmp/from_scwrl_2072229981_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2072229981.pdb or /var/tmp/from_scwrl_2072229981_b.pdb or /var/tmp/from_scwrl_2072229981_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1601167874.pdb -s /var/tmp/to_scwrl_1601167874.seq -o /var/tmp/from_scwrl_1601167874.pdb > /var/tmp/scwrl_1601167874.log sh: /var/tmp/scwrl_1601167874.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1601167874.pdb or /var/tmp/from_scwrl_1601167874.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601167874_b.pdb or decoys//var/tmp/from_scwrl_1601167874_b.pdb.gz for input Trying /var/tmp/from_scwrl_1601167874_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601167874_b.pdb or /var/tmp/from_scwrl_1601167874_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601167874_a.pdb or decoys//var/tmp/from_scwrl_1601167874_a.pdb.gz for input Trying /var/tmp/from_scwrl_1601167874_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601167874_a.pdb or /var/tmp/from_scwrl_1601167874_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1601167874.pdb or /var/tmp/from_scwrl_1601167874_b.pdb or /var/tmp/from_scwrl_1601167874_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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_155702997.pdb -s /var/tmp/to_scwrl_155702997.seq -o /var/tmp/from_scwrl_155702997.pdb > /var/tmp/scwrl_155702997.log sh: /var/tmp/scwrl_155702997.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_155702997.pdb or /var/tmp/from_scwrl_155702997.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_155702997_b.pdb or decoys//var/tmp/from_scwrl_155702997_b.pdb.gz for input Trying /var/tmp/from_scwrl_155702997_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_155702997_b.pdb or /var/tmp/from_scwrl_155702997_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_155702997_a.pdb or decoys//var/tmp/from_scwrl_155702997_a.pdb.gz for input Trying /var/tmp/from_scwrl_155702997_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_155702997_a.pdb or /var/tmp/from_scwrl_155702997_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_155702997.pdb or /var/tmp/from_scwrl_155702997_b.pdb or /var/tmp/from_scwrl_155702997_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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2114583667.pdb -s /var/tmp/to_scwrl_2114583667.seq -o /var/tmp/from_scwrl_2114583667.pdb > /var/tmp/scwrl_2114583667.log sh: /var/tmp/scwrl_2114583667.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2114583667.pdb or /var/tmp/from_scwrl_2114583667.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2114583667_b.pdb or decoys//var/tmp/from_scwrl_2114583667_b.pdb.gz for input Trying /var/tmp/from_scwrl_2114583667_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2114583667_b.pdb or /var/tmp/from_scwrl_2114583667_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2114583667_a.pdb or decoys//var/tmp/from_scwrl_2114583667_a.pdb.gz for input Trying /var/tmp/from_scwrl_2114583667_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2114583667_a.pdb or /var/tmp/from_scwrl_2114583667_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2114583667.pdb or /var/tmp/from_scwrl_2114583667_b.pdb or /var/tmp/from_scwrl_2114583667_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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_966623940.pdb -s /var/tmp/to_scwrl_966623940.seq -o /var/tmp/from_scwrl_966623940.pdb > /var/tmp/scwrl_966623940.log sh: /var/tmp/scwrl_966623940.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_966623940.pdb or /var/tmp/from_scwrl_966623940.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_966623940_b.pdb or decoys//var/tmp/from_scwrl_966623940_b.pdb.gz for input Trying /var/tmp/from_scwrl_966623940_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_966623940_b.pdb or /var/tmp/from_scwrl_966623940_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_966623940_a.pdb or decoys//var/tmp/from_scwrl_966623940_a.pdb.gz for input Trying /var/tmp/from_scwrl_966623940_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_966623940_a.pdb or /var/tmp/from_scwrl_966623940_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_966623940.pdb or /var/tmp/from_scwrl_966623940_b.pdb or /var/tmp/from_scwrl_966623940_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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2145550858.pdb -s /var/tmp/to_scwrl_2145550858.seq -o /var/tmp/from_scwrl_2145550858.pdb > /var/tmp/scwrl_2145550858.log sh: /var/tmp/scwrl_2145550858.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2145550858.pdb or /var/tmp/from_scwrl_2145550858.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2145550858_b.pdb or decoys//var/tmp/from_scwrl_2145550858_b.pdb.gz for input Trying /var/tmp/from_scwrl_2145550858_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2145550858_b.pdb or /var/tmp/from_scwrl_2145550858_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2145550858_a.pdb or decoys//var/tmp/from_scwrl_2145550858_a.pdb.gz for input Trying /var/tmp/from_scwrl_2145550858_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2145550858_a.pdb or /var/tmp/from_scwrl_2145550858_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2145550858.pdb or /var/tmp/from_scwrl_2145550858_b.pdb or /var/tmp/from_scwrl_2145550858_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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_461399631.pdb -s /var/tmp/to_scwrl_461399631.seq -o /var/tmp/from_scwrl_461399631.pdb > /var/tmp/scwrl_461399631.log sh: /var/tmp/scwrl_461399631.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_461399631.pdb or /var/tmp/from_scwrl_461399631.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_461399631_b.pdb or decoys//var/tmp/from_scwrl_461399631_b.pdb.gz for input Trying /var/tmp/from_scwrl_461399631_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_461399631_b.pdb or /var/tmp/from_scwrl_461399631_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_461399631_a.pdb or decoys//var/tmp/from_scwrl_461399631_a.pdb.gz for input Trying /var/tmp/from_scwrl_461399631_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_461399631_a.pdb or /var/tmp/from_scwrl_461399631_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_461399631.pdb or /var/tmp/from_scwrl_461399631_b.pdb or /var/tmp/from_scwrl_461399631_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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_878063462.pdb -s /var/tmp/to_scwrl_878063462.seq -o /var/tmp/from_scwrl_878063462.pdb > /var/tmp/scwrl_878063462.log sh: /var/tmp/scwrl_878063462.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_878063462.pdb or /var/tmp/from_scwrl_878063462.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_878063462_b.pdb or decoys//var/tmp/from_scwrl_878063462_b.pdb.gz for input Trying /var/tmp/from_scwrl_878063462_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_878063462_b.pdb or /var/tmp/from_scwrl_878063462_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_878063462_a.pdb or decoys//var/tmp/from_scwrl_878063462_a.pdb.gz for input Trying /var/tmp/from_scwrl_878063462_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_878063462_a.pdb or /var/tmp/from_scwrl_878063462_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_878063462.pdb or /var/tmp/from_scwrl_878063462_b.pdb or /var/tmp/from_scwrl_878063462_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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_984372896.pdb -s /var/tmp/to_scwrl_984372896.seq -o /var/tmp/from_scwrl_984372896.pdb > /var/tmp/scwrl_984372896.log sh: /var/tmp/scwrl_984372896.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_984372896.pdb or /var/tmp/from_scwrl_984372896.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984372896_b.pdb or decoys//var/tmp/from_scwrl_984372896_b.pdb.gz for input Trying /var/tmp/from_scwrl_984372896_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_984372896_b.pdb or /var/tmp/from_scwrl_984372896_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984372896_a.pdb or decoys//var/tmp/from_scwrl_984372896_a.pdb.gz for input Trying /var/tmp/from_scwrl_984372896_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_984372896_a.pdb or /var/tmp/from_scwrl_984372896_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_984372896.pdb or /var/tmp/from_scwrl_984372896_b.pdb or /var/tmp/from_scwrl_984372896_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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2108406566.pdb -s /var/tmp/to_scwrl_2108406566.seq -o /var/tmp/from_scwrl_2108406566.pdb > /var/tmp/scwrl_2108406566.log sh: /var/tmp/scwrl_2108406566.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2108406566.pdb or /var/tmp/from_scwrl_2108406566.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108406566_b.pdb or decoys//var/tmp/from_scwrl_2108406566_b.pdb.gz for input Trying /var/tmp/from_scwrl_2108406566_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108406566_b.pdb or /var/tmp/from_scwrl_2108406566_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108406566_a.pdb or decoys//var/tmp/from_scwrl_2108406566_a.pdb.gz for input Trying /var/tmp/from_scwrl_2108406566_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108406566_a.pdb or /var/tmp/from_scwrl_2108406566_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2108406566.pdb or /var/tmp/from_scwrl_2108406566_b.pdb or /var/tmp/from_scwrl_2108406566_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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_495759915.pdb -s /var/tmp/to_scwrl_495759915.seq -o /var/tmp/from_scwrl_495759915.pdb > /var/tmp/scwrl_495759915.log sh: /var/tmp/scwrl_495759915.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_495759915.pdb or /var/tmp/from_scwrl_495759915.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_495759915_b.pdb or decoys//var/tmp/from_scwrl_495759915_b.pdb.gz for input Trying /var/tmp/from_scwrl_495759915_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_495759915_b.pdb or /var/tmp/from_scwrl_495759915_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_495759915_a.pdb or decoys//var/tmp/from_scwrl_495759915_a.pdb.gz for input Trying /var/tmp/from_scwrl_495759915_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_495759915_a.pdb or /var/tmp/from_scwrl_495759915_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_495759915.pdb or /var/tmp/from_scwrl_495759915_b.pdb or /var/tmp/from_scwrl_495759915_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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1281601446.pdb -s /var/tmp/to_scwrl_1281601446.seq -o /var/tmp/from_scwrl_1281601446.pdb > /var/tmp/scwrl_1281601446.log sh: /var/tmp/scwrl_1281601446.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1281601446.pdb or /var/tmp/from_scwrl_1281601446.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1281601446_b.pdb or decoys//var/tmp/from_scwrl_1281601446_b.pdb.gz for input Trying /var/tmp/from_scwrl_1281601446_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1281601446_b.pdb or /var/tmp/from_scwrl_1281601446_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1281601446_a.pdb or decoys//var/tmp/from_scwrl_1281601446_a.pdb.gz for input Trying /var/tmp/from_scwrl_1281601446_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1281601446_a.pdb or /var/tmp/from_scwrl_1281601446_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1281601446.pdb or /var/tmp/from_scwrl_1281601446_b.pdb or /var/tmp/from_scwrl_1281601446_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 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1227671980.pdb -s /var/tmp/to_scwrl_1227671980.seq -o /var/tmp/from_scwrl_1227671980.pdb > /var/tmp/scwrl_1227671980.log sh: /var/tmp/scwrl_1227671980.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1227671980.pdb or /var/tmp/from_scwrl_1227671980.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1227671980_b.pdb or decoys//var/tmp/from_scwrl_1227671980_b.pdb.gz for input Trying /var/tmp/from_scwrl_1227671980_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1227671980_b.pdb or /var/tmp/from_scwrl_1227671980_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1227671980_a.pdb or decoys//var/tmp/from_scwrl_1227671980_a.pdb.gz for input Trying /var/tmp/from_scwrl_1227671980_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1227671980_a.pdb or /var/tmp/from_scwrl_1227671980_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1227671980.pdb or /var/tmp/from_scwrl_1227671980_b.pdb or /var/tmp/from_scwrl_1227671980_a.pdb Error: no new SCWRL conformation added # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_176188011.pdb -s /var/tmp/to_scwrl_176188011.seq -o /var/tmp/from_scwrl_176188011.pdb > /var/tmp/scwrl_176188011.log sh: /var/tmp/scwrl_176188011.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_176188011.pdb or /var/tmp/from_scwrl_176188011.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176188011_b.pdb or decoys//var/tmp/from_scwrl_176188011_b.pdb.gz for input Trying /var/tmp/from_scwrl_176188011_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_176188011_b.pdb or /var/tmp/from_scwrl_176188011_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176188011_a.pdb or decoys//var/tmp/from_scwrl_176188011_a.pdb.gz for input Trying /var/tmp/from_scwrl_176188011_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_176188011_a.pdb or /var/tmp/from_scwrl_176188011_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_176188011.pdb or /var/tmp/from_scwrl_176188011_b.pdb or /var/tmp/from_scwrl_176188011_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_130336494.pdb -s /var/tmp/to_scwrl_130336494.seq -o /var/tmp/from_scwrl_130336494.pdb > /var/tmp/scwrl_130336494.log sh: /var/tmp/scwrl_130336494.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_130336494.pdb or /var/tmp/from_scwrl_130336494.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_130336494_b.pdb or decoys//var/tmp/from_scwrl_130336494_b.pdb.gz for input Trying /var/tmp/from_scwrl_130336494_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_130336494_b.pdb or /var/tmp/from_scwrl_130336494_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_130336494_a.pdb or decoys//var/tmp/from_scwrl_130336494_a.pdb.gz for input Trying /var/tmp/from_scwrl_130336494_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_130336494_a.pdb or /var/tmp/from_scwrl_130336494_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_130336494.pdb or /var/tmp/from_scwrl_130336494_b.pdb or /var/tmp/from_scwrl_130336494_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_430192510.pdb -s /var/tmp/to_scwrl_430192510.seq -o /var/tmp/from_scwrl_430192510.pdb > /var/tmp/scwrl_430192510.log sh: /var/tmp/scwrl_430192510.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_430192510.pdb or /var/tmp/from_scwrl_430192510.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_430192510_b.pdb or decoys//var/tmp/from_scwrl_430192510_b.pdb.gz for input Trying /var/tmp/from_scwrl_430192510_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_430192510_b.pdb or /var/tmp/from_scwrl_430192510_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_430192510_a.pdb or decoys//var/tmp/from_scwrl_430192510_a.pdb.gz for input Trying /var/tmp/from_scwrl_430192510_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_430192510_a.pdb or /var/tmp/from_scwrl_430192510_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_430192510.pdb or /var/tmp/from_scwrl_430192510_b.pdb or /var/tmp/from_scwrl_430192510_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1574566314.pdb -s /var/tmp/to_scwrl_1574566314.seq -o /var/tmp/from_scwrl_1574566314.pdb > /var/tmp/scwrl_1574566314.log sh: /var/tmp/scwrl_1574566314.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1574566314.pdb or /var/tmp/from_scwrl_1574566314.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574566314_b.pdb or decoys//var/tmp/from_scwrl_1574566314_b.pdb.gz for input Trying /var/tmp/from_scwrl_1574566314_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574566314_b.pdb or /var/tmp/from_scwrl_1574566314_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574566314_a.pdb or decoys//var/tmp/from_scwrl_1574566314_a.pdb.gz for input Trying /var/tmp/from_scwrl_1574566314_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574566314_a.pdb or /var/tmp/from_scwrl_1574566314_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1574566314.pdb or /var/tmp/from_scwrl_1574566314_b.pdb or /var/tmp/from_scwrl_1574566314_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_214452555.pdb -s /var/tmp/to_scwrl_214452555.seq -o /var/tmp/from_scwrl_214452555.pdb > /var/tmp/scwrl_214452555.log sh: /var/tmp/scwrl_214452555.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_214452555.pdb or /var/tmp/from_scwrl_214452555.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_214452555_b.pdb or decoys//var/tmp/from_scwrl_214452555_b.pdb.gz for input Trying /var/tmp/from_scwrl_214452555_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_214452555_b.pdb or /var/tmp/from_scwrl_214452555_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_214452555_a.pdb or decoys//var/tmp/from_scwrl_214452555_a.pdb.gz for input Trying /var/tmp/from_scwrl_214452555_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_214452555_a.pdb or /var/tmp/from_scwrl_214452555_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_214452555.pdb or /var/tmp/from_scwrl_214452555_b.pdb or /var/tmp/from_scwrl_214452555_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_431501189.pdb -s /var/tmp/to_scwrl_431501189.seq -o /var/tmp/from_scwrl_431501189.pdb > /var/tmp/scwrl_431501189.log sh: /var/tmp/scwrl_431501189.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_431501189.pdb or /var/tmp/from_scwrl_431501189.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431501189_b.pdb or decoys//var/tmp/from_scwrl_431501189_b.pdb.gz for input Trying /var/tmp/from_scwrl_431501189_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_431501189_b.pdb or /var/tmp/from_scwrl_431501189_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431501189_a.pdb or decoys//var/tmp/from_scwrl_431501189_a.pdb.gz for input Trying /var/tmp/from_scwrl_431501189_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_431501189_a.pdb or /var/tmp/from_scwrl_431501189_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_431501189.pdb or /var/tmp/from_scwrl_431501189_b.pdb or /var/tmp/from_scwrl_431501189_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 24 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1626279213.pdb -s /var/tmp/to_scwrl_1626279213.seq -o /var/tmp/from_scwrl_1626279213.pdb > /var/tmp/scwrl_1626279213.log sh: /var/tmp/scwrl_1626279213.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1626279213.pdb or /var/tmp/from_scwrl_1626279213.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1626279213_b.pdb or decoys//var/tmp/from_scwrl_1626279213_b.pdb.gz for input Trying /var/tmp/from_scwrl_1626279213_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1626279213_b.pdb or /var/tmp/from_scwrl_1626279213_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1626279213_a.pdb or decoys//var/tmp/from_scwrl_1626279213_a.pdb.gz for input Trying /var/tmp/from_scwrl_1626279213_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1626279213_a.pdb or /var/tmp/from_scwrl_1626279213_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1626279213.pdb or /var/tmp/from_scwrl_1626279213_b.pdb or /var/tmp/from_scwrl_1626279213_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 51 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1006815135.pdb -s /var/tmp/to_scwrl_1006815135.seq -o /var/tmp/from_scwrl_1006815135.pdb > /var/tmp/scwrl_1006815135.log sh: /var/tmp/scwrl_1006815135.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1006815135.pdb or /var/tmp/from_scwrl_1006815135.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1006815135_b.pdb or decoys//var/tmp/from_scwrl_1006815135_b.pdb.gz for input Trying /var/tmp/from_scwrl_1006815135_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1006815135_b.pdb or /var/tmp/from_scwrl_1006815135_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1006815135_a.pdb or decoys//var/tmp/from_scwrl_1006815135_a.pdb.gz for input Trying /var/tmp/from_scwrl_1006815135_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1006815135_a.pdb or /var/tmp/from_scwrl_1006815135_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1006815135.pdb or /var/tmp/from_scwrl_1006815135_b.pdb or /var/tmp/from_scwrl_1006815135_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 48 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1307569781.pdb -s /var/tmp/to_scwrl_1307569781.seq -o /var/tmp/from_scwrl_1307569781.pdb > /var/tmp/scwrl_1307569781.log sh: /var/tmp/scwrl_1307569781.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1307569781.pdb or /var/tmp/from_scwrl_1307569781.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1307569781_b.pdb or decoys//var/tmp/from_scwrl_1307569781_b.pdb.gz for input Trying /var/tmp/from_scwrl_1307569781_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1307569781_b.pdb or /var/tmp/from_scwrl_1307569781_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1307569781_a.pdb or decoys//var/tmp/from_scwrl_1307569781_a.pdb.gz for input Trying /var/tmp/from_scwrl_1307569781_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1307569781_a.pdb or /var/tmp/from_scwrl_1307569781_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1307569781.pdb or /var/tmp/from_scwrl_1307569781_b.pdb or /var/tmp/from_scwrl_1307569781_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 10 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_441138783.pdb -s /var/tmp/to_scwrl_441138783.seq -o /var/tmp/from_scwrl_441138783.pdb > /var/tmp/scwrl_441138783.log sh: /var/tmp/scwrl_441138783.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_441138783.pdb or /var/tmp/from_scwrl_441138783.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_441138783_b.pdb or decoys//var/tmp/from_scwrl_441138783_b.pdb.gz for input Trying /var/tmp/from_scwrl_441138783_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_441138783_b.pdb or /var/tmp/from_scwrl_441138783_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_441138783_a.pdb or decoys//var/tmp/from_scwrl_441138783_a.pdb.gz for input Trying /var/tmp/from_scwrl_441138783_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_441138783_a.pdb or /var/tmp/from_scwrl_441138783_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_441138783.pdb or /var/tmp/from_scwrl_441138783_b.pdb or /var/tmp/from_scwrl_441138783_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 97 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_202951932.pdb -s /var/tmp/to_scwrl_202951932.seq -o /var/tmp/from_scwrl_202951932.pdb > /var/tmp/scwrl_202951932.log sh: /var/tmp/scwrl_202951932.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_202951932.pdb or /var/tmp/from_scwrl_202951932.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202951932_b.pdb or decoys//var/tmp/from_scwrl_202951932_b.pdb.gz for input Trying /var/tmp/from_scwrl_202951932_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_202951932_b.pdb or /var/tmp/from_scwrl_202951932_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202951932_a.pdb or decoys//var/tmp/from_scwrl_202951932_a.pdb.gz for input Trying /var/tmp/from_scwrl_202951932_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_202951932_a.pdb or /var/tmp/from_scwrl_202951932_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_202951932.pdb or /var/tmp/from_scwrl_202951932_b.pdb or /var/tmp/from_scwrl_202951932_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 99 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1974956445.pdb -s /var/tmp/to_scwrl_1974956445.seq -o /var/tmp/from_scwrl_1974956445.pdb > /var/tmp/scwrl_1974956445.log sh: /var/tmp/scwrl_1974956445.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1974956445.pdb or /var/tmp/from_scwrl_1974956445.