make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0322' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0322.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/T0322.} ;\ 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/T0322/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hboA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183474581 # 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= 6.746 sec, elapsed time= 6.802 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= 6.821 sec, elapsed time= 6.907 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0322 numbered 1 through 157 Created new target T0322 from T0322.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hboA expands to /projects/compbio/data/pdb/2hbo.pdb.gz 2hboA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 448, because occupancy 0.5 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 452, because occupancy 0.500 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 454, because occupancy 0.500 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 456, because occupancy 0.250 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 458, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 595, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 599, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 603, because occupancy 0.500 <= existing 0.500 in 2hboA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 911, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 915, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 917, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 919, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 921, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 923, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 925, because occupancy 0.500 <= existing 0.500 in 2hboA Skipped atom 927, because occupancy 0.500 <= existing 0.500 in 2hboA Read 142 residues and 1089 atoms. # WARNING: incomplete conformation T0322 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= 9.790 sec, elapsed time= 10.077 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 139 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -64.261 # GDT_score(maxd=8.000,maxw=2.900)= -67.196 # GDT_score(maxd=8.000,maxw=3.200)= -63.784 # GDT_score(maxd=8.000,maxw=3.500)= -60.517 # GDT_score(maxd=10.000,maxw=3.800)= -63.065 # GDT_score(maxd=10.000,maxw=4.000)= -61.021 # GDT_score(maxd=10.000,maxw=4.200)= -59.031 # GDT_score(maxd=12.000,maxw=4.300)= -62.457 # GDT_score(maxd=12.000,maxw=4.500)= -60.513 # GDT_score(maxd=12.000,maxw=4.700)= -58.614 # GDT_score(maxd=14.000,maxw=5.200)= -57.669 # GDT_score(maxd=14.000,maxw=5.500)= -54.973 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0322.model1-real.pdb for output Error: Couldn't open file T0322.model1-real.pdb for output superimposing iter= 0 total_weight= 1657.000 rmsd (weighted)= 7.602 (unweighted)= 15.946 superimposing iter= 1 total_weight= 4699.825 rmsd (weighted)= 2.793 (unweighted)= 16.338 superimposing iter= 2 total_weight= 3078.069 rmsd (weighted)= 1.539 (unweighted)= 16.505 superimposing iter= 3 total_weight= 1635.869 rmsd (weighted)= 1.230 (unweighted)= 16.573 superimposing iter= 4 total_weight= 1256.574 rmsd (weighted)= 1.130 (unweighted)= 16.618 superimposing iter= 5 total_weight= 1188.517 rmsd (weighted)= 1.071 (unweighted)= 16.650 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 20.545 -12.953 -6.910 1.00 0.00 ATOM 2 CA MET A 1 22.037 -12.973 -6.912 1.00 0.00 ATOM 3 CB MET A 1 22.590 -11.619 -7.371 1.00 0.00 ATOM 4 CG MET A 1 22.238 -11.219 -8.792 1.00 0.00 ATOM 5 SD MET A 1 23.022 -9.649 -9.236 1.00 0.00 ATOM 6 CE MET A 1 22.414 -9.429 -10.901 1.00 0.00 ATOM 7 O MET A 1 21.998 -12.921 -4.518 1.00 0.00 ATOM 8 C MET A 1 22.614 -13.251 -5.536 1.00 0.00 ATOM 9 N SER A 2 23.799 -13.847 -5.485 1.00 0.00 ATOM 10 CA SER A 2 24.452 -14.172 -4.224 1.00 0.00 ATOM 11 CB SER A 2 25.579 -15.187 -4.462 1.00 0.00 ATOM 12 OG SER A 2 26.708 -14.533 -5.023 1.00 0.00 ATOM 13 O SER A 2 25.012 -11.835 -4.174 1.00 0.00 ATOM 14 C SER A 2 24.964 -12.897 -3.551 1.00 0.00 ATOM 15 N ASP A 3 25.347 -13.010 -2.279 1.00 0.00 ATOM 16 CA ASP A 3 25.861 -11.854 -1.537 1.00 0.00 ATOM 17 CB ASP A 3 26.082 -12.226 -0.079 1.00 0.00 ATOM 18 CG ASP A 3 24.795 -12.377 0.681 1.00 0.00 ATOM 19 OD1 ASP A 3 23.732 -11.898 0.219 1.00 0.00 ATOM 20 OD2 ASP A 3 24.756 -12.948 1.789 1.00 0.00 ATOM 21 O ASP A 3 27.279 -10.099 -2.405 1.00 0.00 ATOM 22 C ASP A 3 27.142 -11.312 -2.179 1.00 0.00 ATOM 23 N ASP A 4 28.064 -12.172 -2.505 1.00 0.00 ATOM 24 CA ASP A 4 29.316 -11.753 -3.173 1.00 0.00 ATOM 25 CB ASP A 4 30.326 -12.905 -3.230 1.00 0.00 ATOM 26 CG ASP A 4 30.746 -13.376 -1.852 1.00 0.00 ATOM 27 OD1 ASP A 4 31.124 -12.511 -1.025 1.00 0.00 ATOM 28 OD2 ASP A 4 30.703 -14.602 -1.587 1.00 0.00 ATOM 29 O ASP A 4 29.585 -10.241 -5.060 1.00 0.00 ATOM 30 C ASP A 4 29.022 -11.249 -4.597 1.00 0.00 ATOM 31 N LEU A 5 28.134 -11.961 -5.286 1.00 0.00 ATOM 32 CA LEU A 5 27.759 -11.612 -6.664 1.00 0.00 ATOM 33 CB LEU A 5 26.734 -12.630 -7.192 1.00 0.00 ATOM 34 CG LEU A 5 26.194 -12.400 -8.609 1.00 0.00 ATOM 35 CD1 LEU A 5 27.381 -12.215 -9.585 1.00 0.00 ATOM 36 CD2 LEU A 5 25.240 -13.530 -9.017 1.00 0.00 ATOM 37 O LEU A 5 27.455 -9.381 -7.552 1.00 0.00 ATOM 38 C LEU A 5 27.151 -10.214 -6.684 1.00 0.00 ATOM 39 N THR A 6 26.315 -9.919 -5.698 1.00 0.00 ATOM 40 CA THR A 6 25.681 -8.605 -5.676 1.00 0.00 ATOM 41 CB THR A 6 24.711 -8.507 -4.481 1.00 0.00 ATOM 42 CG2 THR A 6 24.129 -7.041 -4.369 1.00 0.00 ATOM 43 OG1 THR A 6 23.631 -9.441 -4.677 1.00 0.00 ATOM 44 O THR A 6 26.705 -6.494 -6.295 1.00 0.00 ATOM 45 C THR A 6 26.726 -7.489 -5.552 1.00 0.00 ATOM 46 N ASP A 7 27.627 -7.643 -4.600 1.00 0.00 ATOM 47 CA ASP A 7 28.656 -6.632 -4.374 1.00 0.00 ATOM 48 CB ASP A 7 29.451 -6.937 -3.074 1.00 0.00 ATOM 49 CG ASP A 7 28.594 -6.852 -1.827 1.00 0.00 ATOM 50 OD1 ASP A 7 27.456 -6.336 -1.917 1.00 0.00 ATOM 51 OD2 ASP A 7 29.075 -7.292 -0.759 1.00 0.00 ATOM 52 O ASP A 7 29.935 -5.390 -5.990 1.00 0.00 ATOM 53 C ASP A 7 29.593 -6.502 -5.570 1.00 0.00 ATOM 54 N ALA A 8 30.002 -7.621 -6.127 1.00 0.00 ATOM 55 CA ALA A 8 30.903 -7.627 -7.275 1.00 0.00 ATOM 56 CB ALA A 8 31.343 -9.058 -7.653 1.00 0.00 ATOM 57 O ALA A 8 30.961 -6.322 -9.279 1.00 0.00 ATOM 58 C ALA A 8 30.249 -7.009 -8.522 1.00 0.00 ATOM 59 N GLN A 9 28.973 -7.263 -8.780 1.00 0.00 ATOM 60 CA GLN A 9 28.322 -6.709 -9.963 1.00 0.00 ATOM 61 CB GLN A 9 26.963 -7.372 -10.212 1.00 0.00 ATOM 62 CG GLN A 9 27.089 -8.910 -10.373 1.00 0.00 ATOM 63 CD GLN A 9 28.032 -9.285 -11.465 1.00 0.00 ATOM 64 OE1 GLN A 9 27.972 -8.724 -12.582 1.00 0.00 ATOM 65 NE2 GLN A 9 28.951 -10.239 -11.173 1.00 0.00 ATOM 66 O GLN A 9 28.350 -4.511 -10.892 1.00 0.00 ATOM 67 C GLN A 9 28.218 -5.197 -9.880 1.00 0.00 ATOM 68 N THR A 10 27.981 -4.657 -8.708 1.00 0.00 ATOM 69 CA THR A 10 27.971 -3.208 -8.511 1.00 0.00 ATOM 70 CB THR A 10 27.666 -2.836 -7.057 1.00 0.00 ATOM 71 CG2 THR A 10 27.422 -1.338 -6.915 1.00 0.00 ATOM 72 OG1 THR A 10 26.470 -3.522 -6.644 1.00 0.00 ATOM 73 O THR A 10 29.454 -1.552 -9.505 1.00 0.00 ATOM 74 C THR A 10 29.331 -2.598 -8.857 1.00 0.00 ATOM 75 N ALA A 11 30.399 -3.239 -8.400 1.00 0.00 ATOM 76 CA ALA A 11 31.783 -2.786 -8.666 1.00 0.00 ATOM 77 CB ALA A 11 32.812 -3.580 -7.895 1.00 0.00 ATOM 78 O ALA A 11 32.784 -1.923 -10.654 1.00 0.00 ATOM 79 C ALA A 11 32.101 -2.809 -10.153 1.00 0.00 ATOM 80 N ALA A 12 31.674 -3.831 -10.874 1.00 0.00 ATOM 81 CA ALA A 12 31.890 -3.899 -12.318 1.00 0.00 ATOM 82 CB ALA A 12 31.834 -5.351 -12.797 1.00 0.00 ATOM 83 O ALA A 12 31.202 -2.420 -14.070 1.00 0.00 ATOM 84 C ALA A 12 30.865 -3.101 -13.104 1.00 0.00 ATOM 85 N ILE A 13 29.546 -3.210 -12.676 1.00 0.00 ATOM 86 CA ILE A 13 28.462 -2.522 -13.364 1.00 0.00 ATOM 87 CB ILE A 13 28.014 -3.479 -14.630 1.00 0.00 ATOM 88 CG1 ILE A 13 29.209 -4.144 -15.319 1.00 0.00 ATOM 89 CG2 ILE A 13 26.915 -4.354 -14.042 1.00 0.00 ATOM 90 CD1 ILE A 13 28.825 -5.204 -16.333 1.00 0.00 ATOM 91 O ILE A 13 26.468 -2.187 -12.075 1.00 0.00 ATOM 92 C ILE A 13 27.584 -1.766 -12.375 1.00 0.00 ATOM 93 N PRO A 14 28.078 -0.612 -11.882 1.00 0.00 ATOM 94 CA PRO A 14 27.308 0.209 -10.942 1.00 0.00 ATOM 95 CB PRO A 14 28.287 1.326 -10.568 1.00 0.00 ATOM 96 CG PRO A 14 29.220 1.381 -11.731 1.00 0.00 ATOM 97 CD PRO A 14 29.435 -0.071 -12.061 1.00 0.00 ATOM 98 O PRO A 14 25.016 0.797 -10.756 1.00 0.00 ATOM 99 C PRO A 14 25.988 0.743 -11.508 1.00 0.00 ATOM 100 N GLU A 15 25.961 1.137 -12.759 1.00 0.00 ATOM 101 CA GLU A 15 24.744 1.683 -13.365 1.00 0.00 ATOM 102 CB GLU A 15 24.970 2.225 -14.755 1.00 0.00 ATOM 103 CG GLU A 15 23.772 2.930 -15.372 1.00 0.00 ATOM 104 CD GLU A 15 23.503 4.342 -14.867 1.00 0.00 ATOM 105 OE1 GLU A 15 24.285 4.892 -14.070 1.00 0.00 ATOM 