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1974956445_b.pdb or decoys//var/tmp/from_scwrl_1974956445_b.pdb.gz for input Trying /var/tmp/from_scwrl_1974956445_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1974956445_b.pdb or /var/tmp/from_scwrl_1974956445_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1974956445_a.pdb or decoys//var/tmp/from_scwrl_1974956445_a.pdb.gz for input Trying /var/tmp/from_scwrl_1974956445_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1974956445_a.pdb or /var/tmp/from_scwrl_1974956445_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1974956445.pdb or /var/tmp/from_scwrl_1974956445_b.pdb or /var/tmp/from_scwrl_1974956445_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 100 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_812309281.pdb -s /var/tmp/to_scwrl_812309281.seq -o /var/tmp/from_scwrl_812309281.pdb > /var/tmp/scwrl_812309281.log sh: /var/tmp/scwrl_812309281.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_812309281.pdb or /var/tmp/from_scwrl_812309281.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_812309281_b.pdb or decoys//var/tmp/from_scwrl_812309281_b.pdb.gz for input Trying /var/tmp/from_scwrl_812309281_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_812309281_b.pdb or /var/tmp/from_scwrl_812309281_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_812309281_a.pdb or decoys//var/tmp/from_scwrl_812309281_a.pdb.gz for input Trying /var/tmp/from_scwrl_812309281_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_812309281_a.pdb or /var/tmp/from_scwrl_812309281_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_812309281.pdb or /var/tmp/from_scwrl_812309281_b.pdb or /var/tmp/from_scwrl_812309281_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 97 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_801311315.pdb -s /var/tmp/to_scwrl_801311315.seq -o /var/tmp/from_scwrl_801311315.pdb > /var/tmp/scwrl_801311315.log sh: /var/tmp/scwrl_801311315.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_801311315.pdb or /var/tmp/from_scwrl_801311315.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_801311315_b.pdb or decoys//var/tmp/from_scwrl_801311315_b.pdb.gz for input Trying /var/tmp/from_scwrl_801311315_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_801311315_b.pdb or /var/tmp/from_scwrl_801311315_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_801311315_a.pdb or decoys//var/tmp/from_scwrl_801311315_a.pdb.gz for input Trying /var/tmp/from_scwrl_801311315_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_801311315_a.pdb or /var/tmp/from_scwrl_801311315_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_801311315.pdb or /var/tmp/from_scwrl_801311315_b.pdb or /var/tmp/from_scwrl_801311315_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 98 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1571167976.pdb -s /var/tmp/to_scwrl_1571167976.seq -o /var/tmp/from_scwrl_1571167976.pdb > /var/tmp/scwrl_1571167976.log sh: /var/tmp/scwrl_1571167976.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1571167976.pdb or /var/tmp/from_scwrl_1571167976.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1571167976_b.pdb or decoys//var/tmp/from_scwrl_1571167976_b.pdb.gz for input Trying /var/tmp/from_scwrl_1571167976_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1571167976_b.pdb or /var/tmp/from_scwrl_1571167976_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1571167976_a.pdb or decoys//var/tmp/from_scwrl_1571167976_a.pdb.gz for input Trying /var/tmp/from_scwrl_1571167976_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1571167976_a.pdb or /var/tmp/from_scwrl_1571167976_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1571167976.pdb or /var/tmp/from_scwrl_1571167976_b.pdb or /var/tmp/from_scwrl_1571167976_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 # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1758098139.pdb -s /var/tmp/to_scwrl_1758098139.seq -o /var/tmp/from_scwrl_1758098139.pdb > /var/tmp/scwrl_1758098139.log sh: /var/tmp/scwrl_1758098139.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1758098139.pdb or /var/tmp/from_scwrl_1758098139.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758098139_b.pdb or decoys//var/tmp/from_scwrl_1758098139_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758098139_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758098139_b.pdb or /var/tmp/from_scwrl_1758098139_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758098139_a.pdb or decoys//var/tmp/from_scwrl_1758098139_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758098139_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758098139_a.pdb or /var/tmp/from_scwrl_1758098139_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758098139.pdb or /var/tmp/from_scwrl_1758098139_b.pdb or /var/tmp/from_scwrl_1758098139_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 70 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_65628808.pdb -s /var/tmp/to_scwrl_65628808.seq -o /var/tmp/from_scwrl_65628808.pdb > /var/tmp/scwrl_65628808.log sh: /var/tmp/scwrl_65628808.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_65628808.pdb or /var/tmp/from_scwrl_65628808.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_65628808_b.pdb or decoys//var/tmp/from_scwrl_65628808_b.pdb.gz for input Trying /var/tmp/from_scwrl_65628808_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_65628808_b.pdb or /var/tmp/from_scwrl_65628808_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_65628808_a.pdb or decoys//var/tmp/from_scwrl_65628808_a.pdb.gz for input Trying /var/tmp/from_scwrl_65628808_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_65628808_a.pdb or /var/tmp/from_scwrl_65628808_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_65628808.pdb or /var/tmp/from_scwrl_65628808_b.pdb or /var/tmp/from_scwrl_65628808_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 98 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_877446758.pdb -s /var/tmp/to_scwrl_877446758.seq -o /var/tmp/from_scwrl_877446758.pdb > /var/tmp/scwrl_877446758.log sh: /var/tmp/scwrl_877446758.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_877446758.pdb or /var/tmp/from_scwrl_877446758.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_877446758_b.pdb or decoys//var/tmp/from_scwrl_877446758_b.pdb.gz for input Trying /var/tmp/from_scwrl_877446758_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_877446758_b.pdb or /var/tmp/from_scwrl_877446758_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_877446758_a.pdb or decoys//var/tmp/from_scwrl_877446758_a.pdb.gz for input Trying /var/tmp/from_scwrl_877446758_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_877446758_a.pdb or /var/tmp/from_scwrl_877446758_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_877446758.pdb or /var/tmp/from_scwrl_877446758_b.pdb or /var/tmp/from_scwrl_877446758_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 90 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1682844473.pdb -s /var/tmp/to_scwrl_1682844473.seq -o /var/tmp/from_scwrl_1682844473.pdb > /var/tmp/scwrl_1682844473.log sh: /var/tmp/scwrl_1682844473.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1682844473.pdb or /var/tmp/from_scwrl_1682844473.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1682844473_b.pdb or decoys//var/tmp/from_scwrl_1682844473_b.pdb.gz for input Trying /var/tmp/from_scwrl_1682844473_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1682844473_b.pdb or /var/tmp/from_scwrl_1682844473_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1682844473_a.pdb or decoys//var/tmp/from_scwrl_1682844473_a.pdb.gz for input Trying /var/tmp/from_scwrl_1682844473_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1682844473_a.pdb or /var/tmp/from_scwrl_1682844473_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1682844473.pdb or /var/tmp/from_scwrl_1682844473_b.pdb or /var/tmp/from_scwrl_1682844473_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 70 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1666796682.pdb -s /var/tmp/to_scwrl_1666796682.seq -o /var/tmp/from_scwrl_1666796682.pdb > /var/tmp/scwrl_1666796682.log sh: /var/tmp/scwrl_1666796682.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1666796682.pdb or /var/tmp/from_scwrl_1666796682.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1666796682_b.pdb or decoys//var/tmp/from_scwrl_1666796682_b.pdb.gz for input Trying /var/tmp/from_scwrl_1666796682_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1666796682_b.pdb or /var/tmp/from_scwrl_1666796682_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1666796682_a.pdb or decoys//var/tmp/from_scwrl_1666796682_a.pdb.gz for input Trying /var/tmp/from_scwrl_1666796682_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1666796682_a.pdb or /var/tmp/from_scwrl_1666796682_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1666796682.pdb or /var/tmp/from_scwrl_1666796682_b.pdb or /var/tmp/from_scwrl_1666796682_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 100 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1033149755.pdb -s /var/tmp/to_scwrl_1033149755.seq -o /var/tmp/from_scwrl_1033149755.pdb > /var/tmp/scwrl_1033149755.log sh: /var/tmp/scwrl_1033149755.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1033149755.pdb or /var/tmp/from_scwrl_1033149755.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1033149755_b.pdb or decoys//var/tmp/from_scwrl_1033149755_b.pdb.gz for input Trying /var/tmp/from_scwrl_1033149755_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1033149755_b.pdb or /var/tmp/from_scwrl_1033149755_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1033149755_a.pdb or decoys//var/tmp/from_scwrl_1033149755_a.pdb.gz for input Trying /var/tmp/from_scwrl_1033149755_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1033149755_a.pdb or /var/tmp/from_scwrl_1033149755_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1033149755.pdb or /var/tmp/from_scwrl_1033149755_b.pdb or /var/tmp/from_scwrl_1033149755_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1649944493.pdb -s /var/tmp/to_scwrl_1649944493.seq -o /var/tmp/from_scwrl_1649944493.pdb > /var/tmp/scwrl_1649944493.log sh: /var/tmp/scwrl_1649944493.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1649944493.pdb or /var/tmp/from_scwrl_1649944493.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1649944493_b.pdb or decoys//var/tmp/from_scwrl_1649944493_b.pdb.gz for input Trying /var/tmp/from_scwrl_1649944493_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1649944493_b.pdb or /var/tmp/from_scwrl_1649944493_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1649944493_a.pdb or decoys//var/tmp/from_scwrl_1649944493_a.pdb.gz for input Trying /var/tmp/from_scwrl_1649944493_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1649944493_a.pdb or /var/tmp/from_scwrl_1649944493_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1649944493.pdb or /var/tmp/from_scwrl_1649944493_b.pdb or /var/tmp/from_scwrl_1649944493_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 92 ; scwrl3 -i /var/tmp/to_scwrl_485936975.pdb -s /var/tmp/to_scwrl_485936975.seq -o /var/tmp/from_scwrl_485936975.pdb > /var/tmp/scwrl_485936975.log sh: /var/tmp/scwrl_485936975.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_485936975.pdb or /var/tmp/from_scwrl_485936975.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_485936975_b.pdb or decoys//var/tmp/from_scwrl_485936975_b.pdb.gz for input Trying /var/tmp/from_scwrl_485936975_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_485936975_b.pdb or /var/tmp/from_scwrl_485936975_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_485936975_a.pdb or decoys//var/tmp/from_scwrl_485936975_a.pdb.gz for input Trying /var/tmp/from_scwrl_485936975_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_485936975_a.pdb or /var/tmp/from_scwrl_485936975_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_485936975.pdb or /var/tmp/from_scwrl_485936975_b.pdb or /var/tmp/from_scwrl_485936975_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1031216966.pdb -s /var/tmp/to_scwrl_1031216966.seq -o /var/tmp/from_scwrl_1031216966.pdb > /var/tmp/scwrl_1031216966.log sh: /var/tmp/scwrl_1031216966.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1031216966.pdb or /var/tmp/from_scwrl_1031216966.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1031216966_b.pdb or decoys//var/tmp/from_scwrl_1031216966_b.pdb.gz for input Trying /var/tmp/from_scwrl_1031216966_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1031216966_b.pdb or /var/tmp/from_scwrl_1031216966_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1031216966_a.pdb or decoys//var/tmp/from_scwrl_1031216966_a.pdb.gz for input Trying /var/tmp/from_scwrl_1031216966_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1031216966_a.pdb or /var/tmp/from_scwrl_1031216966_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1031216966.pdb or /var/tmp/from_scwrl_1031216966_b.pdb or /var/tmp/from_scwrl_1031216966_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 92 ; scwrl3 -i /var/tmp/to_scwrl_2111344124.pdb -s /var/tmp/to_scwrl_2111344124.seq -o /var/tmp/from_scwrl_2111344124.pdb > /var/tmp/scwrl_2111344124.log sh: /var/tmp/scwrl_2111344124.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2111344124.pdb or /var/tmp/from_scwrl_2111344124.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2111344124_b.pdb or decoys//var/tmp/from_scwrl_2111344124_b.pdb.gz for input Trying /var/tmp/from_scwrl_2111344124_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2111344124_b.pdb or /var/tmp/from_scwrl_2111344124_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2111344124_a.pdb or decoys//var/tmp/from_scwrl_2111344124_a.pdb.gz for input Trying /var/tmp/from_scwrl_2111344124_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2111344124_a.pdb or /var/tmp/from_scwrl_2111344124_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2111344124.pdb or /var/tmp/from_scwrl_2111344124_b.pdb or /var/tmp/from_scwrl_2111344124_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1364000437.pdb -s /var/tmp/to_scwrl_1364000437.seq -o /var/tmp/from_scwrl_1364000437.pdb > /var/tmp/scwrl_1364000437.log sh: /var/tmp/scwrl_1364000437.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1364000437.pdb or /var/tmp/from_scwrl_1364000437.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1364000437_b.pdb or decoys//var/tmp/from_scwrl_1364000437_b.pdb.gz for input Trying /var/tmp/from_scwrl_1364000437_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1364000437_b.pdb or /var/tmp/from_scwrl_1364000437_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1364000437_a.pdb or decoys//var/tmp/from_scwrl_1364000437_a.pdb.gz for input Trying /var/tmp/from_scwrl_1364000437_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1364000437_a.pdb or /var/tmp/from_scwrl_1364000437_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1364000437.pdb or /var/tmp/from_scwrl_1364000437_b.pdb or /var/tmp/from_scwrl_1364000437_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2015589862.pdb -s /var/tmp/to_scwrl_2015589862.seq -o /var/tmp/from_scwrl_2015589862.pdb > /var/tmp/scwrl_2015589862.log sh: /var/tmp/scwrl_2015589862.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2015589862.pdb or /var/tmp/from_scwrl_2015589862.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2015589862_b.pdb or decoys//var/tmp/from_scwrl_2015589862_b.pdb.gz for input Trying /var/tmp/from_scwrl_2015589862_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2015589862_b.pdb or /var/tmp/from_scwrl_2015589862_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2015589862_a.pdb or decoys//var/tmp/from_scwrl_2015589862_a.pdb.gz for input Trying /var/tmp/from_scwrl_2015589862_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2015589862_a.pdb or /var/tmp/from_scwrl_2015589862_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2015589862.pdb or /var/tmp/from_scwrl_2015589862_b.pdb or /var/tmp/from_scwrl_2015589862_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2072267044.pdb -s /var/tmp/to_scwrl_2072267044.seq -o /var/tmp/from_scwrl_2072267044.pdb > /var/tmp/scwrl_2072267044.log sh: /var/tmp/scwrl_2072267044.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2072267044.pdb or /var/tmp/from_scwrl_2072267044.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2072267044_b.pdb or decoys//var/tmp/from_scwrl_2072267044_b.pdb.gz for input Trying /var/tmp/from_scwrl_2072267044_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2072267044_b.pdb or /var/tmp/from_scwrl_2072267044_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2072267044_a.pdb or decoys//var/tmp/from_scwrl_2072267044_a.pdb.gz for input Trying /var/tmp/from_scwrl_2072267044_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2072267044_a.pdb or /var/tmp/from_scwrl_2072267044_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2072267044.pdb or /var/tmp/from_scwrl_2072267044_b.pdb or /var/tmp/from_scwrl_2072267044_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1859760352.pdb -s /var/tmp/to_scwrl_1859760352.seq -o /var/tmp/from_scwrl_1859760352.pdb > /var/tmp/scwrl_1859760352.log sh: /var/tmp/scwrl_1859760352.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1859760352.pdb or /var/tmp/from_scwrl_1859760352.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1859760352_b.pdb or decoys//var/tmp/from_scwrl_1859760352_b.pdb.gz for input Trying /var/tmp/from_scwrl_1859760352_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1859760352_b.pdb or /var/tmp/from_scwrl_1859760352_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1859760352_a.pdb or decoys//var/tmp/from_scwrl_1859760352_a.pdb.gz for input Trying /var/tmp/from_scwrl_1859760352_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1859760352_a.pdb or /var/tmp/from_scwrl_1859760352_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1859760352.pdb or /var/tmp/from_scwrl_1859760352_b.pdb or /var/tmp/from_scwrl_1859760352_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 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1149707661.pdb -s /var/tmp/to_scwrl_1149707661.seq -o /var/tmp/from_scwrl_1149707661.pdb > /var/tmp/scwrl_1149707661.log sh: /var/tmp/scwrl_1149707661.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1149707661.pdb or /var/tmp/from_scwrl_1149707661.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1149707661_b.pdb or decoys//var/tmp/from_scwrl_1149707661_b.pdb.gz for input Trying /var/tmp/from_scwrl_1149707661_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1149707661_b.pdb or /var/tmp/from_scwrl_1149707661_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1149707661_a.pdb or decoys//var/tmp/from_scwrl_1149707661_a.pdb.gz for input Trying /var/tmp/from_scwrl_1149707661_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1149707661_a.pdb or /var/tmp/from_scwrl_1149707661_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1149707661.pdb or /var/tmp/from_scwrl_1149707661_b.pdb or /var/tmp/from_scwrl_1149707661_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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1152455377.pdb -s /var/tmp/to_scwrl_1152455377.seq -o /var/tmp/from_scwrl_1152455377.pdb > /var/tmp/scwrl_1152455377.log sh: /var/tmp/scwrl_1152455377.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1152455377.pdb or /var/tmp/from_scwrl_1152455377.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1152455377_b.pdb or decoys//var/tmp/from_scwrl_1152455377_b.pdb.gz for input Trying /var/tmp/from_scwrl_1152455377_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1152455377_b.pdb or /var/tmp/from_scwrl_1152455377_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1152455377_a.pdb or decoys//var/tmp/from_scwrl_1152455377_a.pdb.gz for input Trying /var/tmp/from_scwrl_1152455377_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1152455377_a.pdb or /var/tmp/from_scwrl_1152455377_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1152455377.pdb or /var/tmp/from_scwrl_1152455377_b.pdb or /var/tmp/from_scwrl_1152455377_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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2035948363.pdb -s /var/tmp/to_scwrl_2035948363.seq -o /var/tmp/from_scwrl_2035948363.pdb > /var/tmp/scwrl_2035948363.log sh: /var/tmp/scwrl_2035948363.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2035948363.pdb or /var/tmp/from_scwrl_2035948363.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2035948363_b.pdb or decoys//var/tmp/from_scwrl_2035948363_b.pdb.gz for input Trying /var/tmp/from_scwrl_2035948363_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2035948363_b.pdb or /var/tmp/from_scwrl_2035948363_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2035948363_a.pdb or decoys//var/tmp/from_scwrl_2035948363_a.pdb.gz for input Trying /var/tmp/from_scwrl_2035948363_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2035948363_a.pdb or /var/tmp/from_scwrl_2035948363_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2035948363.pdb or /var/tmp/from_scwrl_2035948363_b.pdb or /var/tmp/from_scwrl_2035948363_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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1280044156.pdb -s /var/tmp/to_scwrl_1280044156.seq -o /var/tmp/from_scwrl_1280044156.pdb > /var/tmp/scwrl_1280044156.log sh: /var/tmp/scwrl_1280044156.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1280044156.pdb or /var/tmp/from_scwrl_1280044156.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280044156_b.pdb or decoys//var/tmp/from_scwrl_1280044156_b.pdb.gz for input Trying /var/tmp/from_scwrl_1280044156_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280044156_b.pdb or /var/tmp/from_scwrl_1280044156_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280044156_a.pdb or decoys//var/tmp/from_scwrl_1280044156_a.pdb.gz for input Trying /var/tmp/from_scwrl_1280044156_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280044156_a.pdb or /var/tmp/from_scwrl_1280044156_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1280044156.pdb or /var/tmp/from_scwrl_1280044156_b.pdb or /var/tmp/from_scwrl_1280044156_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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1582647887.pdb -s /var/tmp/to_scwrl_1582647887.seq -o /var/tmp/from_scwrl_1582647887.pdb > /var/tmp/scwrl_1582647887.log sh: /var/tmp/scwrl_1582647887.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1582647887.pdb or /var/tmp/from_scwrl_1582647887.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1582647887_b.pdb or decoys//var/tmp/from_scwrl_1582647887_b.pdb.gz for input Trying /var/tmp/from_scwrl_1582647887_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1582647887_b.pdb or /var/tmp/from_scwrl_1582647887_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1582647887_a.pdb or decoys//var/tmp/from_scwrl_1582647887_a.pdb.gz for input Trying /var/tmp/from_scwrl_1582647887_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1582647887_a.pdb or /var/tmp/from_scwrl_1582647887_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1582647887.pdb or /var/tmp/from_scwrl_1582647887_b.pdb or /var/tmp/from_scwrl_1582647887_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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1463031031.pdb -s /var/tmp/to_scwrl_1463031031.seq -o /var/tmp/from_scwrl_1463031031.pdb > /var/tmp/scwrl_1463031031.log sh: /var/tmp/scwrl_1463031031.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1463031031.pdb or /var/tmp/from_scwrl_1463031031.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1463031031_b.pdb or decoys//var/tmp/from_scwrl_1463031031_b.pdb.gz for input Trying /var/tmp/from_scwrl_1463031031_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1463031031_b.pdb or /var/tmp/from_scwrl_1463031031_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1463031031_a.pdb or decoys//var/tmp/from_scwrl_1463031031_a.pdb.gz for input Trying /var/tmp/from_scwrl_1463031031_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1463031031_a.pdb or /var/tmp/from_scwrl_1463031031_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1463031031.pdb or /var/tmp/from_scwrl_1463031031_b.pdb or /var/tmp/from_scwrl_1463031031_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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1494496711.pdb -s /var/tmp/to_scwrl_1494496711.seq -o /var/tmp/from_scwrl_1494496711.pdb > /var/tmp/scwrl_1494496711.log sh: /var/tmp/scwrl_1494496711.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1494496711.pdb or /var/tmp/from_scwrl_1494496711.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1494496711_b.pdb or decoys//var/tmp/from_scwrl_1494496711_b.pdb.gz for input Trying /var/tmp/from_scwrl_1494496711_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1494496711_b.pdb or /var/tmp/from_scwrl_1494496711_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1494496711_a.pdb or decoys//var/tmp/from_scwrl_1494496711_a.pdb.gz for input Trying /var/tmp/from_scwrl_1494496711_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1494496711_a.pdb or /var/tmp/from_scwrl_1494496711_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1494496711.pdb or /var/tmp/from_scwrl_1494496711_b.pdb or /var/tmp/from_scwrl_1494496711_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 T0327 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2014149076.pdb -s /var/tmp/to_scwrl_2014149076.seq -o /var/tmp/from_scwrl_2014149076.pdb > /var/tmp/scwrl_2014149076.log sh: /var/tmp/scwrl_2014149076.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2014149076.pdb or /var/tmp/from_scwrl_2014149076.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2014149076_b.pdb or decoys//var/tmp/from_scwrl_2014149076_b.pdb.gz for input Trying /var/tmp/from_scwrl_2014149076_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2014149076_b.pdb or /var/tmp/from_scwrl_2014149076_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2014149076_a.pdb or decoys//var/tmp/from_scwrl_2014149076_a.pdb.gz for input Trying /var/tmp/from_scwrl_2014149076_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2014149076_a.pdb or /var/tmp/from_scwrl_2014149076_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2014149076.pdb or /var/tmp/from_scwrl_2014149076_b.pdb or /var/tmp/from_scwrl_2014149076_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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_941826598.pdb -s /var/tmp/to_scwrl_941826598.seq -o /var/tmp/from_scwrl_941826598.pdb > /var/tmp/scwrl_941826598.log sh: /var/tmp/scwrl_941826598.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_941826598.pdb or /var/tmp/from_scwrl_941826598.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_941826598_b.pdb or decoys//var/tmp/from_scwrl_941826598_b.pdb.gz for input Trying /var/tmp/from_scwrl_941826598_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_941826598_b.pdb or /var/tmp/from_scwrl_941826598_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_941826598_a.pdb or decoys//var/tmp/from_scwrl_941826598_a.pdb.gz for input Trying /var/tmp/from_scwrl_941826598_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_941826598_a.pdb or /var/tmp/from_scwrl_941826598_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_941826598.pdb or /var/tmp/from_scwrl_941826598_b.pdb or /var/tmp/from_scwrl_941826598_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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_353828199.pdb -s /var/tmp/to_scwrl_353828199.seq -o /var/tmp/from_scwrl_353828199.pdb > /var/tmp/scwrl_353828199.log sh: /var/tmp/scwrl_353828199.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_353828199.pdb or /var/tmp/from_scwrl_353828199.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_353828199_b.pdb or decoys//var/tmp/from_scwrl_353828199_b.pdb.gz for input Trying /var/tmp/from_scwrl_353828199_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_353828199_b.pdb or /var/tmp/from_scwrl_353828199_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_353828199_a.pdb or decoys//var/tmp/from_scwrl_353828199_a.pdb.gz for input Trying /var/tmp/from_scwrl_353828199_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_353828199_a.pdb or /var/tmp/from_scwrl_353828199_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_353828199.pdb or /var/tmp/from_scwrl_353828199_b.pdb or /var/tmp/from_scwrl_353828199_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 T0327 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1174235211.pdb -s /var/tmp/to_scwrl_1174235211.seq -o /var/tmp/from_scwrl_1174235211.pdb > /var/tmp/scwrl_1174235211.log sh: /var/tmp/scwrl_1174235211.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1174235211.pdb or /var/tmp/from_scwrl_1174235211.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174235211_b.pdb or decoys//var/tmp/from_scwrl_1174235211_b.pdb.gz for input Trying /var/tmp/from_scwrl_1174235211_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174235211_b.pdb or /var/tmp/from_scwrl_1174235211_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174235211_a.pdb or decoys//var/tmp/from_scwrl_1174235211_a.pdb.gz for input Trying /var/tmp/from_scwrl_1174235211_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174235211_a.pdb or /var/tmp/from_scwrl_1174235211_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1174235211.pdb or /var/tmp/from_scwrl_1174235211_b.pdb or /var/tmp/from_scwrl_1174235211_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 T0327 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 92 ; scwrl3 -i /var/tmp/to_scwrl_1382965380.pdb -s /var/tmp/to_scwrl_1382965380.seq -o /var/tmp/from_scwrl_1382965380.pdb > /var/tmp/scwrl_1382965380.log sh: /var/tmp/scwrl_1382965380.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1382965380.pdb or /var/tmp/from_scwrl_1382965380.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1382965380_b.pdb or decoys//var/tmp/from_scwrl_1382965380_b.pdb.gz for input Trying /var/tmp/from_scwrl_1382965380_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1382965380_b.pdb or /var/tmp/from_scwrl_1382965380_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1382965380_a.pdb or decoys//var/tmp/from_scwrl_1382965380_a.pdb.gz for input Trying /var/tmp/from_scwrl_1382965380_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1382965380_a.pdb or /var/tmp/from_scwrl_1382965380_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1382965380.pdb or /var/tmp/from_scwrl_1382965380_b.pdb or /var/tmp/from_scwrl_1382965380_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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_556780131.pdb -s /var/tmp/to_scwrl_556780131.seq -o /var/tmp/from_scwrl_556780131.pdb > /var/tmp/scwrl_556780131.log sh: /var/tmp/scwrl_556780131.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_556780131.pdb or /var/tmp/from_scwrl_556780131.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_556780131_b.pdb or decoys//var/tmp/from_scwrl_556780131_b.pdb.gz for input Trying /var/tmp/from_scwrl_556780131_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_556780131_b.pdb or /var/tmp/from_scwrl_556780131_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_556780131_a.pdb or decoys//var/tmp/from_scwrl_556780131_a.pdb.gz for input Trying /var/tmp/from_scwrl_556780131_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_556780131_a.pdb or /var/tmp/from_scwrl_556780131_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_556780131.pdb or /var/tmp/from_scwrl_556780131_b.pdb or /var/tmp/from_scwrl_556780131_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 T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1001708010.pdb -s /var/tmp/to_scwrl_1001708010.seq -o /var/tmp/from_scwrl_1001708010.pdb > /var/tmp/scwrl_1001708010.log sh: /var/tmp/scwrl_1001708010.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1001708010.pdb or /var/tmp/from_scwrl_1001708010.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1001708010_b.pdb or decoys//var/tmp/from_scwrl_1001708010_b.pdb.gz for input Trying /var/tmp/from_scwrl_1001708010_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1001708010_b.pdb or /var/tmp/from_scwrl_1001708010_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1001708010_a.pdb or decoys//var/tmp/from_scwrl_1001708010_a.pdb.gz for input Trying /var/tmp/from_scwrl_1001708010_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1001708010_a.pdb or /var/tmp/from_scwrl_1001708010_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1001708010.pdb or /var/tmp/from_scwrl_1001708010_b.pdb or /var/tmp/from_scwrl_1001708010_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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_47791015.pdb -s /var/tmp/to_scwrl_47791015.seq -o /var/tmp/from_scwrl_47791015.pdb > /var/tmp/scwrl_47791015.log sh: /var/tmp/scwrl_47791015.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_47791015.pdb or /var/tmp/from_scwrl_47791015.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_47791015_b.pdb or decoys//var/tmp/from_scwrl_47791015_b.pdb.gz for input Trying /var/tmp/from_scwrl_47791015_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_47791015_b.pdb or /var/tmp/from_scwrl_47791015_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_47791015_a.pdb or decoys//var/tmp/from_scwrl_47791015_a.pdb.gz for input Trying /var/tmp/from_scwrl_47791015_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_47791015_a.pdb or /var/tmp/from_scwrl_47791015_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_47791015.pdb or /var/tmp/from_scwrl_47791015_b.pdb or /var/tmp/from_scwrl_47791015_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 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1358091446.pdb -s /var/tmp/to_scwrl_1358091446.seq -o /var/tmp/from_scwrl_1358091446.pdb > /var/tmp/scwrl_1358091446.log sh: /var/tmp/scwrl_1358091446.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1358091446.pdb or /var/tmp/from_scwrl_1358091446.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1358091446_b.pdb or decoys//var/tmp/from_scwrl_1358091446_b.pdb.gz for input Trying /var/tmp/from_scwrl_1358091446_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1358091446_b.pdb or /var/tmp/from_scwrl_1358091446_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1358091446_a.pdb or decoys//var/tmp/from_scwrl_1358091446_a.pdb.gz for input Trying /var/tmp/from_scwrl_1358091446_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1358091446_a.pdb or /var/tmp/from_scwrl_1358091446_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1358091446.pdb or /var/tmp/from_scwrl_1358091446_b.pdb or /var/tmp/from_scwrl_1358091446_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_425392339.pdb -s /var/tmp/to_scwrl_425392339.seq -o /var/tmp/from_scwrl_425392339.pdb > /var/tmp/scwrl_425392339.log sh: /var/tmp/scwrl_425392339.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_425392339.pdb or /var/tmp/from_scwrl_425392339.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_425392339_b.pdb or decoys//var/tmp/from_scwrl_425392339_b.pdb.gz for input Trying /var/tmp/from_scwrl_425392339_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_425392339_b.pdb or /var/tmp/from_scwrl_425392339_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_425392339_a.pdb or decoys//var/tmp/from_scwrl_425392339_a.pdb.gz for input Trying /var/tmp/from_scwrl_425392339_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_425392339_a.pdb or /var/tmp/from_scwrl_425392339_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_425392339.pdb or /var/tmp/from_scwrl_425392339_b.pdb or /var/tmp/from_scwrl_425392339_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1805889154.pdb -s /var/tmp/to_scwrl_1805889154.seq -o /var/tmp/from_scwrl_1805889154.pdb > /var/tmp/scwrl_1805889154.log sh: /var/tmp/scwrl_1805889154.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1805889154.pdb or /var/tmp/from_scwrl_1805889154.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1805889154_b.pdb or decoys//var/tmp/from_scwrl_1805889154_b.pdb.gz for input Trying /var/tmp/from_scwrl_1805889154_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1805889154_b.pdb or /var/tmp/from_scwrl_1805889154_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1805889154_a.pdb or decoys//var/tmp/from_scwrl_1805889154_a.pdb.gz for input Trying /var/tmp/from_scwrl_1805889154_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1805889154_a.pdb or /var/tmp/from_scwrl_1805889154_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1805889154.pdb or /var/tmp/from_scwrl_1805889154_b.pdb or /var/tmp/from_scwrl_1805889154_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 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1423720254.pdb -s /var/tmp/to_scwrl_1423720254.seq -o /var/tmp/from_scwrl_1423720254.pdb > /var/tmp/scwrl_1423720254.log sh: /var/tmp/scwrl_1423720254.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1423720254.pdb or /var/tmp/from_scwrl_1423720254.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1423720254_b.pdb or decoys//var/tmp/from_scwrl_1423720254_b.pdb.gz for input Trying /var/tmp/from_scwrl_1423720254_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1423720254_b.pdb or /var/tmp/from_scwrl_1423720254_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1423720254_a.pdb or decoys//var/tmp/from_scwrl_1423720254_a.pdb.gz for input Trying /var/tmp/from_scwrl_1423720254_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1423720254_a.pdb or /var/tmp/from_scwrl_1423720254_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1423720254.pdb or /var/tmp/from_scwrl_1423720254_b.pdb or /var/tmp/from_scwrl_1423720254_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1302839096.pdb -s /var/tmp/to_scwrl_1302839096.seq -o /var/tmp/from_scwrl_1302839096.pdb > /var/tmp/scwrl_1302839096.log sh: /var/tmp/scwrl_1302839096.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1302839096.pdb or /var/tmp/from_scwrl_1302839096.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1302839096_b.pdb or decoys//var/tmp/from_scwrl_1302839096_b.pdb.gz for input Trying /var/tmp/from_scwrl_1302839096_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1302839096_b.pdb or /var/tmp/from_scwrl_1302839096_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1302839096_a.pdb or decoys//var/tmp/from_scwrl_1302839096_a.pdb.gz for input Trying /var/tmp/from_scwrl_1302839096_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1302839096_a.pdb or /var/tmp/from_scwrl_1302839096_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1302839096.pdb or /var/tmp/from_scwrl_1302839096_b.pdb or /var/tmp/from_scwrl_1302839096_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1341249981.pdb -s /var/tmp/to_scwrl_1341249981.seq -o /var/tmp/from_scwrl_1341249981.pdb > /var/tmp/scwrl_1341249981.log sh: /var/tmp/scwrl_1341249981.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1341249981.pdb or /var/tmp/from_scwrl_1341249981.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1341249981_b.pdb or decoys//var/tmp/from_scwrl_1341249981_b.pdb.gz for input Trying /var/tmp/from_scwrl_1341249981_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1341249981_b.pdb or /var/tmp/from_scwrl_1341249981_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1341249981_a.pdb or decoys//var/tmp/from_scwrl_1341249981_a.pdb.gz for input Trying /var/tmp/from_scwrl_1341249981_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1341249981_a.pdb or /var/tmp/from_scwrl_1341249981_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1341249981.pdb or /var/tmp/from_scwrl_1341249981_b.pdb or /var/tmp/from_scwrl_1341249981_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_943033290.pdb -s /var/tmp/to_scwrl_943033290.seq -o /var/tmp/from_scwrl_943033290.pdb > /var/tmp/scwrl_943033290.log sh: /var/tmp/scwrl_943033290.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_943033290.pdb or /var/tmp/from_scwrl_943033290.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_943033290_b.pdb or decoys//var/tmp/from_scwrl_943033290_b.pdb.gz for input Trying /var/tmp/from_scwrl_943033290_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_943033290_b.pdb or /var/tmp/from_scwrl_943033290_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_943033290_a.pdb or decoys//var/tmp/from_scwrl_943033290_a.pdb.gz for input Trying /var/tmp/from_scwrl_943033290_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_943033290_a.pdb or /var/tmp/from_scwrl_943033290_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_943033290.pdb or /var/tmp/from_scwrl_943033290_b.pdb or /var/tmp/from_scwrl_943033290_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_188505205.pdb -s /var/tmp/to_scwrl_188505205.seq -o /var/tmp/from_scwrl_188505205.pdb > /var/tmp/scwrl_188505205.log sh: /var/tmp/scwrl_188505205.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_188505205.pdb or /var/tmp/from_scwrl_188505205.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_188505205_b.pdb or decoys//var/tmp/from_scwrl_188505205_b.pdb.gz for input Trying /var/tmp/from_scwrl_188505205_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_188505205_b.pdb or /var/tmp/from_scwrl_188505205_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_188505205_a.pdb or decoys//var/tmp/from_scwrl_188505205_a.pdb.gz for input Trying /var/tmp/from_scwrl_188505205_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_188505205_a.pdb or /var/tmp/from_scwrl_188505205_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_188505205.pdb or /var/tmp/from_scwrl_188505205_b.pdb or /var/tmp/from_scwrl_188505205_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 99 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_843710828.pdb -s /var/tmp/to_scwrl_843710828.seq -o /var/tmp/from_scwrl_843710828.pdb > /var/tmp/scwrl_843710828.log sh: /var/tmp/scwrl_843710828.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_843710828.pdb or /var/tmp/from_scwrl_843710828.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_843710828_b.pdb or decoys//var/tmp/from_scwrl_843710828_b.pdb.gz for input Trying /var/tmp/from_scwrl_843710828_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_843710828_b.pdb or /var/tmp/from_scwrl_843710828_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_843710828_a.pdb or decoys//var/tmp/from_scwrl_843710828_a.pdb.gz for input Trying /var/tmp/from_scwrl_843710828_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_843710828_a.pdb or /var/tmp/from_scwrl_843710828_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_843710828.pdb or /var/tmp/from_scwrl_843710828_b.pdb or /var/tmp/from_scwrl_843710828_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 62 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1428970265.pdb -s /var/tmp/to_scwrl_1428970265.seq -o /var/tmp/from_scwrl_1428970265.pdb > /var/tmp/scwrl_1428970265.log sh: /var/tmp/scwrl_1428970265.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1428970265.pdb or /var/tmp/from_scwrl_1428970265.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1428970265_b.pdb or decoys//var/tmp/from_scwrl_1428970265_b.pdb.gz for input Trying /var/tmp/from_scwrl_1428970265_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1428970265_b.pdb or /var/tmp/from_scwrl_1428970265_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1428970265_a.pdb or decoys//var/tmp/from_scwrl_1428970265_a.pdb.gz for input Trying /var/tmp/from_scwrl_1428970265_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1428970265_a.pdb or /var/tmp/from_scwrl_1428970265_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1428970265.pdb or /var/tmp/from_scwrl_1428970265_b.pdb or /var/tmp/from_scwrl_1428970265_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 19 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1219722170.pdb -s /var/tmp/to_scwrl_1219722170.seq -o /var/tmp/from_scwrl_1219722170.pdb > /var/tmp/scwrl_1219722170.log sh: /var/tmp/scwrl_1219722170.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1219722170.pdb or /var/tmp/from_scwrl_1219722170.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1219722170_b.pdb or decoys//var/tmp/from_scwrl_1219722170_b.pdb.gz for input Trying /var/tmp/from_scwrl_1219722170_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1219722170_b.pdb or /var/tmp/from_scwrl_1219722170_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1219722170_a.pdb or decoys//var/tmp/from_scwrl_1219722170_a.pdb.gz for input Trying /var/tmp/from_scwrl_1219722170_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1219722170_a.pdb or /var/tmp/from_scwrl_1219722170_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1219722170.pdb or /var/tmp/from_scwrl_1219722170_b.pdb or /var/tmp/from_scwrl_1219722170_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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_807571306.pdb -s /var/tmp/to_scwrl_807571306.seq -o /var/tmp/from_scwrl_807571306.pdb > /var/tmp/scwrl_807571306.log sh: /var/tmp/scwrl_807571306.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_807571306.pdb or /var/tmp/from_scwrl_807571306.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_807571306_b.pdb or decoys//var/tmp/from_scwrl_807571306_b.pdb.gz for input Trying /var/tmp/from_scwrl_807571306_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_807571306_b.pdb or /var/tmp/from_scwrl_807571306_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_807571306_a.pdb or decoys//var/tmp/from_scwrl_807571306_a.pdb.gz for input Trying /var/tmp/from_scwrl_807571306_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_807571306_a.pdb or /var/tmp/from_scwrl_807571306_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_807571306.pdb or /var/tmp/from_scwrl_807571306_b.pdb or /var/tmp/from_scwrl_807571306_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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_645487056.pdb -s /var/tmp/to_scwrl_645487056.seq -o /var/tmp/from_scwrl_645487056.pdb > /var/tmp/scwrl_645487056.log sh: /var/tmp/scwrl_645487056.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_645487056.pdb or /var/tmp/from_scwrl_645487056.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_645487056_b.pdb or decoys//var/tmp/from_scwrl_645487056_b.pdb.gz for input Trying /var/tmp/from_scwrl_645487056_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_645487056_b.pdb or /var/tmp/from_scwrl_645487056_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_645487056_a.pdb or decoys//var/tmp/from_scwrl_645487056_a.pdb.gz for input Trying /var/tmp/from_scwrl_645487056_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_645487056_a.pdb or /var/tmp/from_scwrl_645487056_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_645487056.pdb or /var/tmp/from_scwrl_645487056_b.pdb or /var/tmp/from_scwrl_645487056_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1087828385.pdb -s /var/tmp/to_scwrl_1087828385.seq -o /var/tmp/from_scwrl_1087828385.pdb > /var/tmp/scwrl_1087828385.log sh: /var/tmp/scwrl_1087828385.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1087828385.pdb or /var/tmp/from_scwrl_1087828385.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087828385_b.pdb or decoys//var/tmp/from_scwrl_1087828385_b.pdb.gz for input Trying /var/tmp/from_scwrl_1087828385_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087828385_b.pdb or /var/tmp/from_scwrl_1087828385_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087828385_a.pdb or decoys//var/tmp/from_scwrl_1087828385_a.pdb.gz for input Trying /var/tmp/from_scwrl_1087828385_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087828385_a.pdb or /var/tmp/from_scwrl_1087828385_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1087828385.pdb or /var/tmp/from_scwrl_1087828385_b.pdb or /var/tmp/from_scwrl_1087828385_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 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_732354703.pdb -s /var/tmp/to_scwrl_732354703.seq -o /var/tmp/from_scwrl_732354703.pdb > /var/tmp/scwrl_732354703.log sh: /var/tmp/scwrl_732354703.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_732354703.pdb or /var/tmp/from_scwrl_732354703.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_732354703_b.pdb or decoys//var/tmp/from_scwrl_732354703_b.pdb.gz for input Trying /var/tmp/from_scwrl_732354703_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_732354703_b.pdb or /var/tmp/from_scwrl_732354703_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_732354703_a.pdb or decoys//var/tmp/from_scwrl_732354703_a.pdb.gz for input Trying /var/tmp/from_scwrl_732354703_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_732354703_a.pdb or /var/tmp/from_scwrl_732354703_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_732354703.pdb or /var/tmp/from_scwrl_732354703_b.pdb or /var/tmp/from_scwrl_732354703_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 92 ; scwrl3 -i /var/tmp/to_scwrl_357763761.pdb -s /var/tmp/to_scwrl_357763761.seq -o /var/tmp/from_scwrl_357763761.pdb > /var/tmp/scwrl_357763761.log sh: /var/tmp/scwrl_357763761.