106 OE2 GLU A 15 22.486 4.909 -15.319 1.00 0.00 ATOM 107 O GLU A 15 22.509 0.813 -13.162 1.00 0.00 ATOM 108 C GLU A 15 23.687 0.579 -13.442 1.00 0.00 ATOM 109 N GLY A 16 24.117 -0.610 -13.827 1.00 0.00 ATOM 110 CA GLY A 16 23.193 -1.724 -13.937 1.00 0.00 ATOM 111 O GLY A 16 21.361 -2.234 -12.478 1.00 0.00 ATOM 112 C GLY A 16 22.575 -2.073 -12.593 1.00 0.00 ATOM 113 N PHE A 17 23.403 -2.212 -11.573 1.00 0.00 ATOM 114 CA PHE A 17 22.910 -2.543 -10.240 1.00 0.00 ATOM 115 CB PHE A 17 24.076 -2.851 -9.300 1.00 0.00 ATOM 116 CG PHE A 17 23.655 -3.336 -7.937 1.00 0.00 ATOM 117 CD1 PHE A 17 23.371 -4.683 -7.721 1.00 0.00 ATOM 118 CD2 PHE A 17 23.543 -2.449 -6.865 1.00 0.00 ATOM 119 CE1 PHE A 17 22.973 -5.140 -6.444 1.00 0.00 ATOM 120 CE2 PHE A 17 23.145 -2.898 -5.585 1.00 0.00 ATOM 121 CZ PHE A 17 22.862 -4.245 -5.386 1.00 0.00 ATOM 122 O PHE A 17 20.981 -1.708 -9.071 1.00 0.00 ATOM 123 C PHE A 17 22.005 -1.432 -9.700 1.00 0.00 ATOM 124 N SER A 18 22.382 -0.140 -9.938 1.00 0.00 ATOM 125 CA SER A 18 21.601 1.006 -9.479 1.00 0.00 ATOM 126 CB SER A 18 22.297 2.317 -9.853 1.00 0.00 ATOM 127 OG SER A 18 23.537 2.447 -9.181 1.00 0.00 ATOM 128 O SER A 18 19.201 1.105 -9.455 1.00 0.00 ATOM 129 C SER A 18 20.220 0.928 -10.121 1.00 0.00 ATOM 130 N GLN A 19 20.205 0.647 -11.425 1.00 0.00 ATOM 131 CA GLN A 19 18.939 0.541 -12.136 1.00 0.00 ATOM 132 CB GLN A 19 19.207 0.301 -13.606 1.00 0.00 ATOM 133 CG GLN A 19 17.962 0.090 -14.416 1.00 0.00 ATOM 134 CD GLN A 19 17.086 1.337 -14.510 1.00 0.00 ATOM 135 OE1 GLN A 19 17.553 2.412 -14.904 1.00 0.00 ATOM 136 NE2 GLN A 19 15.807 1.188 -14.170 1.00 0.00 ATOM 137 O GLN A 19 16.909 -0.474 -11.329 1.00 0.00 ATOM 138 C GLN A 19 18.110 -0.612 -11.549 1.00 0.00 ATOM 139 N LEU A 20 18.764 -1.745 -11.303 1.00 0.00 ATOM 140 CA LEU A 20 18.110 -2.913 -10.726 1.00 0.00 ATOM 141 CB LEU A 20 19.054 -4.074 -10.561 1.00 0.00 ATOM 142 CG LEU A 20 18.432 -5.366 -10.020 1.00 0.00 ATOM 143 CD1 LEU A 20 17.462 -5.964 -11.034 1.00 0.00 ATOM 144 CD2 LEU A 20 19.510 -6.363 -9.683 1.00 0.00 ATOM 145 O LEU A 20 16.488 -2.967 -8.978 1.00 0.00 ATOM 146 C LEU A 20 17.598 -2.594 -9.335 1.00 0.00 ATOM 147 N ASN A 21 18.399 -1.879 -8.548 1.00 0.00 ATOM 148 CA ASN A 21 17.990 -1.491 -7.201 1.00 0.00 ATOM 149 CB ASN A 21 18.936 -0.528 -6.535 1.00 0.00 ATOM 150 CG ASN A 21 18.552 -0.236 -5.055 1.00 0.00 ATOM 151 ND2 ASN A 21 18.278 1.023 -4.770 1.00 0.00 ATOM 152 OD1 ASN A 21 18.536 -1.154 -4.169 1.00 0.00 ATOM 153 O ASN A 21 15.833 -0.808 -6.431 1.00 0.00 ATOM 154 C ASN A 21 16.743 -0.605 -7.214 1.00 0.00 ATOM 155 N TRP A 22 16.671 0.367 -8.110 1.00 0.00 ATOM 156 CA TRP A 22 15.510 1.238 -8.254 1.00 0.00 ATOM 157 CB TRP A 22 15.817 2.457 -9.115 1.00 0.00 ATOM 158 CG TRP A 22 16.578 3.487 -8.345 1.00 0.00 ATOM 159 CD1 TRP A 22 17.910 3.788 -8.418 1.00 0.00 ATOM 160 CD2 TRP A 22 16.007 4.359 -7.365 1.00 0.00 ATOM 161 CE2 TRP A 22 17.078 5.163 -6.862 1.00 0.00 ATOM 162 CE3 TRP A 22 14.695 4.514 -6.893 1.00 0.00 ATOM 163 NE1 TRP A 22 18.229 4.807 -7.534 1.00 0.00 ATOM 164 CZ2 TRP A 22 16.845 6.150 -5.914 1.00 0.00 ATOM 165 CZ3 TRP A 22 14.478 5.452 -5.919 1.00 0.00 ATOM 166 CH2 TRP A 22 15.547 6.262 -5.456 1.00 0.00 ATOM 167 O TRP A 22 13.178 0.721 -8.264 1.00 0.00 ATOM 168 C TRP A 22 14.292 0.454 -8.712 1.00 0.00 ATOM 169 N SER A 23 14.516 -0.512 -9.597 1.00 0.00 ATOM 170 CA SER A 23 13.448 -1.346 -10.128 1.00 0.00 ATOM 171 CB SER A 23 13.967 -2.210 -11.278 1.00 0.00 ATOM 172 OG SER A 23 14.357 -1.409 -12.379 1.00 0.00 ATOM 173 O SER A 23 11.706 -2.428 -8.882 1.00 0.00 ATOM 174 C SER A 23 12.915 -2.233 -9.005 1.00 0.00 ATOM 175 N ARG A 24 13.819 -2.709 -8.172 1.00 0.00 ATOM 176 CA ARG A 24 13.443 -3.572 -7.057 1.00 0.00 ATOM 177 CB ARG A 24 14.729 -3.686 -6.015 1.00 0.00 ATOM 178 CG ARG A 24 15.198 -5.031 -5.471 1.00 0.00 ATOM 179 CD ARG A 24 16.280 -4.856 -4.433 1.00 0.00 ATOM 180 NE ARG A 24 17.493 -4.224 -4.961 1.00 0.00 ATOM 181 CZ ARG A 24 18.443 -4.864 -5.643 1.00 0.00 ATOM 182 NH1 ARG A 24 18.330 -6.164 -5.907 1.00 0.00 ATOM 183 NH2 ARG A 24 19.518 -4.199 -6.056 1.00 0.00 ATOM 184 O ARG A 24 11.638 -3.288 -5.499 1.00 0.00 ATOM 185 C ARG A 24 12.615 -2.783 -6.041 1.00 0.00 ATOM 186 N GLY A 25 13.016 -1.535 -5.793 1.00 0.00 ATOM 187 CA GLY A 25 12.287 -0.704 -4.852 1.00 0.00 ATOM 188 O GLY A 25 9.907 -0.519 -4.551 1.00 0.00 ATOM 189 C GLY A 25 10.856 -0.440 -5.331 1.00 0.00 ATOM 190 N PHE A 26 10.690 -0.124 -6.610 1.00 0.00 ATOM 191 CA PHE A 26 9.347 0.122 -7.120 1.00 0.00 ATOM 192 CB PHE A 26 9.382 0.627 -8.529 1.00 0.00 ATOM 193 CG PHE A 26 8.033 0.948 -9.084 1.00 0.00 ATOM 194 CD1 PHE A 26 7.405 2.143 -8.763 1.00 0.00 ATOM 195 CD2 PHE A 26 7.392 0.059 -9.944 1.00 0.00 ATOM 196 CE1 PHE A 26 6.145 2.457 -9.306 1.00 0.00 ATOM 197 CE2 PHE A 26 6.139 0.358 -10.491 1.00 0.00 ATOM 198 CZ PHE A 26 5.521 1.557 -10.173 1.00 0.00 ATOM 199 O PHE A 26 7.329 -1.112 -6.725 1.00 0.00 ATOM 200 C PHE A 26 8.513 -1.153 -7.048 1.00 0.00 ATOM 201 N GLY A 27 9.145 -2.282 -7.358 1.00 0.00 ATOM 202 CA GLY A 27 8.469 -3.575 -7.343 1.00 0.00 ATOM 203 O GLY A 27 6.820 -4.323 -5.742 1.00 0.00 ATOM 204 C GLY A 27 7.962 -3.891 -5.938 1.00 0.00 ATOM 205 N ARG A 28 8.820 -3.671 -4.949 1.00 0.00 ATOM 206 CA ARG A 28 8.444 -3.930 -3.562 1.00 0.00 ATOM 207 CB ARG A 28 9.480 -3.607 -2.574 1.00 0.00 ATOM 208 CG ARG A 28 10.446 -4.765 -2.375 1.00 0.00 ATOM 209 CD ARG A 28 11.541 -4.408 -1.388 1.00 0.00 ATOM 210 NE ARG A 28 12.395 -3.329 -1.888 1.00 0.00 ATOM 211 CZ ARG A 28 13.705 -3.253 -1.669 1.00 0.00 ATOM 212 NH1 ARG A 28 14.317 -4.192 -0.955 1.00 0.00 ATOM 213 NH2 ARG A 28 14.406 -2.249 -2.176 1.00 0.00 ATOM 214 O ARG A 28 6.329 -3.519 -2.471 1.00 0.00 ATOM 215 C ARG A 28 7.261 -3.052 -3.132 1.00 0.00 ATOM 216 N GLN A 29 7.295 -1.785 -3.515 1.00 0.00 ATOM 217 CA GLN A 29 6.229 -0.850 -3.176 1.00 0.00 ATOM 218 CB GLN A 29 6.766 0.613 -3.382 1.00 0.00 ATOM 219 CG GLN A 29 7.863 1.012 -2.354 1.00 0.00 ATOM 220 CD GLN A 29 7.403 0.901 -0.915 1.00 0.00 ATOM 221 OE1 GLN A 29 6.228 1.099 -0.605 1.00 0.00 ATOM 222 NE2 GLN A 29 8.374 0.555 -0.086 1.00 0.00 ATOM 223 O GLN A 29 3.836 -0.844 -3.384 1.00 0.00 ATOM 224 C GLN A 29 4.917 -1.220 -3.854 1.00 0.00 ATOM 225 N ILE A 30 5.002 -1.966 -4.948 1.00 0.00 ATOM 226 CA ILE A 30 3.810 -2.368 -5.690 1.00 0.00 ATOM 227 CB ILE A 30 4.014 -2.254 -7.213 1.00 0.00 ATOM 228 CG1 ILE A 30 5.119 -3.206 -7.675 1.00 0.00 ATOM 229 CG2 ILE A 30 4.410 -0.835 -7.590 1.00 0.00 ATOM 230 CD1 ILE A 30 5.245 -3.312 -9.179 1.00 0.00 ATOM 231 O ILE A 30 2.409 -4.310 -5.909 1.00 0.00 ATOM 232 C ILE A 30 3.422 -3.820 -5.401 1.00 0.00 ATOM 233 N GLY A 31 4.314 -4.510 -4.564 1.00 0.00 ATOM 234 CA GLY A 31 4.025 -5.896 -4.239 1.00 0.00 ATOM 235 O GLY A 31 5.602 -6.521 -5.921 1.00 0.00 ATOM 236 C GLY A 31 5.042 -6.833 -4.867 1.00 0.00 ATOM 237 N PRO A 32 5.295 -7.974 -4.228 1.00 0.00 ATOM 238 CA PRO A 32 6.302 -8.919 -4.726 1.00 0.00 ATOM 239 CB PRO A 32 6.435 -9.936 -3.601 1.00 0.00 ATOM 240 CG PRO A 32 5.089 -9.899 -2.923 1.00 0.00 ATOM 241 CD PRO A 32 4.547 -8.497 -3.081 1.00 0.00 ATOM 242 O PRO A 32 4.733 -9.865 -6.295 1.00 0.00 ATOM 243 C PRO A 32 5.916 -9.641 -6.020 1.00 0.00 ATOM 244 N LEU A 33 6.928 -9.949 -6.827 1.00 0.00 ATOM 245 CA LEU A 33 6.776 -10.825 -7.980 1.00 0.00 ATOM 246 CB LEU A 33 7.304 -10.157 -9.257 1.00 0.00 ATOM 247 CG LEU A 33 6.804 -8.740 -9.583 1.00 0.00 ATOM 248 CD1 LEU A 33 7.508 -8.188 -10.818 1.00 0.00 ATOM 249 CD2 LEU A 33 5.289 -8.697 -9.769 1.00 0.00 ATOM 250 O LEU A 33 9.004 -11.247 -7.260 1.00 0.00 ATOM 251 C LEU A 33 8.043 -11.644 -7.918 1.00 0.00 ATOM 252 N PHE A 34 8.156 -12.836 -8.635 1.00 0.00 ATOM 253 CA PHE A 34 9.328 -13.706 -8.658 1.00 0.00 ATOM 254 CB PHE A 34 8.887 -14.987 -7.941 1.00 0.00 ATOM 255 CG PHE A 34 8.435 -14.765 -6.527 1.00 0.00 ATOM 256 CD1 PHE A 34 7.101 -14.536 -6.240 1.00 0.00 ATOM 257 CD2 PHE A 34 9.344 -14.786 -5.484 1.00 0.00 ATOM 258 CE1 PHE A 34 6.683 -14.333 -4.937 1.00 0.00 ATOM 259 CE2 PHE A 34 8.927 -14.583 -4.181 1.00 0.00 ATOM 260 CZ PHE A 34 7.604 -14.357 -3.906 1.00 0.00 ATOM 261 O PHE A 34 9.280 -13.801 -11.066 1.00 0.00 ATOM 262 C PHE A 34 9.955 -13.938 -10.039 1.00 0.00 ATOM 263 N GLU A 35 11.246 -14.271 -10.056 1.00 0.00 ATOM 264 CA GLU A 35 11.958 -14.554 -11.307 1.00 0.00 ATOM 265 CB GLU A 35 13.320 -13.849 -11.382 1.00 0.00 ATOM 266 CG GLU A 35 14.219 -14.338 -12.510 1.00 0.00 ATOM 267 CD GLU A 35 15.551 -13.621 -12.545 1.00 0.00 ATOM 268 OE1 GLU A 35 15.991 -13.150 -11.479 1.00 0.00 ATOM 269 OE2 GLU A 35 16.159 -13.543 -13.633 1.00 0.00 ATOM 270 O GLU A 35 12.525 -16.757 -10.546 1.00 0.00 ATOM 271 C GLU A 35 12.003 -16.075 -11.420 1.00 0.00 ATOM 272 N HIS A 36 11.447 -16.597 -12.502 1.00 0.00 ATOM 273 CA HIS A 36 11.400 -18.043 -12.722 1.00 0.00 ATOM 274 CB HIS A 36 10.015 -18.391 -13.283 1.00 0.00 ATOM 275 CG HIS A 36 9.822 -19.866 -13.535 1.00 0.00 ATOM 276 CD2 HIS A 36 9.811 -20.561 -14.693 1.00 0.00 ATOM 277 ND1 HIS A 36 9.636 -20.798 -12.515 1.00 0.00 ATOM 278 CE1 HIS A 36 9.543 -21.998 -13.066 1.00 0.00 ATOM 279 NE2 HIS A 36 9.639 -21.895 -14.376 1.00 0.00 ATOM 280 O HIS A 36 13.195 -19.517 -13.348 1.00 0.00 ATOM 281 C HIS A 36 12.575 -18.488 -13.595 1.00 0.00 ATOM 282 N ARG A 37 12.875 -17.688 -14.610 1.00 0.00 ATOM 283 CA ARG A 37 13.946 -17.993 -15.545 1.00 0.00 ATOM 284 CB ARG A 37 13.412 -18.886 -16.666 1.00 0.00 ATOM 285 CG ARG A 37 14.490 -19.442 -17.583 1.00 0.00 ATOM 286 CD ARG A 37 13.894 -20.350 -18.648 1.00 0.00 ATOM 287 NE ARG A 37 14.890 -20.755 -19.638 1.00 0.00 ATOM 288 CZ ARG A 37 14.725 -21.759 -20.492 1.00 0.00 ATOM 289 NH1 ARG A 37 15.685 -22.057 -21.357 1.00 0.00 ATOM 290 NH2 ARG A 37 13.602 -22.465 -20.479 1.00 0.00 ATOM 291 O ARG A 37 13.804 -15.716 -16.190 1.00 0.00 ATOM 292 C ARG A 37 14.518 -16.677 -16.023 1.00 0.00 ATOM 293 N GLU A 38 15.807 -16.604 -16.262 1.00 0.00 ATOM 294 CA GLU A 38 16.333 -15.444 -16.966 1.00 0.00 ATOM 295 CB GLU A 38 17.029 -14.468 -16.028 1.00 0.00 ATOM 296 CG GLU A 38 18.396 -14.860 -15.444 1.00 0.00 ATOM 297 CD GLU A 38 18.307 -15.835 -14.280 1.00 0.00 ATOM 298 OE1 GLU A 38 19.223 -16.677 -14.148 1.00 0.00 ATOM 299 OE2 GLU A 38 17.341 -15.758 -13.486 1.00 0.00 ATOM 300 O GLU A 38 18.254 -16.805 -17.362 1.00 0.00 ATOM 301 C GLU A 38 17.595 -15.826 -17.705 1.00 0.00 ATOM 302 N GLY A 39 17.918 -15.110 -18.706 1.00 0.00 ATOM 303 CA GLY A 39 19.109 -15.357 -19.492 1.00 0.00 ATOM 304 O GLY A 39 18.558 -13.216 -20.315 1.00 0.00 ATOM 305 C GLY A 39 19.291 -14.184 -20.413 1.00 0.00 ATOM 306 N PRO A 40 20.273 -14.266 -21.297 1.00 0.00 ATOM 307 CA PRO A 40 20.574 -13.177 -22.219 1.00 0.00 ATOM 308 CB PRO A 40 21.687 -13.739 -23.104 1.00 0.00 ATOM 309 CG PRO A 40 22.343 -14.782 -22.262 1.00 0.00 ATOM 310 CD PRO A 40 21.238 -15.451 -21.493 1.00 0.00 ATOM 311 O PRO A 40 18.984 -13.426 -23.997 1.00 0.00 ATOM 312 C PRO A 40 19.416 -12.712 -23.099 1.00 0.00 ATOM 313 N GLY A 41 18.934 -11.502 -22.819 1.00 0.00 ATOM 314 CA GLY A 41 17.852 -10.922 -23.585 1.00 0.00 ATOM 315 O GLY A 41 15.492 -10.845 -23.803 1.00 0.00 ATOM 316 C GLY A 41 16.442 -11.306 -23.178 1.00 0.00 ATOM 317 N GLN A 42 16.284 -12.129 -22.150 1.00 0.00 ATOM 318 CA GLN A 42 14.946 -12.523 -21.734 1.00 0.00 ATOM 319 CB GLN A 42 14.529 -13.786 -22.494 1.00 0.00 ATOM 320 CG GLN A 42 15.371 -15.007 -22.176 1.00 0.00 ATOM 321 CD GLN A 42 14.949 -16.230 -22.966 1.00 0.00 ATOM 322 OE1 GLN A 42 13.977 -16.187 -23.722 1.00 0.00 ATOM 323 NE2 GLN A 42 15.676 -17.326 -22.795 1.00 0.00 ATOM 324 O GLN A 42 15.741 -13.251 -19.589 1.00 0.00 ATOM 325 C GLN A 42 14.790 -12.850 -20.263 1.00 0.00 ATOM 326 N ALA A 43 13.575 -12.663 -19.768 1.00 0.00 ATOM 327 CA ALA A 43 13.268 -12.954 -18.374 1.00 0.00 ATOM 328 CB ALA A 43 13.383 -11.703 -17.511 1.00 0.00 ATOM 329 O ALA A 43 10.930 -12.929 -18.913 1.00 0.00 ATOM 330 C ALA A 43 11.827 -13.436 -18.248 1.00 0.00 ATOM 331 N ARG A 44 11.628 -14.433 -17.406 1.00 0.00 ATOM 332 CA ARG A 44 10.308 -14.980 -17.156 1.00 0.00 ATOM 333 CB ARG A 44 10.284 -16.468 -17.513 1.00 0.00 ATOM 334 CG ARG A 44 8.929 -17.128 -17.328 1.00 0.00 ATOM 335 CD ARG A 44 8.966 -18.591 -17.742 1.00 0.00 ATOM 336 NE ARG A 44 7.676 -19.247 -17.546 1.00 0.00 ATOM 337 CZ ARG A 44 7.408 -20.495 -17.918 1.00 0.00 ATOM 338 NH1 ARG A 44 6.206 -21.009 -17.699 1.00 0.00 ATOM 339 NH2 ARG A 44 8.345 -21.225 -18.509 1.00 0.00 ATOM 340 O ARG A 44 10.795 -15.287 -14.841 1.00 0.00 ATOM 341 C ARG A 44 10.055 -14.767 -15.668 1.00 0.00 ATOM 342 N LEU A 45 9.047 -13.968 -15.337 1.00 0.00 ATOM 343 CA LEU A 45 8.701 -13.697 -13.948 1.00 0.00 ATOM 344 CB LEU A 45 8.540 -12.209 -13.662 1.00 0.00 ATOM 345 CG LEU A 45 9.730 -11.263 -13.871 1.00 0.00 ATOM 346 CD1 LEU A 45 9.508 -9.967 -13.111 1.00 0.00 ATOM 347 CD2 LEU A 45 11.037 -11.890 -13.463 1.00 0.00 ATOM 348 O LEU A 45 6.514 -14.393 -14.610 1.00 0.00 ATOM 349 C LEU A 45 7.271 -14.126 -13.683 1.00 0.00 ATOM 350 N ALA A 46 6.892 -14.246 -12.414 1.00 0.00 ATOM 351 CA ALA A 46 5.544 -14.667 -12.046 1.00 0.00 ATOM 352 CB ALA A 46 5.560 -16.094 -11.524 1.00 0.00 ATOM 353 O ALA A 46 5.627 -13.420 -10.015 1.00 0.00 ATOM 354 C ALA A 46 4.925 -13.851 -10.943 1.00 0.00 ATOM 355 N PHE A 47 3.559 -13.608 -11.020 1.00 0.00 ATOM 356 CA PHE A 47 2.906 -12.923 -9.926 1.00 0.00 ATOM 357 CB PHE A 47 2.785 -11.473 -10.398 1.00 0.00 ATOM 358 CG PHE A 47 2.051 -10.583 -9.438 1.00 0.00 ATOM 359 CD1 PHE A 47 2.702 -10.026 -8.352 1.00 0.00 ATOM 360 CD2 PHE A 47 0.708 -10.302 -9.619 1.00 0.00 ATOM 361 CE1 PHE A 47 2.030 -9.204 -7.468 1.00 0.00 ATOM 362 CE2 PHE A 47 0.035 -9.480 -8.734 1.00 0.00 ATOM 363 CZ PHE A 47 0.690 -8.933 -7.664 1.00 0.00 ATOM 364 O PHE A 47 0.815 -13.811 -10.701 1.00 0.00 ATOM 365 C PHE A 47 1.500 -13.489 -9.727 1.00 0.00 ATOM 366 N ARG A 48 1.069 -13.604 -8.473 1.00 0.00 ATOM 367 CA ARG A 48 -0.279 -14.105 -8.181 1.00 0.00 ATOM 368 CB ARG A 48 -0.300 -14.833 -6.848 1.00 0.00 ATOM 369 CG ARG A 48 -1.715 -15.215 -6.453 1.00 0.00 ATOM 370 CD ARG A 48 -1.709 -15.771 -5.046 1.00 0.00 ATOM 371 NE ARG A 48 -3.052 -16.057 -4.542 1.00 0.00 ATOM 372 CZ ARG A 48 -3.640 -17.248 -4.581 1.00 0.00 ATOM 373 NH1 ARG A 48 -3.029 -18.303 -5.111 1.00 0.00 ATOM 374 NH2 ARG A 48 -4.866 -17.373 -4.084 1.00 0.00 ATOM 375 O ARG A 48 -0.885 -12.003 -7.203 1.00 0.00 ATOM 376 C ARG A 48 -1.204 -12.909 -7.973 1.00 0.00 ATOM 377 N VAL A 49 -2.330 -12.894 -8.685 1.00 0.00 ATOM 378 CA VAL A 49 -3.308 -11.813 -8.580 1.00 0.00 ATOM 379 CB VAL A 49 -4.350 -11.878 -9.711 1.00 0.00 ATOM 380 CG1 VAL A 49 -5.422 -10.820 -9.511 1.00 0.00 ATOM 381 CG2 VAL A 49 -3.687 -11.643 -11.060 1.00 0.00 ATOM 382 O VAL A 49 -4.633 -12.984 -6.955 1.00 0.00 ATOM 383 C VAL A 49 -4.056 -11.936 -7.254 1.00 0.00 ATOM 384 N GLU A 50 -4.079 -10.855 -6.492 1.00 0.00 ATOM 385 CA GLU A 50 -4.755 -10.843 -5.208 1.00 0.00 ATOM 386 CB GLU A 50 -3.824 -10.274 -4.136 1.00 0.00 ATOM 387 CG GLU A 50 -2.582 -11.113 -3.883 1.00 0.00 ATOM 388 CD GLU A 50 -1.711 -10.545 -2.781 1.00 0.00 ATOM 389 OE1 GLU A 50 -2.070 -9.489 -2.223 1.00 0.00 ATOM 390 OE2 GLU A 50 -0.668 -11.160 -2.474 1.00 0.00 ATOM 391 O GLU A 50 -6.155 -9.156 -6.171 1.00 0.00 ATOM 392 C GLU A 50 -6.008 -9.976 -5.264 1.00 0.00 ATOM 393 N GLU A 51 -6.926 -10.180 -4.323 1.00 0.00 ATOM 394 CA GLU A 51 -8.174 -9.416 -4.295 1.00 0.00 ATOM 395 CB GLU A 51 -8.995 -9.771 -3.052 1.00 0.00 ATOM 396 CG GLU A 51 -10.359 -9.106 -2.997 1.00 0.00 ATOM 397 CD GLU A 51 -11.182 -9.559 -1.807 1.00 0.00 ATOM 398 OE1 GLU A 51 -10.689 -10.409 -1.036 1.00 0.00 ATOM 399 OE2 GLU A 51 -12.315 -9.063 -1.644 1.00 0.00 ATOM 400 O GLU A 51 -8.761 -7.136 -4.762 1.00 0.00 ATOM 401 C GLU A 51 -7.947 -7.909 -4.260 1.00 0.00 ATOM 402 N HIS A 52 -6.820 -7.501 -3.682 1.00 0.00 ATOM 403 CA HIS A 52 -6.477 -6.084 -3.568 1.00 0.00 ATOM 404 CB HIS A 52 -5.261 -5.935 -2.645 1.00 0.00 ATOM 405 CG HIS A 52 -5.623 -6.323 -1.252 1.00 0.00 ATOM 406 CD2 HIS A 52 -5.274 -7.375 -0.522 1.00 0.00 ATOM 407 ND1 HIS A 52 -6.569 -5.595 -0.547 1.00 0.00 ATOM 408 CE1 HIS A 52 -6.709 -6.202 0.642 1.00 0.00 ATOM 409 NE2 HIS A 52 -5.902 -7.275 0.690 1.00 0.00 ATOM 410 O HIS A 52 -6.424 -4.193 -5.055 1.00 0.00 ATOM 411 C HIS A 52 -6.248 -5.406 -4.922 1.00 0.00 ATOM 412 N HIS A 53 -5.823 -6.168 -5.922 1.00 0.00 ATOM 413 CA HIS A 53 -5.572 -5.572 -7.227 1.00 0.00 ATOM 414 CB HIS A 53 -4.300 -6.218 -7.856 1.00 0.00 ATOM 415 CG HIS A 53 -3.004 -5.922 -7.174 1.00 0.00 ATOM 416 CD2 HIS A 53 -2.283 -6.635 -6.277 1.00 0.00 ATOM 417 ND1 HIS A 53 -2.329 -4.733 -7.351 1.00 0.00 ATOM 418 CE1 HIS A 53 -1.249 -4.726 -6.591 1.00 0.00 ATOM 419 NE2 HIS A 53 -1.197 -5.869 -5.930 1.00 0.00 ATOM 420 O HIS A 53 -6.518 -5.475 -9.426 1.00 0.00 ATOM 421 C HIS A 53 -6.704 -5.720 -8.233 1.00 0.00 ATOM 422 N THR A 54 -7.893 -6.076 -7.753 1.00 0.00 ATOM 423 CA THR A 54 -9.038 -6.236 -8.650 1.00 0.00 ATOM 424 CB THR A 54 -10.004 -7.312 -8.121 1.00 0.00 ATOM 425 CG2 THR A 54 -9.301 -8.660 -8.031 1.00 0.00 ATOM 426 OG1 THR A 54 -10.467 -6.942 -6.817 1.00 0.00 ATOM 427 O THR A 54 -10.037 -4.184 -7.882 1.00 0.00 ATOM 428 C THR A 54 -9.844 -4.950 -8.828 1.00 0.00 ATOM 429 N ASN A 55 -10.303 -4.708 -10.049 1.00 0.00 ATOM 430 CA ASN A 55 -11.090 -3.521 -10.323 1.00 0.00 ATOM 431 CB ASN A 55 -10.932 -3.097 -11.785 1.00 0.00 ATOM 432 CG ASN A 55 -11.502 -4.114 -12.752 1.00 0.00 ATOM 433 ND2 ASN A 55 -11.213 -3.936 -14.036 1.00 0.00 ATOM 434 OD1 ASN A 55 -12.196 -5.049 -12.347 1.00 0.00 ATOM 435 O ASN A 55 -12.866 -4.793 -9.356 1.00 0.00 ATOM 436 C ASN A 55 -12.550 -3.816 -10.032 1.00 0.00 ATOM 437 N GLY A 56 -13.437 -2.972 -10.551 1.00 0.00 ATOM 438 CA GLY A 56 -14.862 -3.157 -10.331 1.00 0.00 ATOM 439 O GLY A 