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_357763761.pdb or /var/tmp/from_scwrl_357763761.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357763761_b.pdb or decoys//var/tmp/from_scwrl_357763761_b.pdb.gz for input Trying /var/tmp/from_scwrl_357763761_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_357763761_b.pdb or /var/tmp/from_scwrl_357763761_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357763761_a.pdb or decoys//var/tmp/from_scwrl_357763761_a.pdb.gz for input Trying /var/tmp/from_scwrl_357763761_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_357763761_a.pdb or /var/tmp/from_scwrl_357763761_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_357763761.pdb or /var/tmp/from_scwrl_357763761_b.pdb or /var/tmp/from_scwrl_357763761_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_90052401.pdb -s /var/tmp/to_scwrl_90052401.seq -o /var/tmp/from_scwrl_90052401.pdb > /var/tmp/scwrl_90052401.log sh: /var/tmp/scwrl_90052401.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_90052401.pdb or /var/tmp/from_scwrl_90052401.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_90052401_b.pdb or decoys//var/tmp/from_scwrl_90052401_b.pdb.gz for input Trying /var/tmp/from_scwrl_90052401_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_90052401_b.pdb or /var/tmp/from_scwrl_90052401_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_90052401_a.pdb or decoys//var/tmp/from_scwrl_90052401_a.pdb.gz for input Trying /var/tmp/from_scwrl_90052401_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_90052401_a.pdb or /var/tmp/from_scwrl_90052401_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_90052401.pdb or /var/tmp/from_scwrl_90052401_b.pdb or /var/tmp/from_scwrl_90052401_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1884810080.pdb -s /var/tmp/to_scwrl_1884810080.seq -o /var/tmp/from_scwrl_1884810080.pdb > /var/tmp/scwrl_1884810080.log sh: /var/tmp/scwrl_1884810080.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1884810080.pdb or /var/tmp/from_scwrl_1884810080.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1884810080_b.pdb or decoys//var/tmp/from_scwrl_1884810080_b.pdb.gz for input Trying /var/tmp/from_scwrl_1884810080_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1884810080_b.pdb or /var/tmp/from_scwrl_1884810080_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1884810080_a.pdb or decoys//var/tmp/from_scwrl_1884810080_a.pdb.gz for input Trying /var/tmp/from_scwrl_1884810080_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1884810080_a.pdb or /var/tmp/from_scwrl_1884810080_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1884810080.pdb or /var/tmp/from_scwrl_1884810080_b.pdb or /var/tmp/from_scwrl_1884810080_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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_246228477.pdb -s /var/tmp/to_scwrl_246228477.seq -o /var/tmp/from_scwrl_246228477.pdb > /var/tmp/scwrl_246228477.log sh: /var/tmp/scwrl_246228477.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_246228477.pdb or /var/tmp/from_scwrl_246228477.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_246228477_b.pdb or decoys//var/tmp/from_scwrl_246228477_b.pdb.gz for input Trying /var/tmp/from_scwrl_246228477_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_246228477_b.pdb or /var/tmp/from_scwrl_246228477_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_246228477_a.pdb or decoys//var/tmp/from_scwrl_246228477_a.pdb.gz for input Trying /var/tmp/from_scwrl_246228477_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_246228477_a.pdb or /var/tmp/from_scwrl_246228477_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_246228477.pdb or /var/tmp/from_scwrl_246228477_b.pdb or /var/tmp/from_scwrl_246228477_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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1370096557.pdb -s /var/tmp/to_scwrl_1370096557.seq -o /var/tmp/from_scwrl_1370096557.pdb > /var/tmp/scwrl_1370096557.log sh: /var/tmp/scwrl_1370096557.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1370096557.pdb or /var/tmp/from_scwrl_1370096557.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1370096557_b.pdb or decoys//var/tmp/from_scwrl_1370096557_b.pdb.gz for input Trying /var/tmp/from_scwrl_1370096557_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1370096557_b.pdb or /var/tmp/from_scwrl_1370096557_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1370096557_a.pdb or decoys//var/tmp/from_scwrl_1370096557_a.pdb.gz for input Trying /var/tmp/from_scwrl_1370096557_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1370096557_a.pdb or /var/tmp/from_scwrl_1370096557_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1370096557.pdb or /var/tmp/from_scwrl_1370096557_b.pdb or /var/tmp/from_scwrl_1370096557_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 75 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1319974321.pdb -s /var/tmp/to_scwrl_1319974321.seq -o /var/tmp/from_scwrl_1319974321.pdb > /var/tmp/scwrl_1319974321.log sh: /var/tmp/scwrl_1319974321.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1319974321.pdb or /var/tmp/from_scwrl_1319974321.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1319974321_b.pdb or decoys//var/tmp/from_scwrl_1319974321_b.pdb.gz for input Trying /var/tmp/from_scwrl_1319974321_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1319974321_b.pdb or /var/tmp/from_scwrl_1319974321_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1319974321_a.pdb or decoys//var/tmp/from_scwrl_1319974321_a.pdb.gz for input Trying /var/tmp/from_scwrl_1319974321_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1319974321_a.pdb or /var/tmp/from_scwrl_1319974321_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1319974321.pdb or /var/tmp/from_scwrl_1319974321_b.pdb or /var/tmp/from_scwrl_1319974321_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 51 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1709259508.pdb -s /var/tmp/to_scwrl_1709259508.seq -o /var/tmp/from_scwrl_1709259508.pdb > /var/tmp/scwrl_1709259508.log sh: /var/tmp/scwrl_1709259508.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1709259508.pdb or /var/tmp/from_scwrl_1709259508.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1709259508_b.pdb or decoys//var/tmp/from_scwrl_1709259508_b.pdb.gz for input Trying /var/tmp/from_scwrl_1709259508_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1709259508_b.pdb or /var/tmp/from_scwrl_1709259508_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1709259508_a.pdb or decoys//var/tmp/from_scwrl_1709259508_a.pdb.gz for input Trying /var/tmp/from_scwrl_1709259508_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1709259508_a.pdb or /var/tmp/from_scwrl_1709259508_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1709259508.pdb or /var/tmp/from_scwrl_1709259508_b.pdb or /var/tmp/from_scwrl_1709259508_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 77 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_717109622.pdb -s /var/tmp/to_scwrl_717109622.seq -o /var/tmp/from_scwrl_717109622.pdb > /var/tmp/scwrl_717109622.log sh: /var/tmp/scwrl_717109622.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_717109622.pdb or /var/tmp/from_scwrl_717109622.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_717109622_b.pdb or decoys//var/tmp/from_scwrl_717109622_b.pdb.gz for input Trying /var/tmp/from_scwrl_717109622_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_717109622_b.pdb or /var/tmp/from_scwrl_717109622_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_717109622_a.pdb or decoys//var/tmp/from_scwrl_717109622_a.pdb.gz for input Trying /var/tmp/from_scwrl_717109622_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_717109622_a.pdb or /var/tmp/from_scwrl_717109622_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_717109622.pdb or /var/tmp/from_scwrl_717109622_b.pdb or /var/tmp/from_scwrl_717109622_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1186639750.pdb -s /var/tmp/to_scwrl_1186639750.seq -o /var/tmp/from_scwrl_1186639750.pdb > /var/tmp/scwrl_1186639750.log sh: /var/tmp/scwrl_1186639750.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1186639750.pdb or /var/tmp/from_scwrl_1186639750.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1186639750_b.pdb or decoys//var/tmp/from_scwrl_1186639750_b.pdb.gz for input Trying /var/tmp/from_scwrl_1186639750_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1186639750_b.pdb or /var/tmp/from_scwrl_1186639750_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1186639750_a.pdb or decoys//var/tmp/from_scwrl_1186639750_a.pdb.gz for input Trying /var/tmp/from_scwrl_1186639750_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1186639750_a.pdb or /var/tmp/from_scwrl_1186639750_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1186639750.pdb or /var/tmp/from_scwrl_1186639750_b.pdb or /var/tmp/from_scwrl_1186639750_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_503602460.pdb -s /var/tmp/to_scwrl_503602460.seq -o /var/tmp/from_scwrl_503602460.pdb > /var/tmp/scwrl_503602460.log sh: /var/tmp/scwrl_503602460.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_503602460.pdb or /var/tmp/from_scwrl_503602460.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_503602460_b.pdb or decoys//var/tmp/from_scwrl_503602460_b.pdb.gz for input Trying /var/tmp/from_scwrl_503602460_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_503602460_b.pdb or /var/tmp/from_scwrl_503602460_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_503602460_a.pdb or decoys//var/tmp/from_scwrl_503602460_a.pdb.gz for input Trying /var/tmp/from_scwrl_503602460_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_503602460_a.pdb or /var/tmp/from_scwrl_503602460_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_503602460.pdb or /var/tmp/from_scwrl_503602460_b.pdb or /var/tmp/from_scwrl_503602460_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1070937821.pdb -s /var/tmp/to_scwrl_1070937821.seq -o /var/tmp/from_scwrl_1070937821.pdb > /var/tmp/scwrl_1070937821.log sh: /var/tmp/scwrl_1070937821.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1070937821.pdb or /var/tmp/from_scwrl_1070937821.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1070937821_b.pdb or decoys//var/tmp/from_scwrl_1070937821_b.pdb.gz for input Trying /var/tmp/from_scwrl_1070937821_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1070937821_b.pdb or /var/tmp/from_scwrl_1070937821_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1070937821_a.pdb or decoys//var/tmp/from_scwrl_1070937821_a.pdb.gz for input Trying /var/tmp/from_scwrl_1070937821_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1070937821_a.pdb or /var/tmp/from_scwrl_1070937821_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1070937821.pdb or /var/tmp/from_scwrl_1070937821_b.pdb or /var/tmp/from_scwrl_1070937821_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_213391315.pdb -s /var/tmp/to_scwrl_213391315.seq -o /var/tmp/from_scwrl_213391315.pdb > /var/tmp/scwrl_213391315.log sh: /var/tmp/scwrl_213391315.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_213391315.pdb or /var/tmp/from_scwrl_213391315.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_213391315_b.pdb or decoys//var/tmp/from_scwrl_213391315_b.pdb.gz for input Trying /var/tmp/from_scwrl_213391315_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_213391315_b.pdb or /var/tmp/from_scwrl_213391315_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_213391315_a.pdb or decoys//var/tmp/from_scwrl_213391315_a.pdb.gz for input Trying /var/tmp/from_scwrl_213391315_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_213391315_a.pdb or /var/tmp/from_scwrl_213391315_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_213391315.pdb or /var/tmp/from_scwrl_213391315_b.pdb or /var/tmp/from_scwrl_213391315_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1886567840.pdb -s /var/tmp/to_scwrl_1886567840.seq -o /var/tmp/from_scwrl_1886567840.pdb > /var/tmp/scwrl_1886567840.log sh: /var/tmp/scwrl_1886567840.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1886567840.pdb or /var/tmp/from_scwrl_1886567840.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1886567840_b.pdb or decoys//var/tmp/from_scwrl_1886567840_b.pdb.gz for input Trying /var/tmp/from_scwrl_1886567840_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1886567840_b.pdb or /var/tmp/from_scwrl_1886567840_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1886567840_a.pdb or decoys//var/tmp/from_scwrl_1886567840_a.pdb.gz for input Trying /var/tmp/from_scwrl_1886567840_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1886567840_a.pdb or /var/tmp/from_scwrl_1886567840_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1886567840.pdb or /var/tmp/from_scwrl_1886567840_b.pdb or /var/tmp/from_scwrl_1886567840_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1627717951.pdb -s /var/tmp/to_scwrl_1627717951.seq -o /var/tmp/from_scwrl_1627717951.pdb > /var/tmp/scwrl_1627717951.log sh: /var/tmp/scwrl_1627717951.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1627717951.pdb or /var/tmp/from_scwrl_1627717951.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1627717951_b.pdb or decoys//var/tmp/from_scwrl_1627717951_b.pdb.gz for input Trying /var/tmp/from_scwrl_1627717951_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1627717951_b.pdb or /var/tmp/from_scwrl_1627717951_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1627717951_a.pdb or decoys//var/tmp/from_scwrl_1627717951_a.pdb.gz for input Trying /var/tmp/from_scwrl_1627717951_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1627717951_a.pdb or /var/tmp/from_scwrl_1627717951_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1627717951.pdb or /var/tmp/from_scwrl_1627717951_b.pdb or /var/tmp/from_scwrl_1627717951_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1215099324.pdb -s /var/tmp/to_scwrl_1215099324.seq -o /var/tmp/from_scwrl_1215099324.pdb > /var/tmp/scwrl_1215099324.log sh: /var/tmp/scwrl_1215099324.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1215099324.pdb or /var/tmp/from_scwrl_1215099324.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1215099324_b.pdb or decoys//var/tmp/from_scwrl_1215099324_b.pdb.gz for input Trying /var/tmp/from_scwrl_1215099324_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1215099324_b.pdb or /var/tmp/from_scwrl_1215099324_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1215099324_a.pdb or decoys//var/tmp/from_scwrl_1215099324_a.pdb.gz for input Trying /var/tmp/from_scwrl_1215099324_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1215099324_a.pdb or /var/tmp/from_scwrl_1215099324_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1215099324.pdb or /var/tmp/from_scwrl_1215099324_b.pdb or /var/tmp/from_scwrl_1215099324_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 Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1934358855.pdb -s /var/tmp/to_scwrl_1934358855.seq -o /var/tmp/from_scwrl_1934358855.pdb > /var/tmp/scwrl_1934358855.log sh: /var/tmp/scwrl_1934358855.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1934358855.pdb or /var/tmp/from_scwrl_1934358855.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1934358855_b.pdb or decoys//var/tmp/from_scwrl_1934358855_b.pdb.gz for input Trying /var/tmp/from_scwrl_1934358855_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1934358855_b.pdb or /var/tmp/from_scwrl_1934358855_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1934358855_a.pdb or decoys//var/tmp/from_scwrl_1934358855_a.pdb.gz for input Trying /var/tmp/from_scwrl_1934358855_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1934358855_a.pdb or /var/tmp/from_scwrl_1934358855_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1934358855.pdb or /var/tmp/from_scwrl_1934358855_b.pdb or /var/tmp/from_scwrl_1934358855_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_838325751.pdb -s /var/tmp/to_scwrl_838325751.seq -o /var/tmp/from_scwrl_838325751.pdb > /var/tmp/scwrl_838325751.log sh: /var/tmp/scwrl_838325751.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_838325751.pdb or /var/tmp/from_scwrl_838325751.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_838325751_b.pdb or decoys//var/tmp/from_scwrl_838325751_b.pdb.gz for input Trying /var/tmp/from_scwrl_838325751_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_838325751_b.pdb or /var/tmp/from_scwrl_838325751_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_838325751_a.pdb or decoys//var/tmp/from_scwrl_838325751_a.pdb.gz for input Trying /var/tmp/from_scwrl_838325751_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_838325751_a.pdb or /var/tmp/from_scwrl_838325751_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_838325751.pdb or /var/tmp/from_scwrl_838325751_b.pdb or /var/tmp/from_scwrl_838325751_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1640491663.pdb -s /var/tmp/to_scwrl_1640491663.seq -o /var/tmp/from_scwrl_1640491663.pdb > /var/tmp/scwrl_1640491663.log sh: /var/tmp/scwrl_1640491663.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1640491663.pdb or /var/tmp/from_scwrl_1640491663.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1640491663_b.pdb or decoys//var/tmp/from_scwrl_1640491663_b.pdb.gz for input Trying /var/tmp/from_scwrl_1640491663_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1640491663_b.pdb or /var/tmp/from_scwrl_1640491663_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1640491663_a.pdb or decoys//var/tmp/from_scwrl_1640491663_a.pdb.gz for input Trying /var/tmp/from_scwrl_1640491663_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1640491663_a.pdb or /var/tmp/from_scwrl_1640491663_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1640491663.pdb or /var/tmp/from_scwrl_1640491663_b.pdb or /var/tmp/from_scwrl_1640491663_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1592764363.pdb -s /var/tmp/to_scwrl_1592764363.seq -o /var/tmp/from_scwrl_1592764363.pdb > /var/tmp/scwrl_1592764363.log sh: /var/tmp/scwrl_1592764363.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1592764363.pdb or /var/tmp/from_scwrl_1592764363.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1592764363_b.pdb or decoys//var/tmp/from_scwrl_1592764363_b.pdb.gz for input Trying /var/tmp/from_scwrl_1592764363_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1592764363_b.pdb or /var/tmp/from_scwrl_1592764363_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1592764363_a.pdb or decoys//var/tmp/from_scwrl_1592764363_a.pdb.gz for input Trying /var/tmp/from_scwrl_1592764363_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1592764363_a.pdb or /var/tmp/from_scwrl_1592764363_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1592764363.pdb or /var/tmp/from_scwrl_1592764363_b.pdb or /var/tmp/from_scwrl_1592764363_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_114562358.pdb -s /var/tmp/to_scwrl_114562358.seq -o /var/tmp/from_scwrl_114562358.pdb > /var/tmp/scwrl_114562358.log sh: /var/tmp/scwrl_114562358.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_114562358.pdb or /var/tmp/from_scwrl_114562358.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_114562358_b.pdb or decoys//var/tmp/from_scwrl_114562358_b.pdb.gz for input Trying /var/tmp/from_scwrl_114562358_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_114562358_b.pdb or /var/tmp/from_scwrl_114562358_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_114562358_a.pdb or decoys//var/tmp/from_scwrl_114562358_a.pdb.gz for input Trying /var/tmp/from_scwrl_114562358_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_114562358_a.pdb or /var/tmp/from_scwrl_114562358_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_114562358.pdb or /var/tmp/from_scwrl_114562358_b.pdb or /var/tmp/from_scwrl_114562358_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 50, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 52, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_795847114.pdb -s /var/tmp/to_scwrl_795847114.seq -o /var/tmp/from_scwrl_795847114.pdb > /var/tmp/scwrl_795847114.log sh: /var/tmp/scwrl_795847114.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_795847114.pdb or /var/tmp/from_scwrl_795847114.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_795847114_b.pdb or decoys//var/tmp/from_scwrl_795847114_b.pdb.gz for input Trying /var/tmp/from_scwrl_795847114_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_795847114_b.pdb or /var/tmp/from_scwrl_795847114_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_795847114_a.pdb or decoys//var/tmp/from_scwrl_795847114_a.pdb.gz for input Trying /var/tmp/from_scwrl_795847114_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_795847114_a.pdb or /var/tmp/from_scwrl_795847114_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_795847114.pdb or /var/tmp/from_scwrl_795847114_b.pdb or /var/tmp/from_scwrl_795847114_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_786530698.pdb -s /var/tmp/to_scwrl_786530698.seq -o /var/tmp/from_scwrl_786530698.pdb > /var/tmp/scwrl_786530698.log sh: /var/tmp/scwrl_786530698.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_786530698.pdb or /var/tmp/from_scwrl_786530698.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_786530698_b.pdb or decoys//var/tmp/from_scwrl_786530698_b.pdb.gz for input Trying /var/tmp/from_scwrl_786530698_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_786530698_b.pdb or /var/tmp/from_scwrl_786530698_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_786530698_a.pdb or decoys//var/tmp/from_scwrl_786530698_a.pdb.gz for input Trying /var/tmp/from_scwrl_786530698_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_786530698_a.pdb or /var/tmp/from_scwrl_786530698_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_786530698.pdb or /var/tmp/from_scwrl_786530698_b.pdb or /var/tmp/from_scwrl_786530698_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1057595649.pdb -s /var/tmp/to_scwrl_1057595649.seq -o /var/tmp/from_scwrl_1057595649.pdb > /var/tmp/scwrl_1057595649.log sh: /var/tmp/scwrl_1057595649.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1057595649.pdb or /var/tmp/from_scwrl_1057595649.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057595649_b.pdb or decoys//var/tmp/from_scwrl_1057595649_b.pdb.gz for input Trying /var/tmp/from_scwrl_1057595649_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057595649_b.pdb or /var/tmp/from_scwrl_1057595649_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057595649_a.pdb or decoys//var/tmp/from_scwrl_1057595649_a.pdb.gz for input Trying /var/tmp/from_scwrl_1057595649_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057595649_a.pdb or /var/tmp/from_scwrl_1057595649_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1057595649.pdb or /var/tmp/from_scwrl_1057595649_b.pdb or /var/tmp/from_scwrl_1057595649_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 100 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_984352319.pdb -s /var/tmp/to_scwrl_984352319.seq -o /var/tmp/from_scwrl_984352319.pdb > /var/tmp/scwrl_984352319.log sh: /var/tmp/scwrl_984352319.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_984352319.pdb or /var/tmp/from_scwrl_984352319.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984352319_b.pdb or decoys//var/tmp/from_scwrl_984352319_b.pdb.gz for input Trying /var/tmp/from_scwrl_984352319_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_984352319_b.pdb or /var/tmp/from_scwrl_984352319_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984352319_a.pdb or decoys//var/tmp/from_scwrl_984352319_a.pdb.gz for input Trying /var/tmp/from_scwrl_984352319_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_984352319_a.pdb or /var/tmp/from_scwrl_984352319_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_984352319.pdb or /var/tmp/from_scwrl_984352319_b.pdb or /var/tmp/from_scwrl_984352319_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1630241525.pdb -s /var/tmp/to_scwrl_1630241525.seq -o /var/tmp/from_scwrl_1630241525.pdb > /var/tmp/scwrl_1630241525.log sh: /var/tmp/scwrl_1630241525.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1630241525.pdb or /var/tmp/from_scwrl_1630241525.