56 -16.362 -5.046 -10.603 1.00 0.00 ATOM 440 C GLY A 56 -15.328 -4.507 -10.938 1.00 0.00 ATOM 441 N LEU A 57 -14.563 -5.113 -11.827 1.00 0.00 ATOM 442 CA LEU A 57 -14.939 -6.373 -12.494 1.00 0.00 ATOM 443 CB LEU A 57 -14.349 -6.387 -13.911 1.00 0.00 ATOM 444 CG LEU A 57 -14.869 -5.298 -14.853 1.00 0.00 ATOM 445 CD1 LEU A 57 -14.090 -5.329 -16.160 1.00 0.00 ATOM 446 CD2 LEU A 57 -16.356 -5.507 -15.095 1.00 0.00 ATOM 447 O LEU A 57 -14.784 -8.744 -12.210 1.00 0.00 ATOM 448 C LEU A 57 -14.469 -7.612 -11.794 1.00 0.00 ATOM 449 N GLY A 58 -13.706 -7.459 -10.726 1.00 0.00 ATOM 450 CA GLY A 58 -13.135 -8.619 -10.036 1.00 0.00 ATOM 451 O GLY A 58 -11.381 -10.232 -10.386 1.00 0.00 ATOM 452 C GLY A 58 -11.870 -9.147 -10.716 1.00 0.00 ATOM 453 N ASN A 59 -11.338 -8.392 -11.671 1.00 0.00 ATOM 454 CA ASN A 59 -10.115 -8.807 -12.351 1.00 0.00 ATOM 455 CB ASN A 59 -10.407 -8.751 -13.853 1.00 0.00 ATOM 456 CG ASN A 59 -11.524 -9.689 -14.263 1.00 0.00 ATOM 457 ND2 ASN A 59 -12.660 -9.123 -14.650 1.00 0.00 ATOM 458 OD1 ASN A 59 -11.364 -10.911 -14.234 1.00 0.00 ATOM 459 O ASN A 59 -9.103 -6.737 -11.691 1.00 0.00 ATOM 460 C ASN A 59 -8.933 -7.896 -12.065 1.00 0.00 ATOM 461 N CYS A 60 -7.734 -8.427 -12.231 1.00 0.00 ATOM 462 CA CYS A 60 -6.529 -7.653 -11.988 1.00 0.00 ATOM 463 CB CYS A 60 -5.372 -8.202 -12.503 1.00 0.00 ATOM 464 SG CYS A 60 -5.177 -9.006 -14.085 1.00 0.00 ATOM 465 O CYS A 60 -6.758 -6.417 -14.027 1.00 0.00 ATOM 466 C CYS A 60 -6.583 -6.365 -12.811 1.00 0.00 ATOM 467 N HIS A 61 -6.418 -5.211 -12.165 1.00 0.00 ATOM 468 CA HIS A 61 -6.466 -3.952 -12.905 1.00 0.00 ATOM 469 CB HIS A 61 -6.380 -2.700 -11.938 1.00 0.00 ATOM 470 CG HIS A 61 -6.978 -1.448 -12.516 1.00 0.00 ATOM 471 CD2 HIS A 61 -7.818 -0.477 -12.033 1.00 0.00 ATOM 472 ND1 HIS A 61 -6.399 -0.899 -13.552 1.00 0.00 ATOM 473 CE1 HIS A 61 -7.178 -0.017 -14.155 1.00 0.00 ATOM 474 NE2 HIS A 61 -7.955 0.379 -13.154 1.00 0.00 ATOM 475 O HIS A 61 -4.238 -4.510 -13.606 1.00 0.00 ATOM 476 C HIS A 61 -5.259 -3.862 -13.837 1.00 0.00 ATOM 477 N GLY A 62 -5.356 -3.018 -14.851 1.00 0.00 ATOM 478 CA GLY A 62 -4.267 -2.866 -15.802 1.00 0.00 ATOM 479 O GLY A 62 -1.903 -2.631 -15.646 1.00 0.00 ATOM 480 C GLY A 62 -2.991 -2.350 -15.160 1.00 0.00 ATOM 481 N GLY A 63 -3.124 -1.605 -14.068 1.00 0.00 ATOM 482 CA GLY A 63 -1.961 -1.055 -13.399 1.00 0.00 ATOM 483 O GLY A 63 0.156 -2.116 -13.043 1.00 0.00 ATOM 484 C GLY A 63 -1.061 -2.156 -12.861 1.00 0.00 ATOM 485 N MET A 64 -1.659 -3.138 -12.215 1.00 0.00 ATOM 486 CA MET A 64 -0.896 -4.255 -11.662 1.00 0.00 ATOM 487 CB MET A 64 -1.830 -5.197 -10.890 1.00 0.00 ATOM 488 CG MET A 64 -1.169 -6.443 -10.291 1.00 0.00 ATOM 489 SD MET A 64 -1.012 -7.827 -11.454 1.00 0.00 ATOM 490 CE MET A 64 -2.723 -8.378 -11.554 1.00 0.00 ATOM 491 O MET A 64 0.943 -5.412 -12.660 1.00 0.00 ATOM 492 C MET A 64 -0.218 -5.030 -12.783 1.00 0.00 ATOM 493 N LEU A 65 -0.942 -5.249 -13.872 1.00 0.00 ATOM 494 CA LEU A 65 -0.388 -5.955 -15.008 1.00 0.00 ATOM 495 CB LEU A 65 -1.449 -6.106 -16.101 1.00 0.00 ATOM 496 CG LEU A 65 -2.610 -7.055 -15.794 1.00 0.00 ATOM 497 CD1 LEU A 65 -3.673 -6.969 -16.876 1.00 0.00 ATOM 498 CD2 LEU A 65 -2.121 -8.493 -15.719 1.00 0.00 ATOM 499 O LEU A 65 1.820 -5.755 -15.917 1.00 0.00 ATOM 500 C LEU A 65 0.798 -5.179 -15.576 1.00 0.00 ATOM 501 N MET A 66 0.673 -3.863 -15.640 1.00 0.00 ATOM 502 CA MET A 66 1.751 -3.046 -16.167 1.00 0.00 ATOM 503 CB MET A 66 1.285 -1.604 -16.390 1.00 0.00 ATOM 504 CG MET A 66 0.352 -1.420 -17.600 1.00 0.00 ATOM 505 SD MET A 66 1.115 -1.778 -19.215 1.00 0.00 ATOM 506 CE MET A 66 2.397 -0.563 -19.248 1.00 0.00 ATOM 507 O MET A 66 4.105 -3.222 -15.731 1.00 0.00 ATOM 508 C MET A 66 2.974 -3.146 -15.257 1.00 0.00 ATOM 509 N SER A 67 2.748 -3.122 -13.948 1.00 0.00 ATOM 510 CA SER A 67 3.856 -3.215 -12.994 1.00 0.00 ATOM 511 CB SER A 67 3.338 -3.089 -11.559 1.00 0.00 ATOM 512 OG SER A 67 2.830 -1.789 -11.312 1.00 0.00 ATOM 513 O SER A 67 5.812 -4.606 -13.070 1.00 0.00 ATOM 514 C SER A 67 4.582 -4.549 -13.099 1.00 0.00 ATOM 515 N PHE A 68 3.823 -5.622 -13.282 1.00 0.00 ATOM 516 CA PHE A 68 4.416 -6.939 -13.427 1.00 0.00 ATOM 517 CB PHE A 68 3.340 -7.994 -13.524 1.00 0.00 ATOM 518 CG PHE A 68 3.841 -9.386 -13.823 1.00 0.00 ATOM 519 CD1 PHE A 68 4.384 -10.190 -12.840 1.00 0.00 ATOM 520 CD2 PHE A 68 3.678 -9.922 -15.092 1.00 0.00 ATOM 521 CE1 PHE A 68 4.828 -11.518 -13.138 1.00 0.00 ATOM 522 CE2 PHE A 68 4.094 -11.222 -15.366 1.00 0.00 ATOM 523 CZ PHE A 68 4.658 -12.007 -14.376 1.00 0.00 ATOM 524 O PHE A 68 6.466 -7.387 -14.627 1.00 0.00 ATOM 525 C PHE A 68 5.305 -6.958 -14.678 1.00 0.00 ATOM 526 N ALA A 69 4.754 -6.479 -15.791 1.00 0.00 ATOM 527 CA ALA A 69 5.489 -6.439 -17.056 1.00 0.00 ATOM 528 CB ALA A 69 4.615 -5.873 -18.162 1.00 0.00 ATOM 529 O ALA A 69 7.810 -5.898 -17.408 1.00 0.00 ATOM 530 C ALA A 69 6.734 -5.566 -16.911 1.00 0.00 ATOM 531 N ASP A 70 6.583 -4.413 -16.235 1.00 0.00 ATOM 532 CA ASP A 70 7.692 -3.488 -16.066 1.00 0.00 ATOM 533 CB ASP A 70 7.206 -2.168 -15.405 1.00 0.00 ATOM 534 CG ASP A 70 6.098 -1.461 -16.168 1.00 0.00 ATOM 535 OD1 ASP A 70 5.830 -1.861 -17.318 1.00 0.00 ATOM 536 OD2 ASP A 70 5.491 -0.510 -15.627 1.00 0.00 ATOM 537 O ASP A 70 9.992 -3.903 -15.528 1.00 0.00 ATOM 538 C ASP A 70 8.814 -4.086 -15.230 1.00 0.00 ATOM 539 N MET A 71 8.438 -4.803 -14.171 1.00 0.00 ATOM 540 CA MET A 71 9.430 -5.411 -13.297 1.00 0.00 ATOM 541 CB MET A 71 8.797 -6.130 -12.127 1.00 0.00 ATOM 542 CG MET A 71 8.174 -5.157 -11.123 1.00 0.00 ATOM 543 SD MET A 71 9.369 -3.932 -10.485 1.00 0.00 ATOM 544 CE MET A 71 9.082 -2.512 -11.602 1.00 0.00 ATOM 545 O MET A 71 11.462 -6.583 -13.860 1.00 0.00 ATOM 546 C MET A 71 10.243 -6.493 -14.028 1.00 0.00 ATOM 547 N ALA A 72 9.571 -7.308 -14.857 1.00 0.00 ATOM 548 CA ALA A 72 10.240 -8.358 -15.623 1.00 0.00 ATOM 549 CB ALA A 72 9.208 -9.316 -16.206 1.00 0.00 ATOM 550 O ALA A 72 12.295 -8.190 -16.863 1.00 0.00 ATOM 551 C ALA A 72 11.175 -7.713 -16.636 1.00 0.00 ATOM 552 N TRP A 73 10.734 -6.596 -17.251 1.00 0.00 ATOM 553 CA TRP A 73 11.590 -5.855 -18.180 1.00 0.00 ATOM 554 CB TRP A 73 10.777 -4.686 -18.743 1.00 0.00 ATOM 555 CG TRP A 73 9.648 -5.115 -19.630 1.00 0.00 ATOM 556 CD1 TRP A 73 9.426 -6.365 -20.130 1.00 0.00 ATOM 557 CD2 TRP A 73 8.586 -4.290 -20.125 1.00 0.00 ATOM 558 CE2 TRP A 73 7.757 -5.108 -20.917 1.00 0.00 ATOM 559 CE3 TRP A 73 8.255 -2.940 -19.976 1.00 0.00 ATOM 560 NE1 TRP A 73 8.291 -6.373 -20.902 1.00 0.00 ATOM 561 CZ2 TRP A 73 6.618 -4.622 -21.556 1.00 0.00 ATOM 562 CZ3 TRP A 73 7.123 -2.461 -20.611 1.00 0.00 ATOM 563 CH2 TRP A 73 6.319 -3.295 -21.394 1.00 0.00 ATOM 564 O TRP A 73 13.928 -5.362 -18.067 1.00 0.00 ATOM 565 C TRP A 73 12.838 -5.293 -17.507 1.00 0.00 ATOM 566 N GLY A 74 12.673 -4.735 -16.306 1.00 0.00 ATOM 567 CA GLY A 74 13.808 -4.199 -15.574 1.00 0.00 ATOM 568 O GLY A 74 16.017 -5.102 -15.391 1.00 0.00 ATOM 569 C GLY A 74 14.807 -5.303 -15.281 1.00 0.00 ATOM 570 N ARG A 75 14.313 -6.499 -14.934 1.00 0.00 ATOM 571 CA ARG A 75 15.194 -7.623 -14.642 1.00 0.00 ATOM 572 CB ARG A 75 14.397 -8.785 -14.035 1.00 0.00 ATOM 573 CG ARG A 75 14.009 -8.492 -12.598 1.00 0.00 ATOM 574 CD ARG A 75 13.101 -9.541 -12.013 1.00 0.00 ATOM 575 NE ARG A 75 12.799 -9.229 -10.618 1.00 0.00 ATOM 576 CZ ARG A 75 11.790 -9.760 -9.937 1.00 0.00 ATOM 577 NH1 ARG A 75 10.981 -10.630 -10.524 1.00 0.00 ATOM 578 NH2 ARG A 75 11.594 -9.421 -8.671 1.00 0.00 ATOM 579 O ARG A 75 17.094 -8.392 -15.843 1.00 0.00 ATOM 580 C ARG A 75 15.918 -8.052 -15.901 1.00 0.00 ATOM 581 N ILE A 76 15.229 -8.055 -17.034 1.00 0.00 ATOM 582 CA ILE A 76 15.879 -8.451 -18.285 1.00 0.00 ATOM 583 CB ILE A 76 14.881 -8.397 -19.439 1.00 0.00 ATOM 584 CG1 ILE A 76 13.751 -9.374 -19.152 1.00 0.00 ATOM 585 CG2 ILE A 76 15.558 -8.786 -20.769 1.00 0.00 ATOM 586 CD1 ILE A 76 12.615 -9.313 -20.227 1.00 0.00 ATOM 587 O ILE A 76 18.137 -7.913 -18.920 1.00 0.00 ATOM 588 C ILE A 76 17.030 -7.491 -18.575 1.00 0.00 ATOM 589 N ILE A 77 16.772 -6.172 -18.424 1.00 0.00 ATOM 590 CA ILE A 77 17.790 -5.159 -18.675 1.00 0.00 ATOM 591 CB ILE A 77 17.285 -3.744 -18.405 1.00 0.00 ATOM 592 CG1 ILE A 77 16.199 -3.411 -19.437 1.00 0.00 ATOM 593 CG2 ILE A 77 18.447 -2.732 -18.462 1.00 0.00 ATOM 594 CD1 ILE A 77 15.445 -2.130 -19.144 1.00 0.00 ATOM 595 O ILE A 77 20.137 -5.445 -18.197 1.00 0.00 ATOM 596 C ILE A 77 18.991 -5.390 -17.753 1.00 0.00 ATOM 597 N SER A 78 18.704 -5.518 -16.462 1.00 0.00 ATOM 598 CA SER A 78 19.726 -5.725 -15.449 1.00 0.00 ATOM 599 CB SER A 78 19.098 -5.745 -14.055 1.00 0.00 ATOM 600 OG SER A 78 18.258 -6.872 -13.890 1.00 0.00 ATOM 601 O SER A 78 21.643 -7.062 -15.100 1.00 0.00 ATOM 602 C SER A 78 20.524 -7.003 -15.578 1.00 0.00 ATOM 603 N LEU A 79 19.938 -8.018 -16.205 1.00 0.00 ATOM 604 CA LEU A 79 20.661 -9.282 -16.398 1.00 0.00 ATOM 605 CB LEU A 79 19.711 -10.313 -17.020 1.00 0.00 ATOM 606 CG LEU A 79 18.602 -10.788 -16.074 1.00 0.00 ATOM 607 CD1 LEU A 79 17.560 -11.572 -16.880 1.00 0.00 ATOM 608 CD2 LEU A 79 19.187 -11.586 -14.923 1.00 0.00 ATOM 609 O LEU A 79 22.874 -9.864 -17.078 1.00 0.00 ATOM 610 C LEU A 79 21.902 -9.119 -17.265 1.00 0.00 ATOM 611 N GLN A 80 21.839 -8.176 -18.195 1.00 0.00 ATOM 612 CA GLN A 80 22.963 -7.901 -19.086 1.00 0.00 ATOM 613 CB GLN A 80 22.446 -7.651 -20.561 1.00 0.00 ATOM 614 CG GLN A 80 22.025 -9.005 -21.203 1.00 0.00 ATOM 615 CD GLN A 80 22.253 -9.057 -22.699 1.00 0.00 ATOM 616 OE1 GLN A 80 23.324 -9.452 -23.170 1.00 0.00 ATOM 617 NE2 GLN A 80 21.276 -8.552 -23.440 1.00 0.00 ATOM 618 O GLN A 80 25.018 -6.642 -19.002 1.00 0.00 ATOM 619 C GLN A 80 24.005 -7.019 -18.405 1.00 0.00 ATOM 620 N LYS A 81 23.727 -6.652 -17.158 1.00 0.00 ATOM 621 CA LYS A 81 24.620 -5.793 -16.388 1.00 0.00 ATOM 622 CB LYS A 81 26.013 -6.420 -16.273 1.00 0.00 ATOM 623 CG LYS A 81 26.034 -7.794 -15.630 1.00 0.00 ATOM 624 CD LYS A 81 27.470 -8.307 -15.554 1.00 0.00 ATOM 625 CE LYS A 81 27.541 -9.784 -15.232 1.00 0.00 ATOM 626 NZ LYS A 81 28.953 -10.273 -15.237 1.00 0.00 ATOM 627 O LYS A 81 25.437 -3.544 -16.637 1.00 0.00 ATOM 628 C LYS A 81 24.684 -4.419 -17.046 1.00 0.00 ATOM 629 N SER A 82 23.749 -4.186 -17.909 1.00 0.00 ATOM 630 CA SER A 82 23.707 -2.924 -18.618 1.00 0.00 ATOM 631 CB SER A 82 24.980 -2.757 -19.444 1.00 0.00 ATOM 632 OG SER A 82 25.024 -1.480 -20.045 1.00 0.00 ATOM 633 O SER A 82 21.870 -4.072 -19.642 1.00 0.00 ATOM 634 C SER A 82 22.561 -3.052 -19.618 1.00 0.00 ATOM 635 N TYR A 83 22.307 -2.082 -20.158 1.00 0.00 ATOM 636 CA TYR A 83 21.193 -2.065 -21.103 1.00 0.00 ATOM 637 CB TYR A 83 20.934 -3.311 -21.931 1.00 0.00 ATOM 638 CG TYR A 83 22.004 -3.578 -22.967 1.00 0.00 ATOM 639 CD1 TYR A 83 22.144 -2.753 -24.089 1.00 0.00 ATOM 640 CD2 TYR A 83 22.879 -4.642 -22.786 1.00 0.00 ATOM 641 CE1 TYR A 83 23.148 -2.976 -25.036 1.00 0.00 ATOM 642 CE2 TYR A 83 23.871 -4.903 -23.737 1.00 0.00 ATOM 643 CZ TYR A 83 23.999 -4.062 -24.844 1.00 0.00 ATOM 644 OH TYR A 83 24.949 -4.293 -25.768 1.00 0.00 ATOM 645 O TYR A 83 18.882 -1.443 -21.108 1.00 0.00 ATOM 646 C TYR A 83 19.978 -1.345 -20.548 1.00 0.00 ATOM 647 N SER A 84 20.171 -0.623 -19.452 1.00 0.00 ATOM 648 CA SER A 84 19.089 0.128 -18.818 1.00 0.00 ATOM 649 CB SER A 84 19.645 1.071 -17.748 1.00 0.00 ATOM 650 OG SER A 84 18.614 1.844 -17.162 1.00 0.00 ATOM 651 O SER A 84 18.908 1.796 -20.553 1.00 0.00 ATOM 652 C SER A 84 18.325 0.991 -19.823 1.00 0.00 ATOM 653 N TRP A 85 17.009 0.822 -19.845 1.00 0.00 ATOM 654 CA TRP A 85 16.178 1.566 -20.782 1.00 0.00 ATOM 655 CB TRP A 85 16.106 0.826 -22.135 1.00 0.00 ATOM 656 CG TRP A 85 15.535 -0.567 -22.120 1.00 0.00 ATOM 657 CD1 TRP A 85 14.213 -0.911 -21.998 1.00 0.00 ATOM 658 CD2 TRP A 85 16.247 -1.791 -22.367 1.00 0.00 ATOM 659 CE2 TRP A 85 15.288 -2.832 -22.394 1.00 0.00 ATOM 660 CE3 TRP A 85 17.598 -2.107 -22.574 1.00 0.00 ATOM 661 NE1 TRP A 85 14.061 -2.269 -22.167 1.00 0.00 ATOM 662 CZ2 TRP A 85 15.640 -4.170 -22.623 1.00 0.00 ATOM 663 CZ3 TRP A 85 17.950 -3.443 -22.802 1.00 0.00 ATOM 664 CH2 TRP A 85 16.968 -4.456 -22.825 1.00 0.00 ATOM 665 O TRP A 85 14.362 1.290 -19.232 1.00 0.00 ATOM 666 C TRP A 85 14.805 1.891 -20.214 1.00 0.00 ATOM 667 N VAL A 86 14.137 2.850 -20.842 1.00 0.00 ATOM 668 CA VAL A 86 12.788 3.235 -20.440 1.00 0.00 ATOM 669 CB VAL A 86 12.775 4.668 -19.820 1.00 0.00 ATOM 670 CG1 VAL A 86 13.365 5.706 -20.782 1.00 0.00 ATOM 671 CG2 VAL A 86 11.369 5.081 -19.345 1.00 0.00 ATOM 672 O VAL A 86 12.265 3.440 -22.766 1.00 0.00 ATOM 673 C VAL A 86 11.874 3.103 -21.651 1.00 0.00 ATOM 674 N THR A 87 10.654 2.635 -21.430 1.00 0.00 ATOM 675 CA THR A 87 9.704 2.491 -22.513 1.00 0.00 ATOM 676 CB THR A 87 8.494 1.572 -22.099 1.00 0.00 ATOM 677 CG2 THR A 87 7.787 2.180 -20.899 1.00 0.00 ATOM 678 OG1 THR A 87 7.571 1.445 -23.187 1.00 0.00 ATOM 679 O THR A 87 8.778 4.696 -22.336 1.00 0.00 ATOM 680 C THR A 87 9.231 3.819 -23.079 1.00 0.00 ATOM 681 N VAL A 88 9.328 3.974 -24.396 1.00 0.00 ATOM 682 CA VAL A 88 8.858 5.197 -25.044 1.00 0.00 ATOM 683 CB VAL A 88 9.819 5.622 -26.169 1.00 0.00 ATOM 684 CG1 VAL A 88 9.249 6.807 -26.935 1.00 0.00 ATOM 685 CG2 VAL A 88 11.167 6.025 -25.591 1.00 0.00 ATOM 686 O VAL A 88 6.688 5.918 -25.792 1.00 0.00 ATOM 687 C VAL A 88 7.461 4.980 -25.647 1.00 0.00 ATOM 688 N ARG A 89 7.147 3.736 -25.991 1.00 0.00 ATOM 689 CA ARG A 89 5.844 3.410 -26.552 1.00 0.00 ATOM 690 CB ARG A 89 5.908 3.405 -28.068 1.00 0.00 ATOM 691 CG ARG A 89 4.619 2.824 -28.679 1.00 0.00 ATOM 692 CD ARG A 89 4.176 3.287 -30.005 1.00 0.00 ATOM 693 NE ARG A 89 4.532 4.616 -30.515 1.00 0.00 ATOM 694 CZ ARG A 89 3.689 5.638 -30.754 1.00 0.00 ATOM 695 NH1 ARG A 89 2.442 5.635 -30.337 1.00 0.00 ATOM 696 NH2 ARG A 89 4.142 6.728 -31.343 1.00 0.00 ATOM 697 O ARG A 89 6.477 1.158 -26.055 1.00 0.00 ATOM 698 C ARG A 89 5.560 1.949 -26.281 1.00 0.00 ATOM 699 N LEU A 90 4.278 1.599 -26.219 1.00 0.00 ATOM 700 CA LEU A 90 3.888 0.211 -25.987 1.00 0.00 ATOM 701 CB LEU A 90 3.851 -0.057 -24.480 1.00 0.00 ATOM 702 CG LEU A 90 3.441 -1.468 -24.051 1.00 0.00 ATOM 703 CD1 LEU A 90 4.502 -2.479 -24.458 1.00 0.00 ATOM 704 CD2 LEU A 90 3.267 -1.539 -22.543 1.00 0.00 ATOM 705 O LEU A 90 1.626 0.770 -26.510 1.00 0.00 ATOM 706 C LEU A 90 2.510 -0.077 -26.555 1.00 0.00 ATOM 707 N MET A 91 2.347 -1.270 -27.107 1.00 0.00 ATOM 708 CA MET A 91 1.065 -1.689 -27.650 1.00 0.00 ATOM 709 CB MET A 91 1.197 -2.022 -29.138 1.00 0.00 ATOM 710 CG MET A 91 1.537 -0.828 -30.014 1.00 0.00 ATOM 711 SD MET A 91 1.574 -1.243 -31.770 1.00 0.00 ATOM 712 CE MET A 91 -0.149 -1.623 -32.065 1.00 0.00 ATOM 713 O MET A 91 1.474 -3.836 -26.716 1.00 0.00 ATOM 714 C MET A 91 0.655 -2.946 -26.910 1.00 0.00 ATOM 715 N CYS A 92 -0.591 -2.999 -26.454 1.00 0.00 ATOM 716 CA CYS A 92 -1.062 -4.142 -25.679 1.00 0.00 ATOM 717 CB CYS A 92 -1.324 -3.673 -24.246 1.00 0.00 ATOM 718 SG CYS A 92 0.146 -3.086 -23.371 1.00 0.00 ATOM 719 O CYS A 92 -3.323 -4.031 -26.411 1.00 0.00 ATOM 720 C CYS A 92 -2.369 -4.749 -26.160 1.00 0.00 ATOM 721 N ASP A 93 -2.396 -6.072 -26.283 1.00 0.00 ATOM 722 CA ASP A 93 -3.599 -6.793 -26.671 1.00 0.00 ATOM 723 CB ASP A 93 -3.283 -7.712 -27.851 1.00 0.00 ATOM 724 CG ASP A 93 -4.513 -8.425 -28.380 1.00 0.00 ATOM 725 OD1 ASP A 93 -5.583 -8.312 -27.747 1.00 0.00 ATOM 726 OD2 ASP A 93 -4.405 -9.093 -29.429 1.00 0.00 ATOM 727 O ASP A 93 -3.333 -8.471 -24.999 1.00 0.00 ATOM 728 C ASP A 93 -4.061 -7.604 -25.475 1.00 0.00 ATOM 729 N PHE A 94 -5.278 -7.357 -25.000 1.00 0.00 ATOM 730 CA PHE A 94 -5.810 -8.122 -23.869 1.00 0.00 ATOM 731 CB PHE A 94 -6.615 -7.177 -22.953 1.00 0.00 ATOM 732 CG PHE A 94 -5.789 -6.255 -22.100 1.00 0.00 ATOM 733 CD1 PHE A 94 -5.017 -5.239 -22.666 1.00 0.00 ATOM 734 CD2 PHE A 94 -5.818 -6.374 -20.718 1.00 0.00 ATOM 735 CE1 PHE A 94 -4.245 -4.381 -21.856 1.00 0.00 ATOM 736 CE2 PHE A 94 -5.075 -5.522 -19.915 1.00 0.00 ATOM 737 CZ PHE A 94 -4.284 -4.529 -20.485 1.00 0.00 ATOM 738 O PHE A 94 -7.592 -9.001 -25.196 1.00 0.00 ATOM 739 C PHE A 94 -6.632 -9.248 -24.467 1.00 0.00 ATOM 740 N LEU A 95 -6.245 -10.482 -24.166 1.00 0.00 ATOM 741 CA LEU A 95 -6.944 -11.650 -24.697 1.00 0.00 ATOM 742 CB LEU A 95 -5.945 -12.714 -25.157 1.00 0.00 ATOM 743 CG LEU A 95 -5.011 -12.317 -26.302 1.00 0.00 ATOM 744 CD1 LEU A 95 -3.992 -13.414 -26.570 1.00 0.00 ATOM 745 CD2 LEU A 95 -5.799 -12.078 -27.580 1.00 0.00 ATOM 746 O LEU A 95 -9.005 -12.659 -24.016 1.00 0.00 ATOM 747 C LEU A 95 -7.873 -12.325 -23.686 1.00 0.00 ATOM 748 N SER A 96 -7.395 -12.497 -22.456 1.00 0.00 ATOM 749 CA SER A 96 -8.170 -13.127 -21.395 1.00 0.00 ATOM 750 CB SER A 96 -7.676 -14.554 -21.208 1.00 0.00 ATOM 751 OG SER A 96 -8.090 -15.345 -22.334 1.00 0.00 ATOM 752 O SER A 96 -6.861 -11.811 -19.881 1.00 0.00 ATOM 753 C SER A 96 -7.937 -12.355 -20.106 1.00 0.00 ATOM 754 N GLY A 97 -8.948 -12.316 -19.228 1.00 0.00 ATOM 755 CA GLY A 97 -8.806 -11.593 -17.957 1.00 0.00 ATOM 756 O GLY A 97 -7.711 -13.544 -17.094 1.00 0.00 ATOM 757 C GLY A 97 -7.887 -12.335 -16.990 1.00 0.00 ATOM 758 N ALA A 98 -7.279 -11.598 -16.069 1.00 0.00 ATOM 759 CA ALA A 98 -6.430 -12.225 -15.081 1.00 0.00 ATOM 760 CB ALA A 98 -4.983 -11.627 -15.141 1.00 0.00 ATOM 761 O ALA A 98 -7.310 -11.165 -13.129 1.00 0.00 ATOM 762 C ALA A 98 -7.218 -12.202 -13.786 1.00 0.00 ATOM 763 N LYS A 99 -7.831 -13.327 -13.439 1.00 0.00 ATOM 764 CA LYS A 99 -8.648 -13.397 -12.223 1.00 0.00 ATOM 765 CB LYS A 99 -9.625 -14.571 -12.297 1.00 0.00 ATOM 766 CG LYS A 99 -10.724 -14.403 -13.335 1.00 0.00 ATOM 767 CD LYS A 99 -11.639 -15.615 -13.371 1.00 0.00 ATOM 768 CE LYS A 99 -12.751 -15.435 -14.393 1.00 0.00 ATOM 769 NZ LYS A 99 -13.641 -16.626 -14.458 1.00 0.00 ATOM 770 O LYS A 99 -6.664 -13.946 -10.977 1.00 0.00 