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630241525_b.pdb or decoys//var/tmp/from_scwrl_1630241525_b.pdb.gz for input Trying /var/tmp/from_scwrl_1630241525_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630241525_b.pdb or /var/tmp/from_scwrl_1630241525_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630241525_a.pdb or decoys//var/tmp/from_scwrl_1630241525_a.pdb.gz for input Trying /var/tmp/from_scwrl_1630241525_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630241525_a.pdb or /var/tmp/from_scwrl_1630241525_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1630241525.pdb or /var/tmp/from_scwrl_1630241525_b.pdb or /var/tmp/from_scwrl_1630241525_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_339082267.pdb -s /var/tmp/to_scwrl_339082267.seq -o /var/tmp/from_scwrl_339082267.pdb > /var/tmp/scwrl_339082267.log sh: /var/tmp/scwrl_339082267.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_339082267.pdb or /var/tmp/from_scwrl_339082267.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_339082267_b.pdb or decoys//var/tmp/from_scwrl_339082267_b.pdb.gz for input Trying /var/tmp/from_scwrl_339082267_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_339082267_b.pdb or /var/tmp/from_scwrl_339082267_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_339082267_a.pdb or decoys//var/tmp/from_scwrl_339082267_a.pdb.gz for input Trying /var/tmp/from_scwrl_339082267_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_339082267_a.pdb or /var/tmp/from_scwrl_339082267_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_339082267.pdb or /var/tmp/from_scwrl_339082267_b.pdb or /var/tmp/from_scwrl_339082267_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_56590842.pdb -s /var/tmp/to_scwrl_56590842.seq -o /var/tmp/from_scwrl_56590842.pdb > /var/tmp/scwrl_56590842.log sh: /var/tmp/scwrl_56590842.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_56590842.pdb or /var/tmp/from_scwrl_56590842.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_56590842_b.pdb or decoys//var/tmp/from_scwrl_56590842_b.pdb.gz for input Trying /var/tmp/from_scwrl_56590842_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_56590842_b.pdb or /var/tmp/from_scwrl_56590842_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_56590842_a.pdb or decoys//var/tmp/from_scwrl_56590842_a.pdb.gz for input Trying /var/tmp/from_scwrl_56590842_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_56590842_a.pdb or /var/tmp/from_scwrl_56590842_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_56590842.pdb or /var/tmp/from_scwrl_56590842_b.pdb or /var/tmp/from_scwrl_56590842_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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_290329184.pdb -s /var/tmp/to_scwrl_290329184.seq -o /var/tmp/from_scwrl_290329184.pdb > /var/tmp/scwrl_290329184.log sh: /var/tmp/scwrl_290329184.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_290329184.pdb or /var/tmp/from_scwrl_290329184.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_290329184_b.pdb or decoys//var/tmp/from_scwrl_290329184_b.pdb.gz for input Trying /var/tmp/from_scwrl_290329184_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_290329184_b.pdb or /var/tmp/from_scwrl_290329184_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_290329184_a.pdb or decoys//var/tmp/from_scwrl_290329184_a.pdb.gz for input Trying /var/tmp/from_scwrl_290329184_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_290329184_a.pdb or /var/tmp/from_scwrl_290329184_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_290329184.pdb or /var/tmp/from_scwrl_290329184_b.pdb or /var/tmp/from_scwrl_290329184_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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_984569323.pdb -s /var/tmp/to_scwrl_984569323.seq -o /var/tmp/from_scwrl_984569323.pdb > /var/tmp/scwrl_984569323.log sh: /var/tmp/scwrl_984569323.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_984569323.pdb or /var/tmp/from_scwrl_984569323.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984569323_b.pdb or decoys//var/tmp/from_scwrl_984569323_b.pdb.gz for input Trying /var/tmp/from_scwrl_984569323_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_984569323_b.pdb or /var/tmp/from_scwrl_984569323_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984569323_a.pdb or decoys//var/tmp/from_scwrl_984569323_a.pdb.gz for input Trying /var/tmp/from_scwrl_984569323_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_984569323_a.pdb or /var/tmp/from_scwrl_984569323_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_984569323.pdb or /var/tmp/from_scwrl_984569323_b.pdb or /var/tmp/from_scwrl_984569323_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 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1144419228.pdb -s /var/tmp/to_scwrl_1144419228.seq -o /var/tmp/from_scwrl_1144419228.pdb > /var/tmp/scwrl_1144419228.log sh: /var/tmp/scwrl_1144419228.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1144419228.pdb or /var/tmp/from_scwrl_1144419228.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1144419228_b.pdb or decoys//var/tmp/from_scwrl_1144419228_b.pdb.gz for input Trying /var/tmp/from_scwrl_1144419228_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1144419228_b.pdb or /var/tmp/from_scwrl_1144419228_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1144419228_a.pdb or decoys//var/tmp/from_scwrl_1144419228_a.pdb.gz for input Trying /var/tmp/from_scwrl_1144419228_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1144419228_a.pdb or /var/tmp/from_scwrl_1144419228_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1144419228.pdb or /var/tmp/from_scwrl_1144419228_b.pdb or /var/tmp/from_scwrl_1144419228_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 75 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1022683887.pdb -s /var/tmp/to_scwrl_1022683887.seq -o /var/tmp/from_scwrl_1022683887.pdb > /var/tmp/scwrl_1022683887.log sh: /var/tmp/scwrl_1022683887.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1022683887.pdb or /var/tmp/from_scwrl_1022683887.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1022683887_b.pdb or decoys//var/tmp/from_scwrl_1022683887_b.pdb.gz for input Trying /var/tmp/from_scwrl_1022683887_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1022683887_b.pdb or /var/tmp/from_scwrl_1022683887_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1022683887_a.pdb or decoys//var/tmp/from_scwrl_1022683887_a.pdb.gz for input Trying /var/tmp/from_scwrl_1022683887_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1022683887_a.pdb or /var/tmp/from_scwrl_1022683887_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1022683887.pdb or /var/tmp/from_scwrl_1022683887_b.pdb or /var/tmp/from_scwrl_1022683887_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1342333083.pdb -s /var/tmp/to_scwrl_1342333083.seq -o /var/tmp/from_scwrl_1342333083.pdb > /var/tmp/scwrl_1342333083.log sh: /var/tmp/scwrl_1342333083.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1342333083.pdb or /var/tmp/from_scwrl_1342333083.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1342333083_b.pdb or decoys//var/tmp/from_scwrl_1342333083_b.pdb.gz for input Trying /var/tmp/from_scwrl_1342333083_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1342333083_b.pdb or /var/tmp/from_scwrl_1342333083_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1342333083_a.pdb or decoys//var/tmp/from_scwrl_1342333083_a.pdb.gz for input Trying /var/tmp/from_scwrl_1342333083_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1342333083_a.pdb or /var/tmp/from_scwrl_1342333083_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1342333083.pdb or /var/tmp/from_scwrl_1342333083_b.pdb or /var/tmp/from_scwrl_1342333083_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1234471629.pdb -s /var/tmp/to_scwrl_1234471629.seq -o /var/tmp/from_scwrl_1234471629.pdb > /var/tmp/scwrl_1234471629.log sh: /var/tmp/scwrl_1234471629.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1234471629.pdb or /var/tmp/from_scwrl_1234471629.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1234471629_b.pdb or decoys//var/tmp/from_scwrl_1234471629_b.pdb.gz for input Trying /var/tmp/from_scwrl_1234471629_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1234471629_b.pdb or /var/tmp/from_scwrl_1234471629_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1234471629_a.pdb or decoys//var/tmp/from_scwrl_1234471629_a.pdb.gz for input Trying /var/tmp/from_scwrl_1234471629_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1234471629_a.pdb or /var/tmp/from_scwrl_1234471629_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1234471629.pdb or /var/tmp/from_scwrl_1234471629_b.pdb or /var/tmp/from_scwrl_1234471629_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 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_760010321.pdb -s /var/tmp/to_scwrl_760010321.seq -o /var/tmp/from_scwrl_760010321.pdb > /var/tmp/scwrl_760010321.log sh: /var/tmp/scwrl_760010321.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_760010321.pdb or /var/tmp/from_scwrl_760010321.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_760010321_b.pdb or decoys//var/tmp/from_scwrl_760010321_b.pdb.gz for input Trying /var/tmp/from_scwrl_760010321_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_760010321_b.pdb or /var/tmp/from_scwrl_760010321_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_760010321_a.pdb or decoys//var/tmp/from_scwrl_760010321_a.pdb.gz for input Trying /var/tmp/from_scwrl_760010321_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_760010321_a.pdb or /var/tmp/from_scwrl_760010321_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_760010321.pdb or /var/tmp/from_scwrl_760010321_b.pdb or /var/tmp/from_scwrl_760010321_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1588561560.pdb -s /var/tmp/to_scwrl_1588561560.seq -o /var/tmp/from_scwrl_1588561560.pdb > /var/tmp/scwrl_1588561560.log sh: /var/tmp/scwrl_1588561560.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1588561560.pdb or /var/tmp/from_scwrl_1588561560.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1588561560_b.pdb or decoys//var/tmp/from_scwrl_1588561560_b.pdb.gz for input Trying /var/tmp/from_scwrl_1588561560_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1588561560_b.pdb or /var/tmp/from_scwrl_1588561560_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1588561560_a.pdb or decoys//var/tmp/from_scwrl_1588561560_a.pdb.gz for input Trying /var/tmp/from_scwrl_1588561560_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1588561560_a.pdb or /var/tmp/from_scwrl_1588561560_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1588561560.pdb or /var/tmp/from_scwrl_1588561560_b.pdb or /var/tmp/from_scwrl_1588561560_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 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_457084540.pdb -s /var/tmp/to_scwrl_457084540.seq -o /var/tmp/from_scwrl_457084540.pdb > /var/tmp/scwrl_457084540.log sh: /var/tmp/scwrl_457084540.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_457084540.pdb or /var/tmp/from_scwrl_457084540.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457084540_b.pdb or decoys//var/tmp/from_scwrl_457084540_b.pdb.gz for input Trying /var/tmp/from_scwrl_457084540_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_457084540_b.pdb or /var/tmp/from_scwrl_457084540_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457084540_a.pdb or decoys//var/tmp/from_scwrl_457084540_a.pdb.gz for input Trying /var/tmp/from_scwrl_457084540_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_457084540_a.pdb or /var/tmp/from_scwrl_457084540_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_457084540.pdb or /var/tmp/from_scwrl_457084540_b.pdb or /var/tmp/from_scwrl_457084540_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2079984642.pdb -s /var/tmp/to_scwrl_2079984642.seq -o /var/tmp/from_scwrl_2079984642.pdb > /var/tmp/scwrl_2079984642.log sh: /var/tmp/scwrl_2079984642.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2079984642.pdb or /var/tmp/from_scwrl_2079984642.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2079984642_b.pdb or decoys//var/tmp/from_scwrl_2079984642_b.pdb.gz for input Trying /var/tmp/from_scwrl_2079984642_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2079984642_b.pdb or /var/tmp/from_scwrl_2079984642_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2079984642_a.pdb or decoys//var/tmp/from_scwrl_2079984642_a.pdb.gz for input Trying /var/tmp/from_scwrl_2079984642_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2079984642_a.pdb or /var/tmp/from_scwrl_2079984642_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2079984642.pdb or /var/tmp/from_scwrl_2079984642_b.pdb or /var/tmp/from_scwrl_2079984642_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1150337422.pdb -s /var/tmp/to_scwrl_1150337422.seq -o /var/tmp/from_scwrl_1150337422.pdb > /var/tmp/scwrl_1150337422.log sh: /var/tmp/scwrl_1150337422.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1150337422.pdb or /var/tmp/from_scwrl_1150337422.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1150337422_b.pdb or decoys//var/tmp/from_scwrl_1150337422_b.pdb.gz for input Trying /var/tmp/from_scwrl_1150337422_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1150337422_b.pdb or /var/tmp/from_scwrl_1150337422_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1150337422_a.pdb or decoys//var/tmp/from_scwrl_1150337422_a.pdb.gz for input Trying /var/tmp/from_scwrl_1150337422_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1150337422_a.pdb or /var/tmp/from_scwrl_1150337422_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1150337422.pdb or /var/tmp/from_scwrl_1150337422_b.pdb or /var/tmp/from_scwrl_1150337422_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1174194161.pdb -s /var/tmp/to_scwrl_1174194161.seq -o /var/tmp/from_scwrl_1174194161.pdb > /var/tmp/scwrl_1174194161.log sh: /var/tmp/scwrl_1174194161.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1174194161.pdb or /var/tmp/from_scwrl_1174194161.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174194161_b.pdb or decoys//var/tmp/from_scwrl_1174194161_b.pdb.gz for input Trying /var/tmp/from_scwrl_1174194161_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174194161_b.pdb or /var/tmp/from_scwrl_1174194161_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174194161_a.pdb or decoys//var/tmp/from_scwrl_1174194161_a.pdb.gz for input Trying /var/tmp/from_scwrl_1174194161_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174194161_a.pdb or /var/tmp/from_scwrl_1174194161_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1174194161.pdb or /var/tmp/from_scwrl_1174194161_b.pdb or /var/tmp/from_scwrl_1174194161_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1119140745.pdb -s /var/tmp/to_scwrl_1119140745.seq -o /var/tmp/from_scwrl_1119140745.pdb > /var/tmp/scwrl_1119140745.log sh: /var/tmp/scwrl_1119140745.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1119140745.pdb or /var/tmp/from_scwrl_1119140745.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1119140745_b.pdb or decoys//var/tmp/from_scwrl_1119140745_b.pdb.gz for input Trying /var/tmp/from_scwrl_1119140745_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1119140745_b.pdb or /var/tmp/from_scwrl_1119140745_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1119140745_a.pdb or decoys//var/tmp/from_scwrl_1119140745_a.pdb.gz for input Trying /var/tmp/from_scwrl_1119140745_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1119140745_a.pdb or /var/tmp/from_scwrl_1119140745_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1119140745.pdb or /var/tmp/from_scwrl_1119140745_b.pdb or /var/tmp/from_scwrl_1119140745_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 77 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1653939882.pdb -s /var/tmp/to_scwrl_1653939882.seq -o /var/tmp/from_scwrl_1653939882.pdb > /var/tmp/scwrl_1653939882.log sh: /var/tmp/scwrl_1653939882.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1653939882.pdb or /var/tmp/from_scwrl_1653939882.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1653939882_b.pdb or decoys//var/tmp/from_scwrl_1653939882_b.pdb.gz for input Trying /var/tmp/from_scwrl_1653939882_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1653939882_b.pdb or /var/tmp/from_scwrl_1653939882_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1653939882_a.pdb or decoys//var/tmp/from_scwrl_1653939882_a.pdb.gz for input Trying /var/tmp/from_scwrl_1653939882_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1653939882_a.pdb or /var/tmp/from_scwrl_1653939882_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1653939882.pdb or /var/tmp/from_scwrl_1653939882_b.pdb or /var/tmp/from_scwrl_1653939882_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 65 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_97648335.pdb -s /var/tmp/to_scwrl_97648335.seq -o /var/tmp/from_scwrl_97648335.pdb > /var/tmp/scwrl_97648335.log sh: /var/tmp/scwrl_97648335.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_97648335.pdb or /var/tmp/from_scwrl_97648335.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_97648335_b.pdb or decoys//var/tmp/from_scwrl_97648335_b.pdb.gz for input Trying /var/tmp/from_scwrl_97648335_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_97648335_b.pdb or /var/tmp/from_scwrl_97648335_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_97648335_a.pdb or decoys//var/tmp/from_scwrl_97648335_a.pdb.gz for input Trying /var/tmp/from_scwrl_97648335_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_97648335_a.pdb or /var/tmp/from_scwrl_97648335_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_97648335.pdb or /var/tmp/from_scwrl_97648335_b.pdb or /var/tmp/from_scwrl_97648335_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 29 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1332532061.pdb -s /var/tmp/to_scwrl_1332532061.seq -o /var/tmp/from_scwrl_1332532061.pdb > /var/tmp/scwrl_1332532061.log sh: /var/tmp/scwrl_1332532061.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1332532061.pdb or /var/tmp/from_scwrl_1332532061.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1332532061_b.pdb or decoys//var/tmp/from_scwrl_1332532061_b.pdb.gz for input Trying /var/tmp/from_scwrl_1332532061_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1332532061_b.pdb or /var/tmp/from_scwrl_1332532061_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1332532061_a.pdb or decoys//var/tmp/from_scwrl_1332532061_a.pdb.gz for input Trying /var/tmp/from_scwrl_1332532061_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1332532061_a.pdb or /var/tmp/from_scwrl_1332532061_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1332532061.pdb or /var/tmp/from_scwrl_1332532061_b.pdb or /var/tmp/from_scwrl_1332532061_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1393024075.pdb -s /var/tmp/to_scwrl_1393024075.seq -o /var/tmp/from_scwrl_1393024075.pdb > /var/tmp/scwrl_1393024075.log sh: /var/tmp/scwrl_1393024075.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1393024075.pdb or /var/tmp/from_scwrl_1393024075.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1393024075_b.pdb or decoys//var/tmp/from_scwrl_1393024075_b.pdb.gz for input Trying /var/tmp/from_scwrl_1393024075_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1393024075_b.pdb or /var/tmp/from_scwrl_1393024075_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1393024075_a.pdb or decoys//var/tmp/from_scwrl_1393024075_a.pdb.gz for input Trying /var/tmp/from_scwrl_1393024075_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1393024075_a.pdb or /var/tmp/from_scwrl_1393024075_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1393024075.pdb or /var/tmp/from_scwrl_1393024075_b.pdb or /var/tmp/from_scwrl_1393024075_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1725366286.pdb -s /var/tmp/to_scwrl_1725366286.seq -o /var/tmp/from_scwrl_1725366286.pdb > /var/tmp/scwrl_1725366286.log sh: /var/tmp/scwrl_1725366286.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1725366286.pdb or /var/tmp/from_scwrl_1725366286.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1725366286_b.pdb or decoys//var/tmp/from_scwrl_1725366286_b.pdb.gz for input Trying /var/tmp/from_scwrl_1725366286_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1725366286_b.pdb or /var/tmp/from_scwrl_1725366286_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1725366286_a.pdb or decoys//var/tmp/from_scwrl_1725366286_a.pdb.gz for input Trying /var/tmp/from_scwrl_1725366286_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1725366286_a.pdb or /var/tmp/from_scwrl_1725366286_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1725366286.pdb or /var/tmp/from_scwrl_1725366286_b.pdb or /var/tmp/from_scwrl_1725366286_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_400147739.pdb -s /var/tmp/to_scwrl_400147739.seq -o /var/tmp/from_scwrl_400147739.pdb > /var/tmp/scwrl_400147739.log sh: /var/tmp/scwrl_400147739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_400147739.pdb or /var/tmp/from_scwrl_400147739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_400147739_b.pdb or decoys//var/tmp/from_scwrl_400147739_b.pdb.gz for input Trying /var/tmp/from_scwrl_400147739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_400147739_b.pdb or /var/tmp/from_scwrl_400147739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_400147739_a.pdb or decoys//var/tmp/from_scwrl_400147739_a.pdb.gz for input Trying /var/tmp/from_scwrl_400147739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_400147739_a.pdb or /var/tmp/from_scwrl_400147739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_400147739.pdb or /var/tmp/from_scwrl_400147739_b.pdb or /var/tmp/from_scwrl_400147739_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1179899284.pdb -s /var/tmp/to_scwrl_1179899284.seq -o /var/tmp/from_scwrl_1179899284.pdb > /var/tmp/scwrl_1179899284.log sh: /var/tmp/scwrl_1179899284.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1179899284.pdb or /var/tmp/from_scwrl_1179899284.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1179899284_b.pdb or decoys//var/tmp/from_scwrl_1179899284_b.pdb.gz for input Trying /var/tmp/from_scwrl_1179899284_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1179899284_b.pdb or /var/tmp/from_scwrl_1179899284_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1179899284_a.pdb or decoys//var/tmp/from_scwrl_1179899284_a.pdb.gz for input Trying /var/tmp/from_scwrl_1179899284_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1179899284_a.pdb or /var/tmp/from_scwrl_1179899284_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1179899284.pdb or /var/tmp/from_scwrl_1179899284_b.pdb or /var/tmp/from_scwrl_1179899284_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_416208391.pdb -s /var/tmp/to_scwrl_416208391.seq -o /var/tmp/from_scwrl_416208391.pdb > /var/tmp/scwrl_416208391.log sh: /var/tmp/scwrl_416208391.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_416208391.pdb or /var/tmp/from_scwrl_416208391.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_416208391_b.pdb or decoys//var/tmp/from_scwrl_416208391_b.pdb.gz for input Trying /var/tmp/from_scwrl_416208391_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_416208391_b.pdb or /var/tmp/from_scwrl_416208391_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_416208391_a.pdb or decoys//var/tmp/from_scwrl_416208391_a.pdb.gz for input Trying /var/tmp/from_scwrl_416208391_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_416208391_a.pdb or /var/tmp/from_scwrl_416208391_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_416208391.pdb or /var/tmp/from_scwrl_416208391_b.pdb or /var/tmp/from_scwrl_416208391_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: atoms too close: (T0327)N76.CA and (T0327)K87.CA only 0.000 apart, marking (T0327)K87.CA as missing WARNING: atoms too close: (T0327)G77.CA and (T0327)E88.CA only 0.000 apart, marking (T0327)E88.CA as missing # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2040639403.pdb -s /var/tmp/to_scwrl_2040639403.seq -o /var/tmp/from_scwrl_2040639403.pdb > /var/tmp/scwrl_2040639403.log sh: /var/tmp/scwrl_2040639403.