ATOM 771 C LYS A 99 -7.842 -13.577 -10.949 1.00 0.00 ATOM 772 N LEU A 100 -8.488 -13.299 -9.822 1.00 0.00 ATOM 773 CA LEU A 100 -7.857 -13.457 -8.515 1.00 0.00 ATOM 774 CB LEU A 100 -8.803 -12.978 -7.417 1.00 0.00 ATOM 775 CG LEU A 100 -9.442 -11.602 -7.632 1.00 0.00 ATOM 776 CD1 LEU A 100 -10.349 -11.287 -6.457 1.00 0.00 ATOM 777 CD2 LEU A 100 -8.362 -10.535 -7.785 1.00 0.00 ATOM 778 O LEU A 100 -8.231 -15.826 -8.655 1.00 0.00 ATOM 779 C LEU A 100 -7.464 -14.919 -8.316 1.00 0.00 ATOM 780 N GLY A 101 -6.272 -15.118 -7.732 1.00 0.00 ATOM 781 CA GLY A 101 -5.807 -16.473 -7.502 1.00 0.00 ATOM 782 O GLY A 101 -4.176 -17.932 -8.460 1.00 0.00 ATOM 783 C GLY A 101 -4.959 -16.996 -8.646 1.00 0.00 ATOM 784 N ASP A 102 -5.131 -16.385 -9.825 1.00 0.00 ATOM 785 CA ASP A 102 -4.357 -16.826 -10.984 1.00 0.00 ATOM 786 CB ASP A 102 -4.846 -16.105 -12.241 1.00 0.00 ATOM 787 CG ASP A 102 -6.173 -16.645 -12.741 1.00 0.00 ATOM 788 OD1 ASP A 102 -6.619 -17.693 -12.228 1.00 0.00 ATOM 789 OD2 ASP A 102 -6.766 -16.018 -13.645 1.00 0.00 ATOM 790 O ASP A 102 -2.587 -15.261 -10.510 1.00 0.00 ATOM 791 C ASP A 102 -2.899 -16.409 -10.878 1.00 0.00 ATOM 792 N TRP A 103 -2.027 -17.358 -11.206 1.00 0.00 ATOM 793 CA TRP A 103 -0.590 -17.080 -11.247 1.00 0.00 ATOM 794 CB TRP A 103 0.181 -18.292 -10.696 1.00 0.00 ATOM 795 CG TRP A 103 -0.162 -18.598 -9.265 1.00 0.00 ATOM 796 CD1 TRP A 103 -1.213 -19.393 -8.807 1.00 0.00 ATOM 797 CD2 TRP A 103 0.532 -18.143 -8.100 1.00 0.00 ATOM 798 CE2 TRP A 103 -0.143 -18.676 -6.965 1.00 0.00 ATOM 799 CE3 TRP A 103 1.649 -17.315 -7.893 1.00 0.00 ATOM 800 NE1 TRP A 103 -1.193 -19.436 -7.421 1.00 0.00 ATOM 801 CZ2 TRP A 103 0.255 -18.395 -5.643 1.00 0.00 ATOM 802 CZ3 TRP A 103 2.050 -17.044 -6.566 1.00 0.00 ATOM 803 CH2 TRP A 103 1.346 -17.591 -5.464 1.00 0.00 ATOM 804 O TRP A 103 -0.517 -17.465 -13.608 1.00 0.00 ATOM 805 C TRP A 103 -0.273 -16.691 -12.680 1.00 0.00 ATOM 806 N VAL A 104 0.249 -15.505 -12.849 1.00 0.00 ATOM 807 CA VAL A 104 0.574 -15.032 -14.183 1.00 0.00 ATOM 808 CB VAL A 104 0.071 -13.619 -14.328 1.00 0.00 ATOM 809 CG1 VAL A 104 -1.430 -13.480 -14.015 1.00 0.00 ATOM 810 CG2 VAL A 104 0.839 -12.621 -13.556 1.00 0.00 ATOM 811 O VAL A 104 2.840 -14.653 -13.505 1.00 0.00 ATOM 812 C VAL A 104 2.074 -15.074 -14.376 1.00 0.00 ATOM 813 N GLU A 105 2.483 -15.500 -15.564 1.00 0.00 ATOM 814 CA GLU A 105 3.893 -15.586 -15.905 1.00 0.00 ATOM 815 CB GLU A 105 4.403 -17.028 -16.060 1.00 0.00 ATOM 816 CG GLU A 105 3.485 -18.153 -16.508 1.00 0.00 ATOM 817 CD GLU A 105 2.399 -18.522 -15.487 1.00 0.00 ATOM 818 OE1 GLU A 105 1.341 -17.908 -15.565 1.00 0.00 ATOM 819 OE2 GLU A 105 2.600 -19.406 -14.619 1.00 0.00 ATOM 820 O GLU A 105 3.394 -14.688 -18.070 1.00 0.00 ATOM 821 C GLU A 105 4.093 -14.627 -17.066 1.00 0.00 ATOM 822 N GLY A 106 5.053 -13.730 -16.919 1.00 0.00 ATOM 823 CA GLY A 106 5.328 -12.749 -17.945 1.00 0.00 ATOM 824 O GLY A 106 7.678 -13.109 -17.781 1.00 0.00 ATOM 825 C GLY A 106 6.699 -13.025 -18.520 1.00 0.00 ATOM 826 N GLU A 107 6.765 -13.222 -19.836 1.00 0.00 ATOM 827 CA GLU A 107 8.048 -13.468 -20.490 1.00 0.00 ATOM 828 CB GLU A 107 7.789 -14.455 -21.554 1.00 0.00 ATOM 829 CG GLU A 107 8.571 -15.656 -20.967 1.00 0.00 ATOM 830 CD GLU A 107 8.407 -17.019 -21.654 1.00 0.00 ATOM 831 OE1 GLU A 107 7.908 -17.128 -22.775 1.00 0.00 ATOM 832 OE2 GLU A 107 8.765 -18.019 -21.039 1.00 0.00 ATOM 833 O GLU A 107 7.587 -11.922 -22.258 1.00 0.00 ATOM 834 C GLU A 107 8.369 -12.282 -21.397 1.00 0.00 ATOM 835 N GLY A 108 9.510 -11.653 -21.151 1.00 0.00 ATOM 836 CA GLY A 108 9.956 -10.542 -21.960 1.00 0.00 ATOM 837 O GLY A 108 12.122 -11.539 -22.175 1.00 0.00 ATOM 838 C GLY A 108 11.186 -10.981 -22.743 1.00 0.00 ATOM 839 N GLU A 109 11.209 -10.669 -24.034 1.00 0.00 ATOM 840 CA GLU A 109 12.318 -11.048 -24.904 1.00 0.00 ATOM 841 CB GLU A 109 11.904 -12.254 -25.749 1.00 0.00 ATOM 842 CG GLU A 109 11.583 -13.500 -24.940 1.00 0.00 ATOM 843 CD GLU A 109 11.216 -14.685 -25.811 1.00 0.00 ATOM 844 OE1 GLU A 109 11.187 -14.524 -27.050 1.00 0.00 ATOM 845 OE2 GLU A 109 10.957 -15.771 -25.257 1.00 0.00 ATOM 846 O GLU A 109 11.850 -9.240 -26.400 1.00 0.00 ATOM 847 C GLU A 109 12.706 -9.886 -25.803 1.00 0.00 ATOM 848 N LEU A 110 14.014 -9.602 -25.953 1.00 0.00 ATOM 849 CA LEU A 110 14.372 -8.546 -26.889 1.00 0.00 ATOM 850 CB LEU A 110 15.817 -8.104 -26.564 1.00 0.00 ATOM 851 CG LEU A 110 16.384 -7.003 -27.469 1.00 0.00 ATOM 852 CD1 LEU A 110 15.574 -5.695 -27.346 1.00 0.00 ATOM 853 CD2 LEU A 110 17.847 -6.756 -27.069 1.00 0.00 ATOM 854 O LEU A 110 14.870 -9.989 -28.737 1.00 0.00 ATOM 855 C LEU A 110 14.262 -8.977 -28.350 1.00 0.00 ATOM 856 N ILE A 111 13.530 -8.226 -29.139 1.00 0.00 ATOM 857 CA ILE A 111 13.356 -8.568 -30.558 1.00 0.00 ATOM 858 CB ILE A 111 11.895 -8.280 -30.956 1.00 0.00 ATOM 859 CG1 ILE A 111 11.575 -8.925 -32.305 1.00 0.00 ATOM 860 CG2 ILE A 111 11.658 -6.783 -31.070 1.00 0.00 ATOM 861 CD1 ILE A 111 10.098 -8.944 -32.636 1.00 0.00 ATOM 862 O ILE A 111 14.795 -8.321 -32.461 1.00 0.00 ATOM 863 C ILE A 111 14.344 -7.816 -31.437 1.00 0.00 ATOM 864 N SER A 112 14.678 -6.602 -31.032 1.00 0.00 ATOM 865 CA SER A 112 15.621 -5.774 -31.776 1.00 0.00 ATOM 866 CB SER A 112 14.826 -4.934 -32.777 1.00 0.00 ATOM 867 OG SER A 112 14.038 -3.959 -32.113 1.00 0.00 ATOM 868 O SER A 112 15.777 -4.228 -29.971 1.00 0.00 ATOM 869 C SER A 112 16.369 -4.824 -30.863 1.00 0.00 ATOM 870 N GLU A 113 17.669 -4.680 -31.089 1.00 0.00 ATOM 871 CA GLU A 113 18.468 -3.779 -30.274 1.00 0.00 ATOM 872 CB GLU A 113 19.384 -4.485 -29.437 1.00 0.00 ATOM 873 CG GLU A 113 20.108 -5.761 -29.844 1.00 0.00 ATOM 874 CD GLU A 113 21.561 -5.785 -29.420 1.00 0.00 ATOM 875 OE1 GLU A 113 22.323 -4.908 -29.891 1.00 0.00 ATOM 876 OE2 GLU A 113 21.954 -6.675 -28.624 1.00 0.00 ATOM 877 O GLU A 113 20.281 -3.325 -31.772 1.00 0.00 ATOM 878 C GLU A 113 19.305 -2.878 -31.165 1.00 0.00 ATOM 879 N GLU A 114 18.912 -1.612 -31.262 1.00 0.00 ATOM 880 CA GLU A 114 19.647 -0.673 -32.084 1.00 0.00 ATOM 881 CB GLU A 114 18.696 0.326 -32.749 1.00 0.00 ATOM 882 CG GLU A 114 17.746 -0.301 -33.757 1.00 0.00 ATOM 883 CD GLU A 114 16.820 0.718 -34.396 1.00 0.00 ATOM 884 OE1 GLU A 114 16.884 1.904 -34.009 1.00 0.00 ATOM 885 OE2 GLU A 114 16.032 0.330 -35.282 1.00 0.00 ATOM 886 O GLU A 114 20.904 -0.144 -30.104 1.00 0.00 ATOM 887 C GLU A 114 20.626 0.152 -31.270 1.00 0.00 ATOM 888 N ASP A 115 21.153 1.197 -31.898 1.00 0.00 ATOM 889 CA ASP A 115 22.109 2.080 -31.244 1.00 0.00 ATOM 890 CB ASP A 115 22.567 3.178 -32.206 1.00 0.00 ATOM 891 CG ASP A 115 23.474 2.652 -33.300 1.00 0.00 ATOM 892 OD1 ASP A 115 23.940 1.500 -33.182 1.00 0.00 ATOM 893 OD2 ASP A 115 23.719 3.394 -34.274 1.00 0.00 ATOM 894 O ASP A 115 22.032 2.622 -28.906 1.00 0.00 ATOM 895 C ASP A 115 21.505 2.744 -30.011 1.00 0.00 ATOM 896 N MET A 116 20.320 3.452 -30.272 1.00 0.00 ATOM 897 CA MET A 116 19.676 4.158 -29.174 1.00 0.00 ATOM 898 CB MET A 116 19.616 5.694 -29.510 1.00 0.00 ATOM 899 CG MET A 116 19.055 6.593 -28.378 1.00 0.00 ATOM 900 SD MET A 116 20.161 6.808 -27.021 1.00 0.00 ATOM 901 CE MET A 116 21.345 7.987 -27.734 1.00 0.00 ATOM 902 O MET A 116 17.966 3.682 -27.584 1.00 0.00 ATOM 903 C MET A 116 18.369 3.533 -28.732 1.00 0.00 ATOM 904 N LEU A 117 17.706 2.835 -29.644 1.00 0.00 ATOM 905 CA LEU A 117 16.423 2.231 -29.320 1.00 0.00 ATOM 906 CB LEU A 117 15.329 2.810 -30.218 1.00 0.00 ATOM 907 CG LEU A 117 15.121 4.325 -30.145 1.00 0.00 ATOM 908 CD1 LEU A 117 14.122 4.783 -31.195 1.00 0.00 ATOM 909 CD2 LEU A 117 14.596 4.730 -28.777 1.00 0.00 ATOM 910 O LEU A 117 16.887 0.208 -30.535 1.00 0.00 ATOM 911 C LEU A 117 16.272 0.746 -29.618 1.00 0.00 ATOM 912 N PHE A 118 15.330 0.214 -28.880 1.00 0.00 ATOM 913 CA PHE A 118 15.113 -1.242 -28.997 1.00 0.00 ATOM 914 CB PHE A 118 15.728 -1.961 -27.820 1.00 0.00 ATOM 915 CG PHE A 118 17.098 -1.458 -27.466 1.00 0.00 ATOM 916 CD1 PHE A 118 18.196 -1.788 -28.250 1.00 0.00 ATOM 917 CD2 PHE A 118 17.285 -0.631 -26.358 1.00 0.00 ATOM 918 CE1 PHE A 118 19.453 -1.294 -27.951 1.00 0.00 ATOM 919 CE2 PHE A 118 18.546 -0.130 -26.049 1.00 0.00 ATOM 920 CZ PHE A 118 19.630 -0.467 -26.846 1.00 0.00 ATOM 921 O PHE A 118 12.813 -0.852 -28.423 1.00 0.00 ATOM 922 C PHE A 118 13.646 -1.638 -28.877 1.00 0.00 ATOM 923 N THR A 119 13.357 -2.870 -29.246 1.00 0.00 ATOM 924 CA THR A 119 11.995 -3.391 -29.179 1.00 0.00 ATOM 925 CB THR A 119 11.492 -3.643 -30.612 1.00 0.00 ATOM 926 CG2 THR A 119 10.056 -4.138 -30.593 1.00 0.00 ATOM 927 OG1 THR A 119 11.555 -2.425 -31.366 1.00 0.00 ATOM 928 O THR A 119 12.759 -5.597 -28.660 1.00 0.00 ATOM 929 C THR A 119 11.967 -4.694 -28.402 1.00 0.00 ATOM 930 N VAL A 120 11.035 -4.762 -27.473 1.00 0.00 ATOM 931 CA VAL A 120 10.872 -5.903 -26.599 1.00 0.00 ATOM 932 CB VAL A 120 11.123 -5.532 -25.124 1.00 0.00 ATOM 933 CG1 VAL A 120 10.883 -6.737 -24.226 1.00 0.00 ATOM 934 CG2 VAL A 120 12.556 -5.065 -24.929 1.00 0.00 ATOM 935 O VAL A 120 8.497 -5.723 -26.725 1.00 0.00 ATOM 936 C VAL A 120 9.464 -6.469 -26.671 1.00 0.00 ATOM 937 N ARG A 121 9.365 -7.794 -26.634 1.00 0.00 ATOM 938 CA ARG A 121 8.082 -8.488 -26.675 1.00 0.00 ATOM 939 CB ARG A 121 8.130 -9.626 -27.699 1.00 0.00 ATOM 940 CG ARG A 121 8.316 -9.161 -29.134 1.00 0.00 ATOM 941 CD ARG A 121 8.396 -10.343 -30.089 1.00 0.00 ATOM 942 NE ARG A 121 9.598 -11.141 -29.871 1.00 0.00 ATOM 943 CZ ARG A 121 9.829 -12.316 -30.451 1.00 0.00 ATOM 944 NH1 ARG A 121 10.952 -12.972 -30.194 1.00 0.00 ATOM 945 NH2 ARG A 121 8.938 -12.829 -31.288 1.00 0.00 ATOM 946 O ARG A 121 8.683 -9.735 -24.733 1.00 0.00 ATOM 947 C ARG A 121 7.812 -9.090 -25.299 1.00 0.00 ATOM 948 N GLY A 122 6.609 -8.907 -24.768 1.00 0.00 ATOM 949 CA GLY A 122 6.286 -9.506 -23.482 1.00 0.00 ATOM 950 O GLY A 122 4.061 -9.816 -24.294 1.00 0.00 ATOM 951 C GLY A 122 4.975 -10.262 -23.592 1.00 0.00 ATOM 952 N ARG A 123 4.943 -11.321 -23.147 1.00 0.00 ATOM 953 CA ARG A 123 3.714 -12.115 -23.206 1.00 0.00 ATOM 954 CB ARG A 123 3.894 -13.142 -24.368 1.00 0.00 ATOM 955 CG ARG A 123 3.836 -12.490 -25.756 1.00 0.00 ATOM 956 CD ARG A 123 3.726 -13.480 -26.926 1.00 0.00 ATOM 957 NE ARG A 123 2.355 -13.524 -27.417 1.00 0.00 ATOM 958 CZ ARG A 123 1.483 -14.456 -27.075 1.00 0.00 ATOM 959 NH1 ARG A 123 1.866 -15.430 -26.260 1.00 0.00 ATOM 960 NH2 ARG A 123 0.244 -14.420 -27.543 1.00 0.00 ATOM 961 O ARG A 123 4.241 -13.094 -21.080 1.00 0.00 ATOM 962 C ARG A 123 3.390 -12.551 -21.786 1.00 0.00 ATOM 963 N ILE A 124 2.142 -12.348 -21.393 1.00 0.00 ATOM 964 CA ILE A 124 1.689 -12.753 -20.073 1.00 0.00 ATOM 965 CB ILE A 124 1.029 -11.575 -19.335 1.00 0.00 ATOM 966 CG1 ILE A 124 2.027 -10.429 -19.159 1.00 0.00 ATOM 967 CG2 ILE A 124 0.549 -12.010 -17.958 1.00 0.00 ATOM 968 CD1 ILE A 124 1.403 -9.147 -18.651 1.00 0.00 ATOM 969 O ILE A 124 -0.328 -13.731 -20.885 1.00 0.00 ATOM 970 C ILE A 124 0.668 -13.871 -20.191 1.00 0.00 ATOM 971 N TRP A 125 0.929 -14.978 -19.517 1.00 0.00 ATOM 972 CA TRP A 125 0.021 -16.109 -19.557 1.00 0.00 ATOM 973 CB TRP A 125 0.735 -17.435 -19.733 1.00 0.00 ATOM 974 CG TRP A 125 1.196 -17.652 -21.143 1.00 0.00 ATOM 975 CD1 TRP A 125 0.558 -18.349 -22.119 1.00 0.00 ATOM 976 CD2 TRP A 125 2.418 -17.171 -21.719 1.00 0.00 ATOM 977 CE2 TRP A 125 2.448 -17.609 -23.058 1.00 0.00 ATOM 978 CE3 TRP A 125 3.492 -16.403 -21.248 1.00 0.00 ATOM 979 NE1 TRP A 125 1.306 -18.333 -23.277 1.00 0.00 ATOM 980 CZ2 TRP A 125 3.496 -17.316 -23.923 1.00 0.00 ATOM 981 CZ3 TRP A 125 4.529 -16.106 -22.105 1.00 0.00 ATOM 982 CH2 TRP A 125 4.536 -16.562 -23.445 1.00 0.00 ATOM 983 O TRP A 125 0.197 -15.969 -17.168 1.00 0.00 ATOM 984 C TRP A 125 -0.416 -16.439 -18.138 1.00 0.00 ATOM 985 N ALA A 126 -1.485 -17.223 -18.006 1.00 0.00 ATOM 986 CA ALA A 126 -1.966 -17.621 -16.678 1.00 0.00 ATOM 987 CB ALA A 126 -2.774 -16.523 -16.009 1.00 0.00 ATOM 988 O ALA A 126 -3.813 -18.900 -17.532 1.00 0.00 ATOM 989 C ALA A 126 -2.818 -18.888 -16.793 1.00 0.00 ATOM 990 N GLY A 127 -2.471 -19.848 -15.918 1.00 0.00 ATOM 991 CA GLY A 127 -3.335 -21.019 -15.793 1.00 0.00 ATOM 992 O GLY A 127 -1.922 -22.063 -17.462 1.00 0.00 ATOM 993 C GLY A 127 -3.075 -21.778 -17.107 1.00 0.00 ATOM 994 N GLU A 128 -4.144 -22.043 -17.821 1.00 0.00 ATOM 995 CA GLU A 128 -4.082 -22.748 -19.104 1.00 0.00 ATOM 996 CB GLU A 128 -5.287 -23.726 -19.192 1.00 0.00 ATOM 997 CG GLU A 128 -5.355 -24.777 -18.099 1.00 0.00 ATOM 998 CD GLU A 128 -4.282 -25.841 -18.224 1.00 0.00 ATOM 999 OE1 GLU A 128 -3.482 -25.802 -19.178 1.00 0.00 ATOM 1000 OE2 GLU A 128 -4.231 -26.724 -17.346 1.00 0.00 ATOM 1001 O GLU A 128 -3.823 -22.350 -21.436 1.00 0.00 ATOM 1002 C GLU A 128 -3.974 -21.865 -20.318 1.00 0.00 ATOM 1003 N ARG A 129 -3.975 -20.561 -20.103 1.00 0.00 ATOM 1004 CA ARG A 129 -3.902 -19.629 -21.218 1.00 0.00 ATOM 1005 CB ARG A 129 -5.335 -18.880 -21.252 1.00 0.00 ATOM 1006 CG ARG A 129 -6.566 -19.752 -21.171 1.00 0.00 ATOM 1007 CD ARG A 129 -7.714 -18.944 -20.625 1.00 0.00 ATOM 1008 NE ARG A 129 -7.373 -18.410 -19.311 1.00 0.00 ATOM 1009 CZ ARG A 129 -8.100 -17.511 -18.664 1.00 0.00 ATOM 1010 NH1 ARG A 129 -9.208 -17.039 -19.219 1.00 0.00 ATOM 1011 NH2 ARG A 129 -7.718 -17.083 -17.469 1.00 0.00 ATOM 1012 O ARG A 129 -2.366 -17.978 -20.465 1.00 0.00 ATOM 1013 C ARG A 129 -3.116 -18.359 -21.357 1.00 0.00 ATOM 1014 N THR A 130 -3.320 -17.478 -22.714 1.00 0.00 ATOM 1015 CA THR A 130 -2.662 -16.196 -22.910 1.00 0.00 ATOM 1016 CB THR A 130 -2.399 -15.850 -24.386 1.00 0.00 ATOM 1017 CG2 THR A 130 -1.871 -14.430 -24.517 1.00 0.00 ATOM 1018 OG1 THR A 130 -1.430 -16.757 -24.928 1.00 0.00 ATOM 1019 O THR A 130 -4.602 -14.777 -23.054 1.00 0.00 ATOM 1020 C THR A 130 -3.531 -15.016 -22.479 1.00 0.00 ATOM 1021 N LEU A 131 -3.074 -14.354 -21.451 1.00 0.00 ATOM 1022 CA LEU A 131 -3.842 -13.243 -20.902 1.00 0.00 ATOM 1023 CB LEU A 131 -3.458 -12.936 -19.490 1.00 0.00 ATOM 1024 CG LEU A 131 -3.580 -14.162 -18.542 1.00 0.00 ATOM 1025 CD1 LEU A 131 -3.152 -13.750 -17.124 1.00 0.00 ATOM 1026 CD2 LEU A 131 -4.941 -14.816 -18.594 1.00 0.00 ATOM 1027 O LEU A 131 -4.593 -11.235 -22.027 1.00 0.00 ATOM 1028 C LEU A 131 -3.634 -11.944 -21.686 1.00 0.00 ATOM 1029 N ILE A 132 -2.372 -11.638 -21.982 1.00 0.00 ATOM 1030 CA ILE A 132 -2.068 -10.430 -22.720 1.00 0.00 ATOM 1031 CB ILE A 132 -1.972 -9.207 -21.788 1.00 0.00 ATOM 1032 CG1 ILE A 132 -1.892 -7.918 -22.606 1.00 0.00 ATOM 1033 CG2 ILE A 132 -0.730 -9.301 -20.913 1.00 0.00 ATOM 1034 CD1 ILE A 132 -2.137 -6.666 -21.794 1.00 0.00 ATOM 1035 O ILE A 132 0.146 -11.263 -23.070 1.00 0.00 ATOM 1036 C ILE A 132 -0.737 -10.515 -23.460 1.00 0.00 ATOM 1037 N THR A 133 -0.675 -9.664 -24.600 1.00 0.00 ATOM 1038 CA THR A 133 0.547 -9.572 -25.396 1.00 0.00 ATOM 1039 CB THR A 133 0.321 -10.092 -26.828 1.00 0.00 ATOM 1040 CG2 THR A 133 1.600 -9.987 -27.642 1.00 0.00 ATOM 1041 OG1 THR A 133 -0.090 -11.466 -26.782 1.00 0.00 ATOM 1042 O THR A 133 0.161 -7.254 -25.799 1.00 0.00 ATOM 1043 C THR A 133 0.969 -8.122 -25.466 1.00 0.00 ATOM 1044 N GLY A 134 2.231 -7.867 -25.135 1.00 0.00 ATOM 1045 CA GLY A 134 2.783 -6.521 -25.177 1.00 0.00 ATOM 1046 O GLY A 134 4.831 -7.335 -26.158 1.00 0.00 ATOM 1047 C GLY A 134 4.038 -6.385 -26.055 1.00 0.00 ATOM 1048 N THR A 135 4.091 -5.312 -26.761 1.00 0.00 ATOM 1049 CA THR A 135 5.251 -5.053 -27.632 1.00 0.00 ATOM 1050 CB THR A 135 4.877 -5.274 -29.108 1.00 0.00 ATOM 1051 CG2 THR A 135 6.087 -5.064 -30.004 1.00 0.00 ATOM 1052 OG1 THR A 135 4.397 -6.613 -29.287 1.00 0.00 ATOM 1053 O THR A 135 4.793 -2.714 -27.521 1.00 0.00 ATOM 1054 C THR A 135 5.609 -3.607 -27.336 1.00 0.00 ATOM 1055 N GLY A 136 6.820 -3.373 -26.844 1.00 0.00 ATOM 1056 CA GLY A 136 7.203 -2.011 -26.537 1.00 0.00 ATOM 1057 O GLY A 136 9.383 -2.332 -27.478 1.00 0.00 ATOM 1058 C GLY A 136 8.519 -1.529 -27.114 1.00 0.00 ATOM 1059 N VAL A 137 8.646 -0.173 -27.209 1.00 0.00 ATOM 1060 CA VAL A 137 9.857 0.455 -27.742 1.00 0.00 ATOM 1061 CB VAL A 137 9.572 1.402 -28.922 1.00 0.00 ATOM 1062 CG1 VAL A 137 10.861 2.043 -29.414 1.00 0.00 ATOM 1063 CG2 VAL A 137 8.941 0.638 -30.077 1.00 0.00 ATOM 1064 O VAL A 137 9.762 2.014 -25.911 1.00 0.00 ATOM 1065 C VAL A 137 10.476 1.238 -26.584 1.00 0.00 ATOM 1066 N PHE A 138 11.776 1.040 -26.370 1.00 0.00 ATOM 1067 CA PHE A 138 12.505 1.595 -25.238 1.00 0.00 ATOM 1068 CB PHE A 138 12.970 0.514 -24.258 1.00 0.00 ATOM 1069 CG PHE A 138 11.876 -0.385 -23.709 1.00 0.00 ATOM 1070 CD1 PHE A 138 11.349 -1.387 -24.511 1.00 0.00 ATOM 1071 CD2 PHE A 138 11.394 -0.264 -22.410 1.00 0.00 ATOM 1072 CE1 PHE A 138 10.372 -2.229 -24.038 1.00 0.00 ATOM 1073 CE2 PHE A 138 10.402 -1.101 -21.927 1.00 0.00 ATOM 1074 CZ PHE A 138 9.898 -2.091 -22.740 1.00 0.00 ATOM 1075 O PHE A 138 14.300 1.993 -26.769 1.00 0.00 ATOM 1076 C PHE A 138 13.716 2.346 -25.747 1.00 0.00 ATOM 1077 N LYS A 139 14.097 3.367 -24.993 1.00 0.00 ATOM 1078 CA LYS A 139 15.268 4.169 -25.300 1.00 0.00 ATOM 1079 CB LYS A 139 14.931 5.661 -25.283 1.00 0.00 ATOM 1080 CG LYS A 139 16.104 6.566 -25.628 1.00 0.00 ATOM 1081 CD LYS A 139 15.730 8.033 -25.489 1.00 0.00 ATOM 1082 CE LYS A 139 16.929 8.934 -25.734 1.00 0.00 ATOM 1083 NZ LYS A 139 16.582 10.374 -25.574 1.00 0.00 ATOM 1084 O LYS A 139 16.006 3.735 -23.072 1.00 0.00 ATOM 1085 C LYS A 139 16.327 3.777 -24.257 1.00 0.00 ATOM 1086 N ALA A 140 17.619 3.501 -24.692 1.00 0.00 ATOM 1087 CA ALA A 140 18.739 3.165 -23.839 1.00 0.00 ATOM 1088 CB ALA A 140 19.762 2.278 -24.529 1.00 0.00 ATOM 1089 O ALA A 140 19.951 5.187 -24.056 1.00 0.00 ATOM 1090 C ALA A 140 19.466 4.365 -23.294 1.00 0.00 ATOM 1091 N LEU A 141 19.464 4.531 -21.948 1.00 0.00 ATOM 1092 CA LEU A 141 20.130 5.670 -21.322 1.00 0.00 ATOM 1093 CB LEU A 141 