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2040639403.pdb or /var/tmp/from_scwrl_2040639403.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2040639403_b.pdb or decoys//var/tmp/from_scwrl_2040639403_b.pdb.gz for input Trying /var/tmp/from_scwrl_2040639403_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2040639403_b.pdb or /var/tmp/from_scwrl_2040639403_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2040639403_a.pdb or decoys//var/tmp/from_scwrl_2040639403_a.pdb.gz for input Trying /var/tmp/from_scwrl_2040639403_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2040639403_a.pdb or /var/tmp/from_scwrl_2040639403_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2040639403.pdb or /var/tmp/from_scwrl_2040639403_b.pdb or /var/tmp/from_scwrl_2040639403_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_625180001.pdb -s /var/tmp/to_scwrl_625180001.seq -o /var/tmp/from_scwrl_625180001.pdb > /var/tmp/scwrl_625180001.log sh: /var/tmp/scwrl_625180001.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_625180001.pdb or /var/tmp/from_scwrl_625180001.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_625180001_b.pdb or decoys//var/tmp/from_scwrl_625180001_b.pdb.gz for input Trying /var/tmp/from_scwrl_625180001_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_625180001_b.pdb or /var/tmp/from_scwrl_625180001_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_625180001_a.pdb or decoys//var/tmp/from_scwrl_625180001_a.pdb.gz for input Trying /var/tmp/from_scwrl_625180001_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_625180001_a.pdb or /var/tmp/from_scwrl_625180001_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_625180001.pdb or /var/tmp/from_scwrl_625180001_b.pdb or /var/tmp/from_scwrl_625180001_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_530770749.pdb -s /var/tmp/to_scwrl_530770749.seq -o /var/tmp/from_scwrl_530770749.pdb > /var/tmp/scwrl_530770749.log sh: /var/tmp/scwrl_530770749.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_530770749.pdb or /var/tmp/from_scwrl_530770749.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_530770749_b.pdb or decoys//var/tmp/from_scwrl_530770749_b.pdb.gz for input Trying /var/tmp/from_scwrl_530770749_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_530770749_b.pdb or /var/tmp/from_scwrl_530770749_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_530770749_a.pdb or decoys//var/tmp/from_scwrl_530770749_a.pdb.gz for input Trying /var/tmp/from_scwrl_530770749_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_530770749_a.pdb or /var/tmp/from_scwrl_530770749_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_530770749.pdb or /var/tmp/from_scwrl_530770749_b.pdb or /var/tmp/from_scwrl_530770749_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_689002870.pdb -s /var/tmp/to_scwrl_689002870.seq -o /var/tmp/from_scwrl_689002870.pdb > /var/tmp/scwrl_689002870.log sh: /var/tmp/scwrl_689002870.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_689002870.pdb or /var/tmp/from_scwrl_689002870.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_689002870_b.pdb or decoys//var/tmp/from_scwrl_689002870_b.pdb.gz for input Trying /var/tmp/from_scwrl_689002870_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_689002870_b.pdb or /var/tmp/from_scwrl_689002870_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_689002870_a.pdb or decoys//var/tmp/from_scwrl_689002870_a.pdb.gz for input Trying /var/tmp/from_scwrl_689002870_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_689002870_a.pdb or /var/tmp/from_scwrl_689002870_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_689002870.pdb or /var/tmp/from_scwrl_689002870_b.pdb or /var/tmp/from_scwrl_689002870_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 Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 172, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 226, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1411710698.pdb -s /var/tmp/to_scwrl_1411710698.seq -o /var/tmp/from_scwrl_1411710698.pdb > /var/tmp/scwrl_1411710698.log sh: /var/tmp/scwrl_1411710698.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1411710698.pdb or /var/tmp/from_scwrl_1411710698.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1411710698_b.pdb or decoys//var/tmp/from_scwrl_1411710698_b.pdb.gz for input Trying /var/tmp/from_scwrl_1411710698_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1411710698_b.pdb or /var/tmp/from_scwrl_1411710698_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1411710698_a.pdb or decoys//var/tmp/from_scwrl_1411710698_a.pdb.gz for input Trying /var/tmp/from_scwrl_1411710698_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1411710698_a.pdb or /var/tmp/from_scwrl_1411710698_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1411710698.pdb or /var/tmp/from_scwrl_1411710698_b.pdb or /var/tmp/from_scwrl_1411710698_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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1588366397.pdb -s /var/tmp/to_scwrl_1588366397.seq -o /var/tmp/from_scwrl_1588366397.pdb > /var/tmp/scwrl_1588366397.log sh: /var/tmp/scwrl_1588366397.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1588366397.pdb or /var/tmp/from_scwrl_1588366397.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1588366397_b.pdb or decoys//var/tmp/from_scwrl_1588366397_b.pdb.gz for input Trying /var/tmp/from_scwrl_1588366397_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1588366397_b.pdb or /var/tmp/from_scwrl_1588366397_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1588366397_a.pdb or decoys//var/tmp/from_scwrl_1588366397_a.pdb.gz for input Trying /var/tmp/from_scwrl_1588366397_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1588366397_a.pdb or /var/tmp/from_scwrl_1588366397_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1588366397.pdb or /var/tmp/from_scwrl_1588366397_b.pdb or /var/tmp/from_scwrl_1588366397_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 72 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1673355188.pdb -s /var/tmp/to_scwrl_1673355188.seq -o /var/tmp/from_scwrl_1673355188.pdb > /var/tmp/scwrl_1673355188.log sh: /var/tmp/scwrl_1673355188.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1673355188.pdb or /var/tmp/from_scwrl_1673355188.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1673355188_b.pdb or decoys//var/tmp/from_scwrl_1673355188_b.pdb.gz for input Trying /var/tmp/from_scwrl_1673355188_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1673355188_b.pdb or /var/tmp/from_scwrl_1673355188_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1673355188_a.pdb or decoys//var/tmp/from_scwrl_1673355188_a.pdb.gz for input Trying /var/tmp/from_scwrl_1673355188_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1673355188_a.pdb or /var/tmp/from_scwrl_1673355188_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1673355188.pdb or /var/tmp/from_scwrl_1673355188_b.pdb or /var/tmp/from_scwrl_1673355188_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 64 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_894468577.pdb -s /var/tmp/to_scwrl_894468577.seq -o /var/tmp/from_scwrl_894468577.pdb > /var/tmp/scwrl_894468577.log sh: /var/tmp/scwrl_894468577.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_894468577.pdb or /var/tmp/from_scwrl_894468577.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894468577_b.pdb or decoys//var/tmp/from_scwrl_894468577_b.pdb.gz for input Trying /var/tmp/from_scwrl_894468577_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_894468577_b.pdb or /var/tmp/from_scwrl_894468577_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894468577_a.pdb or decoys//var/tmp/from_scwrl_894468577_a.pdb.gz for input Trying /var/tmp/from_scwrl_894468577_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_894468577_a.pdb or /var/tmp/from_scwrl_894468577_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_894468577.pdb or /var/tmp/from_scwrl_894468577_b.pdb or /var/tmp/from_scwrl_894468577_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 79 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1927448664.pdb -s /var/tmp/to_scwrl_1927448664.seq -o /var/tmp/from_scwrl_1927448664.pdb > /var/tmp/scwrl_1927448664.log sh: /var/tmp/scwrl_1927448664.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1927448664.pdb or /var/tmp/from_scwrl_1927448664.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1927448664_b.pdb or decoys//var/tmp/from_scwrl_1927448664_b.pdb.gz for input Trying /var/tmp/from_scwrl_1927448664_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1927448664_b.pdb or /var/tmp/from_scwrl_1927448664_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1927448664_a.pdb or decoys//var/tmp/from_scwrl_1927448664_a.pdb.gz for input Trying /var/tmp/from_scwrl_1927448664_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1927448664_a.pdb or /var/tmp/from_scwrl_1927448664_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1927448664.pdb or /var/tmp/from_scwrl_1927448664_b.pdb or /var/tmp/from_scwrl_1927448664_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 73 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1729946030.pdb -s /var/tmp/to_scwrl_1729946030.seq -o /var/tmp/from_scwrl_1729946030.pdb > /var/tmp/scwrl_1729946030.log sh: /var/tmp/scwrl_1729946030.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1729946030.pdb or /var/tmp/from_scwrl_1729946030.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1729946030_b.pdb or decoys//var/tmp/from_scwrl_1729946030_b.pdb.gz for input Trying /var/tmp/from_scwrl_1729946030_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1729946030_b.pdb or /var/tmp/from_scwrl_1729946030_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1729946030_a.pdb or decoys//var/tmp/from_scwrl_1729946030_a.pdb.gz for input Trying /var/tmp/from_scwrl_1729946030_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1729946030_a.pdb or /var/tmp/from_scwrl_1729946030_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1729946030.pdb or /var/tmp/from_scwrl_1729946030_b.pdb or /var/tmp/from_scwrl_1729946030_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 64 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1184797761.pdb -s /var/tmp/to_scwrl_1184797761.seq -o /var/tmp/from_scwrl_1184797761.pdb > /var/tmp/scwrl_1184797761.log sh: /var/tmp/scwrl_1184797761.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1184797761.pdb or /var/tmp/from_scwrl_1184797761.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1184797761_b.pdb or decoys//var/tmp/from_scwrl_1184797761_b.pdb.gz for input Trying /var/tmp/from_scwrl_1184797761_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1184797761_b.pdb or /var/tmp/from_scwrl_1184797761_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1184797761_a.pdb or decoys//var/tmp/from_scwrl_1184797761_a.pdb.gz for input Trying /var/tmp/from_scwrl_1184797761_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1184797761_a.pdb or /var/tmp/from_scwrl_1184797761_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1184797761.pdb or /var/tmp/from_scwrl_1184797761_b.pdb or /var/tmp/from_scwrl_1184797761_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 101 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_764534340.pdb -s /var/tmp/to_scwrl_764534340.seq -o /var/tmp/from_scwrl_764534340.pdb > /var/tmp/scwrl_764534340.log sh: /var/tmp/scwrl_764534340.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_764534340.pdb or /var/tmp/from_scwrl_764534340.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_764534340_b.pdb or decoys//var/tmp/from_scwrl_764534340_b.pdb.gz for input Trying /var/tmp/from_scwrl_764534340_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_764534340_b.pdb or /var/tmp/from_scwrl_764534340_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_764534340_a.pdb or decoys//var/tmp/from_scwrl_764534340_a.pdb.gz for input Trying /var/tmp/from_scwrl_764534340_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_764534340_a.pdb or /var/tmp/from_scwrl_764534340_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_764534340.pdb or /var/tmp/from_scwrl_764534340_b.pdb or /var/tmp/from_scwrl_764534340_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 T0327 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_726881612.pdb -s /var/tmp/to_scwrl_726881612.seq -o /var/tmp/from_scwrl_726881612.pdb > /var/tmp/scwrl_726881612.log sh: /var/tmp/scwrl_726881612.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_726881612.pdb or /var/tmp/from_scwrl_726881612.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726881612_b.pdb or decoys//var/tmp/from_scwrl_726881612_b.pdb.gz for input Trying /var/tmp/from_scwrl_726881612_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_726881612_b.pdb or /var/tmp/from_scwrl_726881612_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726881612_a.pdb or decoys//var/tmp/from_scwrl_726881612_a.pdb.gz for input Trying /var/tmp/from_scwrl_726881612_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_726881612_a.pdb or /var/tmp/from_scwrl_726881612_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_726881612.pdb or /var/tmp/from_scwrl_726881612_b.pdb or /var/tmp/from_scwrl_726881612_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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_59998001.pdb -s /var/tmp/to_scwrl_59998001.seq -o /var/tmp/from_scwrl_59998001.pdb > /var/tmp/scwrl_59998001.log sh: /var/tmp/scwrl_59998001.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_59998001.pdb or /var/tmp/from_scwrl_59998001.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_59998001_b.pdb or decoys//var/tmp/from_scwrl_59998001_b.pdb.gz for input Trying /var/tmp/from_scwrl_59998001_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_59998001_b.pdb or /var/tmp/from_scwrl_59998001_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_59998001_a.pdb or decoys//var/tmp/from_scwrl_59998001_a.pdb.gz for input Trying /var/tmp/from_scwrl_59998001_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_59998001_a.pdb or /var/tmp/from_scwrl_59998001_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_59998001.pdb or /var/tmp/from_scwrl_59998001_b.pdb or /var/tmp/from_scwrl_59998001_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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2106867423.pdb -s /var/tmp/to_scwrl_2106867423.seq -o /var/tmp/from_scwrl_2106867423.pdb > /var/tmp/scwrl_2106867423.log sh: /var/tmp/scwrl_2106867423.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2106867423.pdb or /var/tmp/from_scwrl_2106867423.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106867423_b.pdb or decoys//var/tmp/from_scwrl_2106867423_b.pdb.gz for input Trying /var/tmp/from_scwrl_2106867423_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106867423_b.pdb or /var/tmp/from_scwrl_2106867423_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106867423_a.pdb or decoys//var/tmp/from_scwrl_2106867423_a.pdb.gz for input Trying /var/tmp/from_scwrl_2106867423_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106867423_a.pdb or /var/tmp/from_scwrl_2106867423_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2106867423.pdb or /var/tmp/from_scwrl_2106867423_b.pdb or /var/tmp/from_scwrl_2106867423_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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1961353241.pdb -s /var/tmp/to_scwrl_1961353241.seq -o /var/tmp/from_scwrl_1961353241.pdb > /var/tmp/scwrl_1961353241.log sh: /var/tmp/scwrl_1961353241.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1961353241.pdb or /var/tmp/from_scwrl_1961353241.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1961353241_b.pdb or decoys//var/tmp/from_scwrl_1961353241_b.pdb.gz for input Trying /var/tmp/from_scwrl_1961353241_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1961353241_b.pdb or /var/tmp/from_scwrl_1961353241_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1961353241_a.pdb or decoys//var/tmp/from_scwrl_1961353241_a.pdb.gz for input Trying /var/tmp/from_scwrl_1961353241_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1961353241_a.pdb or /var/tmp/from_scwrl_1961353241_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1961353241.pdb or /var/tmp/from_scwrl_1961353241_b.pdb or /var/tmp/from_scwrl_1961353241_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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_820008322.pdb -s /var/tmp/to_scwrl_820008322.seq -o /var/tmp/from_scwrl_820008322.pdb > /var/tmp/scwrl_820008322.log sh: /var/tmp/scwrl_820008322.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_820008322.pdb or /var/tmp/from_scwrl_820008322.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_820008322_b.pdb or decoys//var/tmp/from_scwrl_820008322_b.pdb.gz for input Trying /var/tmp/from_scwrl_820008322_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_820008322_b.pdb or /var/tmp/from_scwrl_820008322_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_820008322_a.pdb or decoys//var/tmp/from_scwrl_820008322_a.pdb.gz for input Trying /var/tmp/from_scwrl_820008322_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_820008322_a.pdb or /var/tmp/from_scwrl_820008322_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_820008322.pdb or /var/tmp/from_scwrl_820008322_b.pdb or /var/tmp/from_scwrl_820008322_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 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1547945337.pdb -s /var/tmp/to_scwrl_1547945337.seq -o /var/tmp/from_scwrl_1547945337.pdb > /var/tmp/scwrl_1547945337.log sh: /var/tmp/scwrl_1547945337.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1547945337.pdb or /var/tmp/from_scwrl_1547945337.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1547945337_b.pdb or decoys//var/tmp/from_scwrl_1547945337_b.pdb.gz for input Trying /var/tmp/from_scwrl_1547945337_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1547945337_b.pdb or /var/tmp/from_scwrl_1547945337_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1547945337_a.pdb or decoys//var/tmp/from_scwrl_1547945337_a.pdb.gz for input Trying /var/tmp/from_scwrl_1547945337_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1547945337_a.pdb or /var/tmp/from_scwrl_1547945337_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1547945337.pdb or /var/tmp/from_scwrl_1547945337_b.pdb or /var/tmp/from_scwrl_1547945337_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 T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_270954134.pdb -s /var/tmp/to_scwrl_270954134.seq -o /var/tmp/from_scwrl_270954134.pdb > /var/tmp/scwrl_270954134.log sh: /var/tmp/scwrl_270954134.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_270954134.pdb or /var/tmp/from_scwrl_270954134.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_270954134_b.pdb or decoys//var/tmp/from_scwrl_270954134_b.pdb.gz for input Trying /var/tmp/from_scwrl_270954134_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_270954134_b.pdb or /var/tmp/from_scwrl_270954134_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_270954134_a.pdb or decoys//var/tmp/from_scwrl_270954134_a.pdb.gz for input Trying /var/tmp/from_scwrl_270954134_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_270954134_a.pdb or /var/tmp/from_scwrl_270954134_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_270954134.pdb or /var/tmp/from_scwrl_270954134_b.pdb or /var/tmp/from_scwrl_270954134_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 T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_752509317.pdb -s /var/tmp/to_scwrl_752509317.seq -o /var/tmp/from_scwrl_752509317.pdb > /var/tmp/scwrl_752509317.log sh: /var/tmp/scwrl_752509317.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_752509317.pdb or /var/tmp/from_scwrl_752509317.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_752509317_b.pdb or decoys//var/tmp/from_scwrl_752509317_b.pdb.gz for input Trying /var/tmp/from_scwrl_752509317_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_752509317_b.pdb or /var/tmp/from_scwrl_752509317_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_752509317_a.pdb or decoys//var/tmp/from_scwrl_752509317_a.pdb.gz for input Trying /var/tmp/from_scwrl_752509317_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_752509317_a.pdb or /var/tmp/from_scwrl_752509317_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_752509317.pdb or /var/tmp/from_scwrl_752509317_b.pdb or /var/tmp/from_scwrl_752509317_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL2-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 92 ; scwrl3 -i /var/tmp/to_scwrl_550799113.pdb -s /var/tmp/to_scwrl_550799113.seq -o /var/tmp/from_scwrl_550799113.pdb > /var/tmp/scwrl_550799113.log sh: /var/tmp/scwrl_550799113.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_550799113.pdb or /var/tmp/from_scwrl_550799113.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_550799113_b.pdb or decoys//var/tmp/from_scwrl_550799113_b.pdb.gz for input Trying /var/tmp/from_scwrl_550799113_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_550799113_b.pdb or /var/tmp/from_scwrl_550799113_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_550799113_a.pdb or decoys//var/tmp/from_scwrl_550799113_a.pdb.gz for input Trying /var/tmp/from_scwrl_550799113_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_550799113_a.pdb or /var/tmp/from_scwrl_550799113_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_550799113.pdb or /var/tmp/from_scwrl_550799113_b.pdb or /var/tmp/from_scwrl_550799113_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1445148295.pdb -s /var/tmp/to_scwrl_1445148295.seq -o /var/tmp/from_scwrl_1445148295.pdb > /var/tmp/scwrl_1445148295.log sh: /var/tmp/scwrl_1445148295.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1445148295.pdb or /var/tmp/from_scwrl_1445148295.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1445148295_b.pdb or decoys//var/tmp/from_scwrl_1445148295_b.pdb.gz for input Trying /var/tmp/from_scwrl_1445148295_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1445148295_b.pdb or /var/tmp/from_scwrl_1445148295_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1445148295_a.pdb or decoys//var/tmp/from_scwrl_1445148295_a.pdb.gz for input Trying /var/tmp/from_scwrl_1445148295_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1445148295_a.pdb or /var/tmp/from_scwrl_1445148295_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1445148295.pdb or /var/tmp/from_scwrl_1445148295_b.pdb or /var/tmp/from_scwrl_1445148295_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1871650063.pdb -s /var/tmp/to_scwrl_1871650063.seq -o /var/tmp/from_scwrl_1871650063.pdb > /var/tmp/scwrl_1871650063.log sh: /var/tmp/scwrl_1871650063.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1871650063.pdb or /var/tmp/from_scwrl_1871650063.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1871650063_b.pdb or decoys//var/tmp/from_scwrl_1871650063_b.pdb.gz for input Trying /var/tmp/from_scwrl_1871650063_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1871650063_b.pdb or /var/tmp/from_scwrl_1871650063_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1871650063_a.pdb or decoys//var/tmp/from_scwrl_1871650063_a.pdb.gz for input Trying /var/tmp/from_scwrl_1871650063_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1871650063_a.pdb or /var/tmp/from_scwrl_1871650063_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1871650063.pdb or /var/tmp/from_scwrl_1871650063_b.pdb or /var/tmp/from_scwrl_1871650063_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 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_57255348.pdb -s /var/tmp/to_scwrl_57255348.seq -o /var/tmp/from_scwrl_57255348.pdb > /var/tmp/scwrl_57255348.log sh: /var/tmp/scwrl_57255348.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_57255348.pdb or /var/tmp/from_scwrl_57255348.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_57255348_b.pdb or decoys//var/tmp/from_scwrl_57255348_b.pdb.gz for input Trying /var/tmp/from_scwrl_57255348_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_57255348_b.pdb or /var/tmp/from_scwrl_57255348_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_57255348_a.pdb or decoys//var/tmp/from_scwrl_57255348_a.pdb.gz for input Trying /var/tmp/from_scwrl_57255348_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_57255348_a.pdb or /var/tmp/from_scwrl_57255348_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_57255348.pdb or /var/tmp/from_scwrl_57255348_b.pdb or /var/tmp/from_scwrl_57255348_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1542796630.pdb -s /var/tmp/to_scwrl_1542796630.seq -o /var/tmp/from_scwrl_1542796630.pdb > /var/tmp/scwrl_1542796630.log sh: /var/tmp/scwrl_1542796630.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1542796630.pdb or /var/tmp/from_scwrl_1542796630.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1542796630_b.pdb or decoys//var/tmp/from_scwrl_1542796630_b.pdb.gz for input Trying /var/tmp/from_scwrl_1542796630_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1542796630_b.pdb or /var/tmp/from_scwrl_1542796630_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1542796630_a.pdb or decoys//var/tmp/from_scwrl_1542796630_a.pdb.gz for input Trying /var/tmp/from_scwrl_1542796630_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1542796630_a.pdb or /var/tmp/from_scwrl_1542796630_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1542796630.pdb or /var/tmp/from_scwrl_1542796630_b.pdb or /var/tmp/from_scwrl_1542796630_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1056698478.pdb -s /var/tmp/to_scwrl_1056698478.seq -o /var/tmp/from_scwrl_1056698478.pdb > /var/tmp/scwrl_1056698478.log sh: /var/tmp/scwrl_1056698478.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1056698478.pdb or /var/tmp/from_scwrl_1056698478.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1056698478_b.pdb or decoys//var/tmp/from_scwrl_1056698478_b.pdb.gz for input Trying /var/tmp/from_scwrl_1056698478_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1056698478_b.pdb or /var/tmp/from_scwrl_1056698478_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1056698478_a.pdb or decoys//var/tmp/from_scwrl_1056698478_a.pdb.gz for input Trying /var/tmp/from_scwrl_1056698478_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1056698478_a.pdb or /var/tmp/from_scwrl_1056698478_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1056698478.pdb or /var/tmp/from_scwrl_1056698478_b.pdb or /var/tmp/from_scwrl_1056698478_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 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1450279423.pdb -s /var/tmp/to_scwrl_1450279423.seq -o /var/tmp/from_scwrl_1450279423.pdb > /var/tmp/scwrl_1450279423.log sh: /var/tmp/scwrl_1450279423.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1450279423.pdb or /var/tmp/from_scwrl_1450279423.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1450279423_b.pdb or decoys//var/tmp/from_scwrl_1450279423_b.pdb.gz for input Trying /var/tmp/from_scwrl_1450279423_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1450279423_b.pdb or /var/tmp/from_scwrl_1450279423_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1450279423_a.pdb or decoys//var/tmp/from_scwrl_1450279423_a.pdb.gz for input Trying /var/tmp/from_scwrl_1450279423_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1450279423_a.pdb or /var/tmp/from_scwrl_1450279423_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1450279423.pdb or /var/tmp/from_scwrl_1450279423_b.pdb or /var/tmp/from_scwrl_1450279423_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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1120679270.pdb -s /var/tmp/to_scwrl_1120679270.seq -o /var/tmp/from_scwrl_1120679270.pdb > /var/tmp/scwrl_1120679270.log sh: /var/tmp/scwrl_1120679270.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1120679270.pdb or /var/tmp/from_scwrl_1120679270.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1120679270_b.pdb or decoys//var/tmp/from_scwrl_1120679270_b.pdb.gz for input Trying /var/tmp/from_scwrl_1120679270_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1120679270_b.pdb or /var/tmp/from_scwrl_1120679270_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1120679270_a.pdb or decoys//var/tmp/from_scwrl_1120679270_a.pdb.gz for input Trying /var/tmp/from_scwrl_1120679270_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1120679270_a.pdb or /var/tmp/from_scwrl_1120679270_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1120679270.pdb or /var/tmp/from_scwrl_1120679270_b.pdb or /var/tmp/from_scwrl_1120679270_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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1456846216.pdb -s /var/tmp/to_scwrl_1456846216.seq -o /var/tmp/from_scwrl_1456846216.pdb > /var/tmp/scwrl_1456846216.log sh: /var/tmp/scwrl_1456846216.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1456846216.pdb or /var/tmp/from_scwrl_1456846216.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1456846216_b.pdb or decoys//var/tmp/from_scwrl_1456846216_b.pdb.gz for input Trying /var/tmp/from_scwrl_1456846216_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1456846216_b.pdb or /var/tmp/from_scwrl_1456846216_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1456846216_a.pdb or decoys//var/tmp/from_scwrl_1456846216_a.pdb.gz for input Trying /var/tmp/from_scwrl_1456846216_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1456846216_a.pdb or /var/tmp/from_scwrl_1456846216_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1456846216.pdb or /var/tmp/from_scwrl_1456846216_b.pdb or /var/tmp/from_scwrl_1456846216_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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_482695061.pdb -s /var/tmp/to_scwrl_482695061.seq -o /var/tmp/from_scwrl_482695061.pdb > /var/tmp/scwrl_482695061.log sh: /var/tmp/scwrl_482695061.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_482695061.pdb or /var/tmp/from_scwrl_482695061.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_482695061_b.pdb or decoys//var/tmp/from_scwrl_482695061_b.pdb.gz for input Trying /var/tmp/from_scwrl_482695061_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_482695061_b.pdb or /var/tmp/from_scwrl_482695061_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_482695061_a.pdb or decoys//var/tmp/from_scwrl_482695061_a.pdb.gz for input Trying /var/tmp/from_scwrl_482695061_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_482695061_a.pdb or /var/tmp/from_scwrl_482695061_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_482695061.pdb or /var/tmp/from_scwrl_482695061_b.pdb or /var/tmp/from_scwrl_482695061_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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1536887661.pdb -s /var/tmp/to_scwrl_1536887661.seq -o /var/tmp/from_scwrl_1536887661.pdb > /var/tmp/scwrl_1536887661.log sh: /var/tmp/scwrl_1536887661.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1536887661.pdb or /var/tmp/from_scwrl_1536887661.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1536887661_b.pdb or decoys//var/tmp/from_scwrl_1536887661_b.pdb.gz for input Trying /var/tmp/from_scwrl_1536887661_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1536887661_b.pdb or /var/tmp/from_scwrl_1536887661_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1536887661_a.pdb or decoys//var/tmp/from_scwrl_1536887661_a.pdb.gz for input Trying /var/tmp/from_scwrl_1536887661_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1536887661_a.pdb or /var/tmp/from_scwrl_1536887661_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1536887661.pdb or /var/tmp/from_scwrl_1536887661_b.pdb or /var/tmp/from_scwrl_1536887661_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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1350001972.pdb -s /var/tmp/to_scwrl_1350001972.seq -o /var/tmp/from_scwrl_1350001972.pdb > /var/tmp/scwrl_1350001972.log sh: /var/tmp/scwrl_1350001972.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1350001972.pdb or /var/tmp/from_scwrl_1350001972.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350001972_b.pdb or decoys//var/tmp/from_scwrl_1350001972_b.pdb.gz for input Trying /var/tmp/from_scwrl_1350001972_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350001972_b.pdb or /var/tmp/from_scwrl_1350001972_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350001972_a.pdb or decoys//var/tmp/from_scwrl_1350001972_a.pdb.gz for input Trying /var/tmp/from_scwrl_1350001972_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350001972_a.pdb or /var/tmp/from_scwrl_1350001972_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1350001972.pdb or /var/tmp/from_scwrl_1350001972_b.pdb or /var/tmp/from_scwrl_1350001972_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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1107875061.pdb -s /var/tmp/to_scwrl_1107875061.seq -o /var/tmp/from_scwrl_1107875061.pdb > /var/tmp/scwrl_1107875061.log sh: /var/tmp/scwrl_1107875061.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1107875061.pdb or /var/tmp/from_scwrl_1107875061.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1107875061_b.pdb or decoys//var/tmp/from_scwrl_1107875061_b.pdb.gz for input Trying /var/tmp/from_scwrl_1107875061_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1107875061_b.pdb or /var/tmp/from_scwrl_1107875061_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1107875061_a.pdb or decoys//var/tmp/from_scwrl_1107875061_a.pdb.gz for input Trying /var/tmp/from_scwrl_1107875061_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1107875061_a.pdb or /var/tmp/from_scwrl_1107875061_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1107875061.pdb or /var/tmp/from_scwrl_1107875061_b.pdb or /var/tmp/from_scwrl_1107875061_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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2067658410.pdb -s /var/tmp/to_scwrl_2067658410.seq -o /var/tmp/from_scwrl_2067658410.pdb > /var/tmp/scwrl_2067658410.log sh: /var/tmp/scwrl_2067658410.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2067658410.pdb or /var/tmp/from_scwrl_2067658410.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2067658410_b.pdb or decoys//var/tmp/from_scwrl_2067658410_b.pdb.gz for input Trying /var/tmp/from_scwrl_2067658410_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2067658410_b.pdb or /var/tmp/from_scwrl_2067658410_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2067658410_a.pdb or decoys//var/tmp/from_scwrl_2067658410_a.pdb.gz for input Trying /var/tmp/from_scwrl_2067658410_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2067658410_a.pdb or /var/tmp/from_scwrl_2067658410_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2067658410.pdb or /var/tmp/from_scwrl_2067658410_b.pdb or /var/tmp/from_scwrl_2067658410_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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2039004842.pdb -s /var/tmp/to_scwrl_2039004842.seq -o /var/tmp/from_scwrl_2039004842.pdb > /var/tmp/scwrl_2039004842.log sh: /var/tmp/scwrl_2039004842.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2039004842.pdb or /var/tmp/from_scwrl_2039004842.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2039004842_b.pdb or decoys//var/tmp/from_scwrl_2039004842_b.pdb.gz for input Trying /var/tmp/from_scwrl_2039004842_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2039004842_b.pdb or /var/tmp/from_scwrl_2039004842_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2039004842_a.pdb or decoys//var/tmp/from_scwrl_2039004842_a.pdb.gz for input Trying /var/tmp/from_scwrl_2039004842_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2039004842_a.pdb or /var/tmp/from_scwrl_2039004842_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2039004842.pdb or /var/tmp/from_scwrl_2039004842_b.pdb or /var/tmp/from_scwrl_2039004842_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_372102113.pdb -s /var/tmp/to_scwrl_372102113.seq -o /var/tmp/from_scwrl_372102113.pdb > /var/tmp/scwrl_372102113.log sh: /var/tmp/scwrl_372102113.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_372102113.pdb or /var/tmp/from_scwrl_372102113.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_372102113_b.pdb or decoys//var/tmp/from_scwrl_372102113_b.pdb.gz for input Trying /var/tmp/from_scwrl_372102113_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_372102113_b.pdb or /var/tmp/from_scwrl_372102113_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_372102113_a.pdb or decoys//var/tmp/from_scwrl_372102113_a.pdb.gz for input Trying /var/tmp/from_scwrl_372102113_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_372102113_a.pdb or /var/tmp/from_scwrl_372102113_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_372102113.pdb or /var/tmp/from_scwrl_372102113_b.pdb or /var/tmp/from_scwrl_372102113_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1508541161.pdb -s /var/tmp/to_scwrl_1508541161.seq -o /var/tmp/from_scwrl_1508541161.pdb > /var/tmp/scwrl_1508541161.log sh: /var/tmp/scwrl_1508541161.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1508541161.pdb or /var/tmp/from_scwrl_1508541161.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1508541161_b.pdb or decoys//var/tmp/from_scwrl_1508541161_b.pdb.gz for input Trying /var/tmp/from_scwrl_1508541161_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1508541161_b.pdb or /var/tmp/from_scwrl_1508541161_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1508541161_a.pdb or decoys//var/tmp/from_scwrl_1508541161_a.pdb.gz for input Trying /var/tmp/from_scwrl_1508541161_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1508541161_a.pdb or /var/tmp/from_scwrl_1508541161_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1508541161.pdb or /var/tmp/from_scwrl_1508541161_b.pdb or /var/tmp/from_scwrl_1508541161_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1564876383.pdb -s /var/tmp/to_scwrl_1564876383.seq -o /var/tmp/from_scwrl_1564876383.pdb > /var/tmp/scwrl_1564876383.log sh: /var/tmp/scwrl_1564876383.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1564876383.pdb or /var/tmp/from_scwrl_1564876383.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1564876383_b.pdb or decoys//var/tmp/from_scwrl_1564876383_b.pdb.gz for input Trying /var/tmp/from_scwrl_1564876383_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1564876383_b.pdb or /var/tmp/from_scwrl_1564876383_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1564876383_a.pdb or decoys//var/tmp/from_scwrl_1564876383_a.pdb.gz for input Trying /var/tmp/from_scwrl_1564876383_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1564876383_a.pdb or /var/tmp/from_scwrl_1564876383_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1564876383.pdb or /var/tmp/from_scwrl_1564876383_b.pdb or /var/tmp/from_scwrl_1564876383_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 92 ; scwrl3 -i /var/tmp/to_scwrl_1266570690.pdb -s /var/tmp/to_scwrl_1266570690.seq -o /var/tmp/from_scwrl_1266570690.pdb > /var/tmp/scwrl_1266570690.log sh: /var/tmp/scwrl_1266570690.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1266570690.pdb or /var/tmp/from_scwrl_1266570690.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1266570690_b.pdb or decoys//var/tmp/from_scwrl_1266570690_b.pdb.gz for input Trying /var/tmp/from_scwrl_1266570690_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1266570690_b.pdb or /var/tmp/from_scwrl_1266570690_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1266570690_a.pdb or decoys//var/tmp/from_scwrl_1266570690_a.pdb.gz for input Trying /var/tmp/from_scwrl_1266570690_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1266570690_a.pdb or /var/tmp/from_scwrl_1266570690_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1266570690.pdb or /var/tmp/from_scwrl_1266570690_b.pdb or /var/tmp/from_scwrl_1266570690_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 19 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1288506178.pdb -s /var/tmp/to_scwrl_1288506178.seq -o /var/tmp/from_scwrl_1288506178.pdb > /var/tmp/scwrl_1288506178.log sh: /var/tmp/scwrl_1288506178.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1288506178.pdb or /var/tmp/from_scwrl_1288506178.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1288506178_b.pdb or decoys//var/tmp/from_scwrl_1288506178_b.pdb.gz for input Trying /var/tmp/from_scwrl_1288506178_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1288506178_b.pdb or /var/tmp/from_scwrl_1288506178_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1288506178_a.pdb or decoys//var/tmp/from_scwrl_1288506178_a.pdb.gz for input Trying /var/tmp/from_scwrl_1288506178_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1288506178_a.pdb or /var/tmp/from_scwrl_1288506178_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1288506178.pdb or /var/tmp/from_scwrl_1288506178_b.pdb or /var/tmp/from_scwrl_1288506178_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 T0327 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1147338767.pdb -s /var/tmp/to_scwrl_1147338767.seq -o /var/tmp/from_scwrl_1147338767.pdb > /var/tmp/scwrl_1147338767.log sh: /var/tmp/scwrl_1147338767.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1147338767.pdb or /var/tmp/from_scwrl_1147338767.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1147338767_b.pdb or decoys//var/tmp/from_scwrl_1147338767_b.pdb.gz for input Trying /var/tmp/from_scwrl_1147338767_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1147338767_b.pdb or /var/tmp/from_scwrl_1147338767_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1147338767_a.pdb or decoys//var/tmp/from_scwrl_1147338767_a.pdb.gz for input Trying /var/tmp/from_scwrl_1147338767_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1147338767_a.pdb or /var/tmp/from_scwrl_1147338767_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1147338767.pdb or /var/tmp/from_scwrl_1147338767_b.pdb or /var/tmp/from_scwrl_1147338767_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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_303884805.pdb -s /var/tmp/to_scwrl_303884805.seq -o /var/tmp/from_scwrl_303884805.pdb > /var/tmp/scwrl_303884805.log sh: /var/tmp/scwrl_303884805.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_303884805.pdb or /var/tmp/from_scwrl_303884805.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_303884805_b.pdb or decoys//var/tmp/from_scwrl_303884805_b.pdb.gz for input Trying /var/tmp/from_scwrl_303884805_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_303884805_b.pdb or /var/tmp/from_scwrl_303884805_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_303884805_a.pdb or decoys//var/tmp/from_scwrl_303884805_a.pdb.gz for input Trying /var/tmp/from_scwrl_303884805_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_303884805_a.pdb or /var/tmp/from_scwrl_303884805_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_303884805.pdb or /var/tmp/from_scwrl_303884805_b.pdb or /var/tmp/from_scwrl_303884805_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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2053040519.pdb -s /var/tmp/to_scwrl_2053040519.seq -o /var/tmp/from_scwrl_2053040519.pdb > /var/tmp/scwrl_2053040519.log sh: /var/tmp/scwrl_2053040519.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2053040519.pdb or /var/tmp/from_scwrl_2053040519.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2053040519_b.pdb or decoys//var/tmp/from_scwrl_2053040519_b.pdb.gz for input Trying /var/tmp/from_scwrl_2053040519_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2053040519_b.pdb or /var/tmp/from_scwrl_2053040519_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2053040519_a.pdb or decoys//var/tmp/from_scwrl_2053040519_a.pdb.gz for input Trying /var/tmp/from_scwrl_2053040519_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2053040519_a.pdb or /var/tmp/from_scwrl_2053040519_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2053040519.pdb or /var/tmp/from_scwrl_2053040519_b.pdb or /var/tmp/from_scwrl_2053040519_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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1874220379.pdb -s /var/tmp/to_scwrl_1874220379.seq -o /var/tmp/from_scwrl_1874220379.pdb > /var/tmp/scwrl_1874220379.log sh: /var/tmp/scwrl_1874220379.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1874220379.pdb or /var/tmp/from_scwrl_1874220379.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1874220379_b.pdb or decoys//var/tmp/from_scwrl_1874220379_b.pdb.gz for input Trying /var/tmp/from_scwrl_1874220379_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1874220379_b.pdb or /var/tmp/from_scwrl_1874220379_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1874220379_a.pdb or decoys//var/tmp/from_scwrl_1874220379_a.pdb.gz for input Trying /var/tmp/from_scwrl_1874220379_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1874220379_a.pdb or /var/tmp/from_scwrl_1874220379_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1874220379.pdb or /var/tmp/from_scwrl_1874220379_b.pdb or /var/tmp/from_scwrl_1874220379_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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_363882806.pdb -s /var/tmp/to_scwrl_363882806.seq -o /var/tmp/from_scwrl_363882806.pdb > /var/tmp/scwrl_363882806.log sh: /var/tmp/scwrl_363882806.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_363882806.pdb or /var/tmp/from_scwrl_363882806.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_363882806_b.pdb or decoys//var/tmp/from_scwrl_363882806_b.pdb.gz for input Trying /var/tmp/from_scwrl_363882806_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_363882806_b.pdb or /var/tmp/from_scwrl_363882806_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_363882806_a.pdb or decoys//var/tmp/from_scwrl_363882806_a.pdb.gz for input Trying /var/tmp/from_scwrl_363882806_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_363882806_a.pdb or /var/tmp/from_scwrl_363882806_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_363882806.pdb or /var/tmp/from_scwrl_363882806_b.pdb or /var/tmp/from_scwrl_363882806_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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2012424295.pdb -s /var/tmp/to_scwrl_2012424295.seq -o /var/tmp/from_scwrl_2012424295.pdb > /var/tmp/scwrl_2012424295.log sh: /var/tmp/scwrl_2012424295.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2012424295.pdb or /var/tmp/from_scwrl_2012424295.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012424295_b.pdb or decoys//var/tmp/from_scwrl_2012424295_b.pdb.gz for input Trying /var/tmp/from_scwrl_2012424295_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012424295_b.pdb or /var/tmp/from_scwrl_2012424295_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012424295_a.pdb or decoys//var/tmp/from_scwrl_2012424295_a.pdb.gz for input Trying /var/tmp/from_scwrl_2012424295_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012424295_a.pdb or /var/tmp/from_scwrl_2012424295_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2012424295.pdb or /var/tmp/from_scwrl_2012424295_b.pdb or /var/tmp/from_scwrl_2012424295_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 T0327 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1688089974.pdb -s /var/tmp/to_scwrl_1688089974.seq -o /var/tmp/from_scwrl_1688089974.pdb > /var/tmp/scwrl_1688089974.log sh: /var/tmp/scwrl_1688089974.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1688089974.pdb or /var/tmp/from_scwrl_1688089974.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1688089974_b.pdb or decoys//var/tmp/from_scwrl_1688089974_b.pdb.gz for input Trying /var/tmp/from_scwrl_1688089974_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1688089974_b.pdb or /var/tmp/from_scwrl_1688089974_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1688089974_a.pdb or decoys//var/tmp/from_scwrl_1688089974_a.pdb.gz for input Trying /var/tmp/from_scwrl_1688089974_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1688089974_a.pdb or /var/tmp/from_scwrl_1688089974_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1688089974.pdb or /var/tmp/from_scwrl_1688089974_b.pdb or /var/tmp/from_scwrl_1688089974_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 T0327 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1183891128.pdb -s /var/tmp/to_scwrl_1183891128.seq -o /var/tmp/from_scwrl_1183891128.pdb > /var/tmp/scwrl_1183891128.log sh: /var/tmp/scwrl_1183891128.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1183891128.pdb or /var/tmp/from_scwrl_1183891128.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1183891128_b.pdb or decoys//var/tmp/from_scwrl_1183891128_b.pdb.gz for input Trying /var/tmp/from_scwrl_1183891128_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1183891128_b.pdb or /var/tmp/from_scwrl_1183891128_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1183891128_a.pdb or decoys//var/tmp/from_scwrl_1183891128_a.pdb.gz for input Trying /var/tmp/from_scwrl_1183891128_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1183891128_a.pdb or /var/tmp/from_scwrl_1183891128_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1183891128.pdb or /var/tmp/from_scwrl_1183891128_b.pdb or /var/tmp/from_scwrl_1183891128_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 28.299 sec, elapsed time= 34.715 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 62.778 real_cost = -14.599 panther2_TS1-scwrl costs 96.188 real_cost = 316.448 nFOLD_TS5-scwrl costs 79.644 real_cost = 149.682 nFOLD_TS4-scwrl costs 71.285 real_cost = 88.466 nFOLD_TS3-scwrl costs 71.261 real_cost = 114.430 nFOLD_TS2-scwrl costs 60.103 real_cost = 82.316 nFOLD_TS1-scwrl costs 64.227 real_cost = 129.916 mGen-3D_TS1-scwrl costs 61.590 real_cost = 135.772 keasar-server_TS5-scwrl costs 66.716 real_cost = 39.133 keasar-server_TS4-scwrl costs 63.759 real_cost = 27.312 keasar-server_TS3-scwrl costs 75.850 real_cost = 42.801 keasar-server_TS2-scwrl costs 97.143 real_cost = 68.425 keasar-server_TS1-scwrl costs 79.196 real_cost = 54.488 karypis.srv_TS5-scwrl costs 79.022 real_cost = 12.445 karypis.srv_TS4-scwrl costs 61.736 real_cost = 26.298 karypis.srv_TS3-scwrl costs 69.743 real_cost = 27.010 karypis.srv_TS2-scwrl costs 90.500 real_cost = -25.313 karypis.srv_TS1-scwrl costs 51.533 real_cost = -26.361 karypis.srv.4_TS5-scwrl costs 155.645 real_cost = 274.626 karypis.srv.4_TS4-scwrl costs 132.684 real_cost = 280.526 karypis.srv.4_TS3-scwrl costs 140.109 real_cost = 269.206 karypis.srv.4_TS2-scwrl costs 148.917 real_cost = 238.011 karypis.srv.4_TS1-scwrl costs 139.307 real_cost = 220.743 karypis.srv.2_TS5-scwrl costs 86.250 real_cost = 65.848 karypis.srv.2_TS4-scwrl costs 88.583 real_cost = 3.348 karypis.srv.2_TS3-scwrl costs 84.767 real_cost = -26.893 karypis.srv.2_TS2-scwrl costs 66.572 real_cost = 7.040 karypis.srv.2_TS1-scwrl costs 75.539 real_cost = -42.120 gtg_AL2-scwrl costs 126.386 real_cost = 456.378 gtg_AL1-scwrl costs 134.678 real_cost = 453.467 forecast-s_AL5-scwrl costs 84.934 real_cost = 89.385 forecast-s_AL4-scwrl costs 74.106 real_cost = 232.483 forecast-s_AL3-scwrl costs 94.074 real_cost = 238.634 forecast-s_AL2-scwrl costs 80.857 real_cost = 170.847 forecast-s_AL1-scwrl costs 81.618 real_cost = 142.026 beautshotbase_TS1-scwrl costs 65.198 real_cost = -0.455 beautshot_TS1-scwrl costs 59.725 real_cost = -27.807 Zhang-Server_TS5-scwrl costs 49.428 real_cost = -65.722 Zhang-Server_TS4-scwrl costs 44.809 real_cost = -42.288 Zhang-Server_TS3-scwrl costs 53.267 real_cost = -30.143 Zhang-Server_TS2-scwrl costs 49.271 real_cost = -74.361 Zhang-Server_TS1-scwrl costs 61.467 real_cost = -31.177 UNI-EID_sfst_AL5-scwrl costs 79.597 real_cost = 202.089 UNI-EID_sfst_AL4-scwrl costs 81.045 real_cost = 213.914 UNI-EID_sfst_AL3-scwrl costs 83.697 real_cost = 182.120 UNI-EID_sfst_AL2-scwrl costs 78.353 real_cost = 186.557 UNI-EID_sfst_AL1-scwrl costs 73.705 real_cost = 218.806 UNI-EID_expm_TS1-scwrl costs 107.075 real_cost = 181.852 UNI-EID_bnmx_TS5-scwrl costs 70.475 real_cost = 157.325 UNI-EID_bnmx_TS4-scwrl costs 80.811 real_cost = 210.851 UNI-EID_bnmx_TS3-scwrl costs 79.140 real_cost = 179.234 UNI-EID_bnmx_TS2-scwrl costs 72.089 real_cost = 181.946 UNI-EID_bnmx_TS1-scwrl costs 77.280 real_cost = 216.927 SPARKS2_TS5-scwrl costs 65.592 real_cost = 219.590 SPARKS2_TS4-scwrl costs 62.485 real_cost = 53.595 SPARKS2_TS3-scwrl costs 70.233 real_cost = -17.785 SPARKS2_TS2-scwrl costs 45.096 real_cost = -22.722 SPARKS2_TS1-scwrl costs 55.514 real_cost = -38.977 SP4_TS5-scwrl costs 73.018 real_cost = 105.292 SP4_TS4-scwrl costs 109.786 real_cost = 281.042 SP4_TS3-scwrl costs 75.246 real_cost = 3.142 SP4_TS2-scwrl costs 63.736 real_cost = -15.882 SP4_TS1-scwrl costs 59.452 real_cost = -46.927 SP3_TS5-scwrl costs 51.818 real_cost = -20.279 SP3_TS4-scwrl costs 64.360 real_cost = 45.252 SP3_TS3-scwrl costs 69.098 real_cost = -0.319 SP3_TS2-scwrl costs 46.178 real_cost = 23.802 SP3_TS1-scwrl costs 55.514 real_cost = -38.977 SAM_T06_server_TS5-scwrl costs 89.965 real_cost = 172.825 SAM_T06_server_TS4-scwrl costs 67.855 real_cost = 3.364 SAM_T06_server_TS3-scwrl costs 78.120 real_cost = 107.669 SAM_T06_server_TS2-scwrl costs 81.379 real_cost = 138.299 SAM_T06_server_TS1-scwrl costs 45.586 real_cost = 81.621 SAM-T99_AL5-scwrl costs 86.036 real_cost = 113.492 SAM-T99_AL4-scwrl costs 72.036 real_cost = 52.512 SAM-T99_AL3-scwrl costs 87.248 real_cost = 83.251 SAM-T99_AL2-scwrl costs 73.340 real_cost = 190.699 SAM-T99_AL1-scwrl costs 78.974 real_cost = 83.542 SAM-T02_AL5-scwrl costs 76.828 real_cost = 169.112 SAM-T02_AL4-scwrl costs 72.541 real_cost = 138.351 SAM-T02_AL3-scwrl costs 76.927 real_cost = 218.532 SAM-T02_AL2-scwrl costs 84.275 real_cost = 139.011 SAM-T02_AL1-scwrl costs 86.480 real_cost = 177.037 ROKKY_TS5-scwrl costs 34.395 real_cost = 143.150 ROKKY_TS4-scwrl costs 45.163 real_cost = 148.957 ROKKY_TS3-scwrl costs 35.385 real_cost = 133.949 ROKKY_TS2-scwrl costs 36.745 real_cost = 114.724 ROKKY_TS1-scwrl costs 36.734 real_cost = 165.308 ROBETTA_TS5-scwrl costs 62.630 real_cost = 24.540 ROBETTA_TS4-scwrl costs 54.477 real_cost = -6.814 ROBETTA_TS3-scwrl costs 60.366 real_cost = 17.645 ROBETTA_TS2-scwrl costs 63.053 real_cost = 33.801 ROBETTA_TS1-scwrl costs 55.938 real_cost = 15.243 RAPTOR_TS5-scwrl costs 65.087 real_cost = 25.968 RAPTOR_TS4-scwrl costs 55.843 real_cost = -3.034 RAPTOR_TS3-scwrl costs 61.161 real_cost = 5.321 RAPTOR_TS2-scwrl costs 73.395 real_cost = -21.230 RAPTOR_TS1-scwrl costs 74.557 real_cost = -1.731 RAPTORESS_TS5-scwrl costs 65.832 real_cost = 32.281 RAPTORESS_TS4-scwrl costs 59.819 real_cost = 36.319 RAPTORESS_TS3-scwrl costs 66.789 real_cost = 29.542 RAPTORESS_TS2-scwrl costs 79.283 real_cost = 17.933 RAPTORESS_TS1-scwrl costs 73.829 real_cost = 17.073 RAPTOR-ACE_TS5-scwrl costs 57.587 real_cost = -2.650 RAPTOR-ACE_TS4-scwrl costs 73.375 real_cost = -50.458 RAPTOR-ACE_TS3-scwrl costs 55.514 real_cost = -38.977 RAPTOR-ACE_TS2-scwrl costs 49.185 real_cost = -29.898 RAPTOR-ACE_TS1-scwrl costs 51.818 real_cost = -20.279 Pmodeller6_TS5-scwrl costs 54.477 real_cost = -6.814 Pmodeller6_TS4-scwrl costs 52.810 real_cost = -24.757 Pmodeller6_TS3-scwrl costs 55.938 real_cost = 15.243 Pmodeller6_TS2-scwrl costs 62.630 real_cost = 24.540 Pmodeller6_TS1-scwrl costs 46.798 real_cost = -57.273 Phyre-2_TS5-scwrl costs 89.511 real_cost = 28.171 Phyre-2_TS4-scwrl costs 59.491 real_cost = 36.445 Phyre-2_TS3-scwrl costs 64.323 real_cost = 4.889 Phyre-2_TS2-scwrl costs 80.904 real_cost = -17.079 Phyre-2_TS1-scwrl costs 64.249 real_cost = 36.445 Phyre-1_TS1-scwrl costs 78.825 real_cost = 123.725 Pcons6_TS5-scwrl costs 64.348 real_cost = 0.534 Pcons6_TS4-scwrl costs 54.108 real_cost = 108.142 Pcons6_TS3-scwrl costs 49.715 real_cost = -57.454 Pcons6_TS2-scwrl costs 52.551 real_cost = -38.062 Pcons6_TS1-scwrl costs 43.273 real_cost = -39.818 PROTINFO_TS5-scwrl costs 75.138 real_cost = -17.247 PROTINFO_TS4-scwrl costs 55.611 real_cost = 7.769 PROTINFO_TS3-scwrl costs 60.676 real_cost = -12.919 PROTINFO_TS2-scwrl costs 56.579 real_cost = -17.715 PROTINFO_TS1-scwrl costs 58.884 real_cost = 3.130 PROTINFO-AB_TS5-scwrl costs 54.596 real_cost = -24.698 PROTINFO-AB_TS4-scwrl costs 57.161 real_cost = -20.969 PROTINFO-AB_TS3-scwrl costs 53.255 real_cost = -24.737 PROTINFO-AB_TS2-scwrl costs 53.702 real_cost = -22.365 PROTINFO-AB_TS1-scwrl costs 55.466 real_cost = -23.211 POMYSL_TS5-scwrl costs 156.171 real_cost = 259.300 POMYSL_TS4-scwrl costs 123.346 real_cost = 227.824 POMYSL_TS3-scwrl costs 129.332 real_cost = 269.537 POMYSL_TS2-scwrl costs 127.936 real_cost = 197.192 POMYSL_TS1-scwrl costs 105.333 real_cost = 236.437 NN_PUT_lab_TS1-scwrl costs 55.514 real_cost = -38.977 MetaTasser_TS5-scwrl costs 79.383 real_cost = -27.837 MetaTasser_TS4-scwrl costs 89.280 real_cost = -11.057 MetaTasser_TS3-scwrl costs 89.026 real_cost = -36.700 MetaTasser_TS2-scwrl costs 76.565 real_cost = -15.569 MetaTasser_TS1-scwrl costs 85.959 real_cost = -33.875 Ma-OPUS-server_TS5-scwrl costs 78.099 real_cost = 276.052 Ma-OPUS-server_TS4-scwrl costs 78.455 real_cost = 103.907 Ma-OPUS-server_TS3-scwrl costs 97.157 real_cost = 206.823 Ma-OPUS-server_TS2-scwrl costs 57.731 real_cost = 70.304 Ma-OPUS-server_TS1-scwrl costs 51.531 real_cost = -54.020 Ma-OPUS-server2_TS5-scwrl costs 78.099 real_cost = 276.052 Ma-OPUS-server2_TS4-scwrl costs 64.310 real_cost = 113.946 Ma-OPUS-server2_TS3-scwrl costs 97.157 real_cost = 206.823 Ma-OPUS-server2_TS2-scwrl costs 67.443 real_cost = -33.313 Ma-OPUS-server2_TS1-scwrl costs 50.509 real_cost = -26.111 MIG_FROST_AL1-scwrl costs 76.119 real_cost = 215.358 LOOPP_TS4-scwrl costs 76.144 real_cost = 215.539 LOOPP_TS3-scwrl costs 70.528 real_cost = 32.576 LOOPP_TS2-scwrl costs 70.371 real_cost = 39.887 LOOPP_TS1-scwrl costs 61.419 real_cost = -5.144 Huber-Torda-Server_TS5-scwrl costs 79.420 real_cost = 249.112 Huber-Torda-Server_TS4-scwrl costs 103.532 real_cost = 253.348 Huber-Torda-Server_TS3-scwrl costs 106.142 real_cost = 269.073 Huber-Torda-Server_TS2-scwrl costs 83.475 real_cost = 172.210 Huber-Torda-Server_TS1-scwrl costs 72.483 real_cost = 95.562 HHpred3_TS1-scwrl costs 51.134 real_cost = -20.517 HHpred2_TS1-scwrl costs 51.134 real_cost = -20.517 HHpred1_TS1-scwrl costs 47.944 real_cost = -33.069 GeneSilicoMetaServer_TS5-scwrl costs 68.480 real_cost = -30.190 GeneSilicoMetaServer_TS4-scwrl costs 48.589 real_cost = 114.118 GeneSilicoMetaServer_TS3-scwrl costs 83.983 real_cost = -20.955 GeneSilicoMetaServer_TS2-scwrl costs 52.904 real_cost = 15.696 GeneSilicoMetaServer_TS1-scwrl costs 42.263 real_cost = -55.534 FUNCTION_TS5-scwrl costs 72.582 real_cost = 23.838 FUNCTION_TS4-scwrl costs 72.169 real_cost = 41.779 FUNCTION_TS3-scwrl costs 68.294 real_cost = 35.651 FUNCTION_TS2-scwrl costs 80.328 real_cost = 100.700 FUNCTION_TS1-scwrl costs 76.159 real_cost = -4.152 FUGUE_AL5-scwrl costs 86.852 real_cost = 273.550 FUGUE_AL4-scwrl costs 102.459 real_cost = 294.541 FUGUE_AL3-scwrl costs 56.054 real_cost = 36.315 FUGUE_AL2-scwrl costs 107.595 real_cost = 255.393 FUGUE_AL1-scwrl costs 106.538 real_cost = 304.067 FUGMOD_TS5-scwrl costs 84.023 real_cost = 178.314 FUGMOD_TS4-scwrl costs 91.873 real_cost = 203.279 FUGMOD_TS3-scwrl costs 46.127 real_cost = -13.589 FUGMOD_TS2-scwrl costs 89.465 real_cost = 166.761 FUGMOD_TS1-scwrl costs 95.363 real_cost = 219.200 FPSOLVER-SERVER_TS5-scwrl costs 118.090 real_cost = 237.492 FPSOLVER-SERVER_TS4-scwrl costs 98.262 real_cost = 189.112 FPSOLVER-SERVER_TS3-scwrl costs 109.751 real_cost = 180.987 FPSOLVER-SERVER_TS2-scwrl costs 85.438 real_cost = 214.269 FPSOLVER-SERVER_TS1-scwrl costs 122.556 real_cost = 235.749 FORTE2_AL5-scwrl costs 143.939 real_cost = 339.119 FORTE2_AL4-scwrl costs 53.560 real_cost = 175.955 FORTE2_AL3-scwrl costs 70.586 real_cost = 99.903 FORTE2_AL2-scwrl costs 76.094 real_cost = 175.933 FORTE2_AL1-scwrl costs 156.850 real_cost = 402.201 FORTE1_AL5-scwrl costs 143.939 real_cost = 339.119 FORTE1_AL4-scwrl costs 53.560 real_cost = 175.955 FORTE1_AL3-scwrl costs 76.094 real_cost = 175.933 FORTE1_AL2-scwrl costs 156.850 real_cost = 402.201 FORTE1_AL1-scwrl costs 76.869 real_cost = 155.255 FOLDpro_TS5-scwrl costs 63.683 real_cost = 21.244 FOLDpro_TS4-scwrl costs 75.730 real_cost = 173.260 FOLDpro_TS3-scwrl costs 97.287 real_cost = 137.629 FOLDpro_TS2-scwrl costs 57.224 real_cost = -54.331 FOLDpro_TS1-scwrl costs 62.155 real_cost = 8.662 FAMS_TS5-scwrl costs 72.139 real_cost = 18.159 FAMS_TS4-scwrl costs 67.326 real_cost = -19.642 FAMS_TS3-scwrl costs 57.133 real_cost = -38.589 FAMS_TS2-scwrl costs 57.170 real_cost = -40.449 FAMS_TS1-scwrl costs 74.578 real_cost = 44.605 FAMSD_TS5-scwrl costs 69.645 real_cost = -6.277 FAMSD_TS4-scwrl costs 71.563 real_cost = 64.839 FAMSD_TS3-scwrl costs 72.139 real_cost = 18.159 FAMSD_TS2-scwrl costs 78.668 real_cost = 62.481 FAMSD_TS1-scwrl costs 78.729 real_cost = 29.956 Distill_TS5-scwrl costs 234.810 real_cost = 309.104 Distill_TS4-scwrl costs 239.119 real_cost = 315.566 Distill_TS3-scwrl costs 236.003 real_cost = 314.921 Distill_TS2-scwrl costs 240.776 real_cost = 314.987 Distill_TS1-scwrl costs 236.016 real_cost = 316.174 CaspIta-FOX_TS5-scwrl costs 87.535 real_cost = 108.778 CaspIta-FOX_TS4-scwrl costs 58.233 real_cost = 0.312 CaspIta-FOX_TS3-scwrl costs 53.857 real_cost = -36.140 CaspIta-FOX_TS2-scwrl costs 80.700 real_cost = 10.814 CaspIta-FOX_TS1-scwrl costs 80.340 real_cost = 45.184 CIRCLE_TS5-scwrl costs 78.668 real_cost = 62.481 CIRCLE_TS4-scwrl costs 78.684 real_cost = -15.983 CIRCLE_TS3-scwrl costs 67.326 real_cost = -19.642 CIRCLE_TS2-scwrl costs 57.133 real_cost = -38.589 CIRCLE_TS1-scwrl costs 57.170 real_cost = -40.449 Bilab-ENABLE_TS5-scwrl costs 45.845 real_cost = -42.282 Bilab-ENABLE_TS4-scwrl costs 45.845 real_cost = -42.282 Bilab-ENABLE_TS3-scwrl costs 46.040 real_cost = -41.568 Bilab-ENABLE_TS2-scwrl costs 100.471 real_cost = 161.618 Bilab-ENABLE_TS1-scwrl costs 86.988 real_cost = 182.662 BayesHH_TS1-scwrl costs 51.134 real_cost = -20.517 ABIpro_TS5-scwrl costs 72.422 real_cost = 136.100 ABIpro_TS4-scwrl costs 65.821 real_cost = 184.685 ABIpro_TS3-scwrl costs 57.222 real_cost = 122.639 ABIpro_TS2-scwrl costs 56.580 real_cost = 127.059 ABIpro_TS1-scwrl costs 56.723 real_cost = 141.941 3Dpro_TS5-scwrl costs 56.723 real_cost = 141.941 3Dpro_TS4-scwrl costs 69.156 real_cost = 139.770 3Dpro_TS3-scwrl costs 75.478 real_cost = 88.663 3Dpro_TS2-scwrl costs 92.051 real_cost = 149.979 3Dpro_TS1-scwrl costs 66.221 real_cost = -3.739 3D-JIGSAW_TS5-scwrl costs 76.305 real_cost = 82.080 3D-JIGSAW_TS4-scwrl costs 78.622 real_cost = 240.264 3D-JIGSAW_TS3-scwrl costs 68.920 real_cost = 93.698 3D-JIGSAW_TS2-scwrl costs 75.172 real_cost = 113.092 3D-JIGSAW_TS1-scwrl costs 78.234 real_cost = 116.476 3D-JIGSAW_RECOM_TS5-scwrl costs 60.796 real_cost = 49.194 3D-JIGSAW_RECOM_TS4-scwrl costs 73.458 real_cost = 89.700 3D-JIGSAW_RECOM_TS3-scwrl costs 53.198 real_cost = 25.866 3D-JIGSAW_RECOM_TS2-scwrl costs 57.229 real_cost = 25.998 3D-JIGSAW_RECOM_TS1-scwrl costs 72.803 real_cost = 87.560 3D-JIGSAW_POPULUS_TS5-scwrl costs 43.401 real_cost = 114.222 3D-JIGSAW_POPULUS_TS4-scwrl costs 50.942 real_cost = 38.791 3D-JIGSAW_POPULUS_TS3-scwrl costs 57.932 real_cost = 35.100 3D-JIGSAW_POPULUS_TS2-scwrl costs 50.273 real_cost = 82.789 3D-JIGSAW_POPULUS_TS1-scwrl costs 47.117 real_cost = 34.587 dimer//dimer3-1tbxA-dimer6 costs 61.337 real_cost = 53.079 dimer//dimer2-1tbxA-dimer6 costs 61.337 real_cost = 53.067 dimer//dimer1-1tbxA-dimer6 costs 61.337 real_cost = 53.069 dimer//dimer-1ub9A-dimer11 costs 50.140 real_cost = 57.004 dimer//dimer-1tbxA-try1-opt2 costs 63.142 real_cost = 8.295 dimer//dimer-1tbxA-try1-opt2-proteinshop costs 56.202 real_cost = 49.186 dimer//try9-opt2.unpack costs 55.848 real_cost = 58.939 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 44.005 real_cost = 48.625 dimer//try9-opt2.unpack.gromacs0 costs 44.005 real_cost = 59.425 dimer//try9-opt2.repack-nonPC costs 55.848 real_cost = 53.468 dimer//try9-opt2 costs 55.848 real_cost = 58.939 dimer//try9-opt2.gromacs0 costs 48.456 real_cost = 58.461 dimer//try9-opt1 costs 55.848 real_cost = 58.775 dimer//try9-opt1-scwrl costs 55.848 real_cost = 55.641 dimer//try8-opt2.unpack costs 58.106 real_cost = 55.113 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 44.225 real_cost = 50.548 dimer//try8-opt2.unpack.gromacs0 costs 44.225 real_cost = 53.616 dimer//try8-opt2.repack-nonPC costs 58.106 real_cost = 53.502 dimer//try8-opt2 costs 58.106 real_cost = 55.113 dimer//try8-opt2.gromacs0 costs 52.195 real_cost = 54.359 dimer//try8-opt1 costs 58.106 real_cost = 54.117 dimer//try8-opt1-scwrl costs 58.106 real_cost = 51.951 dimer//try7-opt2.unpack costs 63.242 real_cost = 57.133 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 51.822 real_cost = 53.517 dimer//try7-opt2.unpack.gromacs0 costs 51.822 real_cost = 55.833 dimer//try7-opt2.repack-nonPC costs 63.242 real_cost = 56.141 dimer//try7-opt2 costs 63.242 real_cost = 57.133 dimer//try7-opt2.gromacs0 costs 66.300 real_cost = 63.284 dimer//try7-opt1 costs 64.580 real_cost = 55.401 dimer//try7-opt1-scwrl costs 64.580 real_cost = 52.302 dimer//try6-opt2.unpack costs 61.337 real_cost = 53.067 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 43.119 real_cost = 48.864 dimer//try6-opt2.unpack.gromacs0 costs 43.119 real_cost = 50.751 dimer//try6-opt2.repack-nonPC costs 61.337 real_cost = 52.378 dimer//try6-opt2 costs 61.337 real_cost = 53.067 dimer//try6-opt2.gromacs0 costs 45.496 real_cost = 52.516 dimer//try6-opt1 costs 55.974 real_cost = 54.021 dimer//try6-opt1-scwrl costs 55.974 real_cost = 53.001 dimer//try5-opt2.unpack costs 54.758 real_cost = 44.133 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 41.016 real_cost = 46.141 dimer//try5-opt2.unpack.gromacs0 costs 44.768 real_cost = 49.447 dimer//try5-opt2.repack-nonPC costs 54.758 real_cost = 46.619 dimer//try5-opt2 costs 54.758 real_cost = 44.133 dimer//try5-opt2.gromacs0 costs 47.987 real_cost = 49.359 dimer//try5-opt1 costs 55.149 real_cost = 44.182 dimer//try5-opt1-scwrl costs 55.149 real_cost = 43.087 dimer//try4-opt2.unpack costs 54.212 real_cost = 54.473 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 42.118 real_cost = 51.116 dimer//try4-opt2.unpack.gromacs0 costs 42.118 real_cost = 51.705 dimer//try4-opt2.repack-nonPC costs 54.212 real_cost = 54.289 dimer//try4-opt2 costs 54.212 real_cost = 54.473 dimer//try4-opt2.gromacs0 costs 47.715 real_cost = 52.419 dimer//try4-opt1 costs 54.374 real_cost = 56.762 dimer//try4-opt1-scwrl costs 54.374 real_cost = 56.642 dimer//try3-opt2.unpack costs 51.221 real_cost = 31.318 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 44.224 real_cost = 28.212 dimer//try3-opt2.unpack.gromacs0 costs 44.224 real_cost = 27.474 dimer//try3-opt2.repack-nonPC costs 51.221 real_cost = 31.436 dimer//try3-opt2 costs 51.221 real_cost = 31.318 dimer//try3-opt2.gromacs0 costs 49.583 real_cost = 26.915 dimer//try3-opt1 costs 49.033 real_cost = 31.633 dimer//try3-opt1-scwrl costs 49.033 real_cost = 33.563 dimer//try2-opt2.unpack costs 57.242 real_cost = 107.528 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 46.268 real_cost = 107.644 dimer//try2-opt2.unpack.gromacs0 costs 46.268 real_cost = 105.121 dimer//try2-opt2.repack-nonPC costs 57.242 real_cost = 106.823 dimer//try2-opt2 costs 57.242 real_cost = 107.528 dimer//try2-opt2.gromacs0 costs 53.209 real_cost = 106.492 dimer//try2-opt1 costs 54.832 real_cost = 111.627 dimer//try2-opt1-scwrl costs 54.832 real_cost = 113.561 dimer//try15-opt2.unpack costs 48.006 real_cost = 55.577 dimer//try15-opt2.unpack.gromacs0.repack-nonPC costs 43.565 real_cost = 51.108 dimer//try15-opt2.unpack.gromacs0 costs 43.565 real_cost = 54.224 dimer//try15-opt2.repack-nonPC costs 48.006 real_cost = 54.053 dimer//try15-opt2 costs 48.006 real_cost = 55.577 dimer//try15-opt1 costs 48.365 real_cost = 54.426 dimer//try15-opt1-scwrl costs 48.365 real_cost = 53.389 dimer//try14-opt2.unpack costs 50.112 real_cost = 58.644 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 43.599 real_cost = 55.721 dimer//try14-opt2.unpack.gromacs0 costs 43.599 real_cost = 57.991 dimer//try14-opt2.repack-nonPC costs 50.112 real_cost = 54.108 dimer//try14-opt2 costs 50.112 real_cost = 58.644 dimer//try14-opt2.gromacs0 costs 47.202 real_cost = 59.936 dimer//try14-opt1 costs 49.919 real_cost = 56.930 dimer//try14-opt1-scwrl costs 49.919 real_cost = 53.427 dimer//try13-opt2.unpack costs 47.130 real_cost = 47.225 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 41.478 real_cost = 44.572 dimer//try13-opt2.unpack.gromacs0 costs 41.478 real_cost = 45.451 dimer//try13-opt2.repack-nonPC costs 47.130 real_cost = 43.918 dimer//try13-opt2 costs 47.130 real_cost = 47.225 dimer//try13-opt2.gromacs0 costs 45.059 real_cost = 47.286 dimer//try13-opt1 costs 47.519 real_cost = 48.446 dimer//try13-opt1-scwrl costs 47.519 real_cost = 45.529 dimer//try12-opt2.unpack costs 47.519 real_cost = 45.807 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 41.016 real_cost = 45.633 dimer//try12-opt2.unpack.gromacs0 costs 41.016 real_cost = 45.887 dimer//try12-opt2.repack-nonPC costs 47.519 real_cost = 43.531 dimer//try12-opt2 costs 47.519 real_cost = 45.807 dimer//try12-opt2.gromacs0 costs 45.339 real_cost = 49.080 dimer//try12-opt1 costs 47.519 real_cost = 47.537 dimer//try12-opt1-scwrl costs 47.519 real_cost = 45.957 dimer//try11-opt2.unpack costs 49.919 real_cost = 56.985 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 43.210 real_cost = 50.682 dimer//try11-opt2.unpack.gromacs0 costs 43.210 real_cost = 56.423 dimer//try11-opt2.repack-nonPC costs 49.919 real_cost = 51.665 dimer//try11-opt2 costs 49.919 real_cost = 56.985 dimer//try11-opt2.gromacs0 costs 47.202 real_cost = 57.132 dimer//try11-opt1 costs 49.919 real_cost = 57.542 dimer//try11-opt1-scwrl costs 49.919 real_cost = 51.936 dimer//try10-opt2.unpack costs 55.848 real_cost = 59.049 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 43.184 real_cost = 51.995 dimer//try10-opt2.unpack.gromacs0 costs 43.184 real_cost = 61.764 dimer//try10-opt2.repack-nonPC costs 55.848 real_cost = 51.458 dimer//try10-opt2 costs 55.848 real_cost = 59.049 dimer//try10-opt2.gromacs0 costs 48.124 real_cost = 62.692 dimer//try10-opt1 costs 55.848 real_cost = 57.142 dimer//try10-opt1-scwrl costs 55.848 real_cost = 51.307 dimer//try1-opt2.unpack costs 54.757 real_cost = 101.016 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 46.070 real_cost = 104.875 dimer//try1-opt2.unpack.gromacs0 costs 46.070 real_cost = 103.269 dimer//try1-opt2.repack-nonPC costs 54.757 real_cost = 104.691 dimer//try1-opt2 costs 54.757 real_cost = 101.016 dimer//try1-opt2.gromacs0 costs 46.359 real_cost = 104.173 dimer//try1-opt1 costs 52.108 real_cost = 108.573 dimer//try1-opt1-scwrl costs 52.108 real_cost = 103.294 T0327.try4-opt2.repack-nonPC.pdb.gz costs 55.628 real_cost = 62.187 T0327.try4-opt2.pdb.gz costs 55.628 real_cost = 65.675 T0327.try4-opt2.gromacs0.pdb.gz costs 44.908 real_cost = 64.945 T0327.try4-opt1.pdb.gz costs 54.500 real_cost = 59.642 T0327.try4-opt1-scwrl.pdb.gz costs 54.500 real_cost = 62.607 T0327.try3-opt2.repack-nonPC.pdb.gz costs 59.083 real_cost = 107.254 T0327.try3-opt2.pdb.gz costs 59.083 real_cost = 105.411 T0327.try3-opt2.gromacs0.pdb.gz costs 43.556 real_cost = 105.023 T0327.try3-opt1.pdb.gz costs 54.824 real_cost = 104.452 T0327.try3-opt1-scwrl.pdb.gz costs 54.824 real_cost = 102.334 T0327.try2-opt2.repack-nonPC.pdb.gz costs 56.058 real_cost = 8.109 T0327.try2-opt2.pdb.gz costs 56.058 real_cost = 12.525 T0327.try2-opt2.gromacs0.pdb.gz costs 44.109 real_cost = 12.809 T0327.try2-opt1.pdb.gz costs 56.375 real_cost = 12.051 T0327.try2-opt1-scwrl.pdb.gz costs 56.375 real_cost = 11.970 T0327.try1-opt2.repack-nonPC.pdb.gz costs 63.142 real_cost = 11.823 T0327.try1-opt2.pdb.gz costs 63.142 real_cost = 8.319 T0327.try1-opt2.gromacs0.pdb.gz costs 52.056 real_cost = 8.698 T0327.try1-opt2-proteinshop.pdb.gz costs 56.202 real_cost = 49.515 T0327.try1-opt2-proteinshop-2.pdb.gz costs 60.793 real_cost = 49.515 T0327.try1-opt1.pdb.gz costs 60.268 real_cost = 8.233 T0327.try1-opt1-scwrl.pdb.gz costs 60.268 real_cost = 8.255 ../model5.ts-submitted costs 63.487 real_cost = 23.879 ../model4.ts-submitted costs 72.821 real_cost = 22.299 ../model3.ts-submitted costs 55.628 real_cost = 65.665 ../model2.ts-submitted costs 45.292 real_cost = 47.236 ../model1.ts-submitted costs 50.112 real_cost = 58.671 align5 costs 78.337 real_cost = 88.004 align4 costs 71.707 real_cost = 15.482 align3 costs 72.948 real_cost = 35.507 align2 costs 64.740 real_cost = 20.733 align1 costs 76.519 real_cost = 26.055 T0327.try1-opt2.pdb costs 63.142 real_cost = 8.319 model5-scwrl costs 63.487 real_cost = 23.879 model4-scwrl costs 72.821 real_cost = 22.299 model3-scwrl costs 55.628 real_cost = 65.665 model2-scwrl costs 45.292 real_cost = 47.236 model1-scwrl costs 50.112 real_cost = 58.671 2hgcA costs 66.819 real_cost = -851.000 # command:CPU_time= 136.892 sec, elapsed time= 143.409 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/T0327'