19.121 6.373 -20.470 1.00 0.00 ATOM 1094 CG LEU A 141 17.911 7.014 -21.151 1.00 0.00 ATOM 1095 CD1 LEU A 141 16.894 7.490 -20.126 1.00 0.00 ATOM 1096 CD2 LEU A 141 18.465 8.087 -22.129 1.00 0.00 ATOM 1097 O LEU A 141 21.065 4.174 -19.703 1.00 0.00 ATOM 1098 C LEU A 141 21.283 5.022 -20.568 1.00 0.00 ATOM 1099 N SER A 142 22.515 5.353 -20.941 1.00 0.00 ATOM 1100 CA SER A 142 23.714 4.797 -20.316 1.00 0.00 ATOM 1101 CB SER A 142 24.949 5.297 -21.215 1.00 0.00 ATOM 1102 OG SER A 142 25.161 6.691 -21.057 1.00 0.00 ATOM 1103 O SER A 142 23.351 6.189 -18.404 1.00 0.00 ATOM 1104 C SER A 142 24.070 5.352 -18.943 1.00 0.00 ATOM 1105 N ALA A 143 25.160 4.859 -18.357 1.00 0.00 ATOM 1106 CA ALA A 143 25.535 5.312 -17.021 1.00 0.00 ATOM 1107 CB ALA A 143 26.535 4.380 -16.445 1.00 0.00 ATOM 1108 O ALA A 143 26.096 7.314 -15.841 1.00 0.00 ATOM 1109 C ALA A 143 25.963 6.769 -16.937 1.00 0.00 ATOM 1110 N ARG A 144 26.107 7.417 -18.097 1.00 0.00 ATOM 1111 CA ARG A 144 26.471 8.827 -18.134 1.00 0.00 ATOM 1112 CB ARG A 144 26.743 9.307 -19.526 1.00 0.00 ATOM 1113 CG ARG A 144 28.099 8.792 -20.038 1.00 0.00 ATOM 1114 CD ARG A 144 28.313 9.037 -21.529 1.00 0.00 ATOM 1115 NE ARG A 144 28.566 10.432 -21.901 1.00 0.00 ATOM 1116 CZ ARG A 144 29.691 11.101 -21.649 1.00 0.00 ATOM 1117 NH1 ARG A 144 30.694 10.517 -21.004 1.00 0.00 ATOM 1118 NH2 ARG A 144 29.827 12.349 -22.078 1.00 0.00 ATOM 1119 O ARG A 144 25.652 10.573 -16.744 1.00 0.00 ATOM 1120 C ARG A 144 25.377 9.664 -17.510 1.00 0.00 ATOM 1121 N LYS A 145 24.123 9.371 -17.835 1.00 0.00 ATOM 1122 CA LYS A 145 23.005 10.213 -17.433 1.00 0.00 ATOM 1123 CB LYS A 145 23.006 11.477 -18.353 1.00 0.00 ATOM 1124 CG LYS A 145 23.113 11.136 -19.834 1.00 0.00 ATOM 1125 CD LYS A 145 23.231 12.383 -20.725 1.00 0.00 ATOM 1126 CE LYS A 145 24.662 12.898 -20.824 1.00 0.00 ATOM 1127 NZ LYS A 145 24.718 14.260 -21.451 1.00 0.00 ATOM 1128 O LYS A 145 21.380 8.551 -18.024 1.00 0.00 ATOM 1129 C LYS A 145 21.814 9.305 -17.149 1.00 0.00 ATOM 1130 N PRO A 146 21.268 9.365 -15.923 1.00 0.00 ATOM 1131 CA PRO A 146 21.703 10.217 -14.811 1.00 0.00 ATOM 1132 CB PRO A 146 20.691 9.888 -13.710 1.00 0.00 ATOM 1133 CG PRO A 146 19.457 9.551 -14.474 1.00 0.00 ATOM 1134 CD PRO A 146 20.003 8.685 -15.585 1.00 0.00 ATOM 1135 O PRO A 146 23.660 8.827 -14.657 1.00 0.00 ATOM 1136 C PRO A 146 23.136 9.905 -14.379 1.00 0.00 ATOM 1137 N ARG A 147 23.763 10.869 -13.705 1.00 0.00 ATOM 1138 CA ARG A 147 25.134 10.713 -13.216 1.00 0.00 ATOM 1139 CB ARG A 147 25.649 12.051 -12.660 1.00 0.00 ATOM 1140 CG ARG A 147 25.543 13.247 -13.541 1.00 0.00 ATOM 1141 CD ARG A 147 26.222 13.143 -14.871 1.00 0.00 ATOM 1142 NE ARG A 147 27.669 12.862 -14.767 1.00 0.00 ATOM 1143 CZ ARG A 147 28.678 13.685 -14.935 1.00 0.00 ATOM 1144 NH1 ARG A 147 29.913 13.259 -14.801 1.00 0.00 ATOM 1145 NH2 ARG A 147 28.501 14.942 -15.287 1.00 0.00 ATOM 1146 O ARG A 147 24.496 9.575 -11.196 1.00 0.00 ATOM 1147 C ARG A 147 25.325 9.678 -12.081 1.00 0.00 ATOM 1148 N PRO A 148 26.376 8.908 -12.171 1.00 0.00 ATOM 1149 CA PRO A 148 26.604 7.889 -11.139 1.00 0.00 ATOM 1150 CB PRO A 148 27.949 7.347 -11.527 1.00 0.00 ATOM 1151 CG PRO A 148 28.053 7.504 -13.047 1.00 0.00 ATOM 1152 CD PRO A 148 27.220 8.717 -13.381 1.00 0.00 ATOM 1153 O PRO A 148 26.007 7.897 -8.812 1.00 0.00 ATOM 1154 C PRO A 148 26.608 8.467 -9.723 1.00 0.00 ATOM 1155 N GLY A 149 27.241 9.587 -9.584 1.00 0.00 ATOM 1156 CA GLY A 149 27.299 10.212 -8.274 1.00 0.00 ATOM 1157 O GLY A 149 25.587 10.308 -6.547 1.00 0.00 ATOM 1158 C GLY A 149 25.914 10.555 -7.738 1.00 0.00 ATOM 1159 N GLU A 150 25.078 11.125 -8.613 1.00 0.00 ATOM 1160 CA GLU A 150 23.733 11.483 -8.175 1.00 0.00 ATOM 1161 CB GLU A 150 22.999 12.314 -9.232 1.00 0.00 ATOM 1162 CG GLU A 150 23.872 13.384 -9.859 1.00 0.00 ATOM 1163 CD GLU A 150 24.095 14.561 -8.928 1.00 0.00 ATOM 1164 OE1 GLU A 150 25.058 14.489 -8.130 1.00 0.00 ATOM 1165 OE2 GLU A 150 23.314 15.533 -9.003 1.00 0.00 ATOM 1166 O GLU A 150 22.086 10.293 -6.932 1.00 0.00 ATOM 1167 C GLU A 150 22.911 10.241 -7.851 1.00 0.00 ATOM 1168 N LEU A 151 23.138 9.172 -8.608 1.00 0.00 ATOM 1169 CA LEU A 151 22.351 7.958 -8.396 1.00 0.00 ATOM 1170 CB LEU A 151 22.693 6.971 -9.550 1.00 0.00 ATOM 1171 CG LEU A 151 22.221 7.374 -10.952 1.00 0.00 ATOM 1172 CD1 LEU A 151 22.746 6.387 -11.991 1.00 0.00 ATOM 1173 CD2 LEU A 151 20.700 7.427 -10.983 1.00 0.00 ATOM 1174 O LEU A 151 21.672 6.893 -6.487 1.00 0.00 ATOM 1175 C LEU A 151 22.590 7.358 -7.092 1.00 0.00 ATOM 1176 N ALA A 152 23.819 7.393 -6.578 1.00 0.00 ATOM 1177 CA ALA A 152 24.057 6.751 -5.284 1.00 0.00 ATOM 1178 CB ALA A 152 25.587 6.718 -5.027 1.00 0.00 ATOM 1179 O ALA A 152 22.779 6.796 -3.242 1.00 0.00 ATOM 1180 C ALA A 152 23.339 7.417 -4.146 1.00 0.00 ATOM 1181 N TYR A 153 23.380 8.781 -4.186 1.00 0.00 ATOM 1182 CA TYR A 153 22.693 9.561 -3.183 1.00 0.00 ATOM 1183 CB TYR A 153 22.910 11.081 -3.468 1.00 0.00 ATOM 1184 CG TYR A 153 22.063 11.967 -2.603 1.00 0.00 ATOM 1185 CD1 TYR A 153 22.501 12.429 -1.362 1.00 0.00 ATOM 1186 CD2 TYR A 153 20.784 12.360 -3.026 1.00 0.00 ATOM 1187 CE1 TYR A 153 21.699 13.252 -0.561 1.00 0.00 ATOM 1188 CE2 TYR A 153 19.988 13.156 -2.255 1.00 0.00 ATOM 1189 CZ TYR A 153 20.435 13.603 -1.030 1.00 0.00 ATOM 1190 OH TYR A 153 19.630 14.419 -0.263 1.00 0.00 ATOM 1191 O TYR A 153 20.546 9.146 -2.145 1.00 0.00 ATOM 1192 C TYR A 153 21.201 9.262 -3.156 1.00 0.00 ATOM 1193 N LYS A 154 20.689 9.195 -4.367 1.00 0.00 ATOM 1194 CA LYS A 154 19.235 8.949 -4.520 1.00 0.00 ATOM 1195 CB LYS A 154 18.829 9.112 -5.996 1.00 0.00 ATOM 1196 CG LYS A 154 19.233 10.453 -6.614 1.00 0.00 ATOM 1197 CD LYS A 154 18.881 10.513 -8.121 1.00 0.00 ATOM 1198 CE LYS A 154 19.296 11.858 -8.716 1.00 0.00 ATOM 1199 NZ LYS A 154 18.786 12.044 -10.108 1.00 0.00 ATOM 1200 O LYS A 154 17.865 7.488 -3.209 1.00 0.00 ATOM 1201 C LYS A 154 18.862 7.597 -3.928 1.00 0.00 ATOM 1202 N GLU A 155 19.673 6.595 -4.217 1.00 0.00 ATOM 1203 CA GLU A 155 19.416 5.251 -3.713 1.00 0.00 ATOM 1204 CB GLU A 155 20.339 4.299 -4.462 1.00 0.00 ATOM 1205 CG GLU A 155 20.340 2.877 -3.916 1.00 0.00 ATOM 1206 CD GLU A 155 21.405 2.030 -4.590 1.00 0.00 ATOM 1207 OE1 GLU A 155 21.981 2.398 -5.631 1.00 0.00 ATOM 1208 OE2 GLU A 155 21.695 0.954 -4.016 1.00 0.00 ATOM 1209 O GLU A 155 18.863 4.552 -1.504 1.00 0.00 ATOM 1210 C GLU A 155 19.572 5.234 -2.216 1.00 0.00 ATOM 1211 N GLU A 156 20.558 6.008 -1.713 1.00 0.00 ATOM 1212 CA GLU A 156 20.806 5.906 -0.277 1.00 0.00 ATOM 1213 CB GLU A 156 22.119 6.632 0.136 1.00 0.00 ATOM 1214 CG GLU A 156 23.396 6.006 -0.418 1.00 0.00 ATOM 1215 CD GLU A 156 24.605 6.872 -0.149 1.00 0.00 ATOM 1216 OE1 GLU A 156 24.543 7.849 0.615 1.00 0.00 ATOM 1217 OE2 GLU A 156 25.678 6.532 -0.723 1.00 0.00 ATOM 1218 O GLU A 156 19.217 5.899 1.559 1.00 0.00 ATOM 1219 C GLU A 156 19.613 6.437 0.551 1.00 0.00 ATOM 1220 N ALA A 157 18.990 7.500 0.043 1.00 0.00 ATOM 1221 CA ALA A 157 17.905 8.143 0.768 1.00 0.00 ATOM 1222 CB ALA A 157 17.441 9.410 0.029 1.00 0.00 ATOM 1223 O ALA A 157 16.674 6.278 -0.123 1.00 0.00 ATOM 1224 C ALA A 157 16.775 7.121 0.788 1.00 0.00 ENDMDL EXPDTA 2hboA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hboA ATOM 1 N ALA 12 4.112 -20.979 -1.028 1.00 0.00 ATOM 2 CA ALA 12 4.492 -21.974 -2.093 1.00 0.00 ATOM 3 CB ALA 12 3.437 -23.066 -2.203 1.00 0.00 ATOM 4 O ALA 12 3.874 -21.450 -4.361 1.00 0.00 ATOM 5 C ALA 12 4.715 -21.334 -3.457 1.00 0.00 ATOM 6 N ILE 13 5.865 -20.687 -3.617 1.00 0.00 ATOM 7 CA ILE 13 6.217 -20.048 -4.887 1.00 0.00 ATOM 8 CB ILE 13 7.460 -19.163 -4.757 1.00 0.00 ATOM 9 CG1 ILE 13 7.227 -18.042 -3.738 1.00 0.00 ATOM 10 CG2 ILE 13 7.798 -18.566 -6.079 1.00 0.00 ATOM 11 CD1 ILE 13 8.493 -17.290 -3.360 1.00 0.00 ATOM 12 O ILE 13 7.372 -21.978 -5.677 1.00 0.00 ATOM 13 C ILE 13 6.520 -21.121 -5.916 1.00 0.00 ATOM 14 N PRO 14 5.837 -21.086 -7.073 1.00 0.00 ATOM 15 CA PRO 14 6.130 -21.985 -8.180 1.00 0.00 ATOM 16 CB PRO 14 5.472 -21.276 -9.350 1.00 0.00 ATOM 17 CG PRO 14 4.233 -20.739 -8.709 1.00 0.00 ATOM 18 CD PRO 14 4.698 -20.209 -7.394 1.00 0.00 ATOM 19 O PRO 14 8.396 -21.265 -8.321 1.00 0.00 ATOM 20 C PRO 14 7.613 -22.193 -8.462 1.00 0.00 ATOM 21 N GLU 15 7.987 -23.404 -8.862 1.00 0.00 ATOM 22 CA GLU 15 9.396 -23.766 -8.952 1.00 0.00 ATOM 23 CB GLU 15 9.566 -25.225 -9.398 1.00 0.00 ATOM 24 CG GLU 15 10.923 -25.820 -9.057 1.00 0.00 ATOM 25 O GLU 15 9.558 -22.469 -10.969 1.00 0.00 ATOM 26 C GLU 15 10.111 -22.828 -9.925 1.00 0.00 ATOM 27 N GLY 16 11.318 -22.408 -9.556 1.00 0.00 ATOM 28 CA GLY 16 12.126 -21.527 -10.386 1.00 0.00 ATOM 29 O GLY 16 12.777 -19.245 -10.624 1.00 0.00 ATOM 30 C GLY 16 12.006 -20.044 -10.077 1.00 0.00 ATOM 31 N PHE 17 11.051 -19.666 -9.215 1.00 0.00 ATOM 32 CA PHE 17 10.800 -18.248 -8.917 1.00 0.00 ATOM 33 CB PHE 17 9.332 -17.891 -9.155 1.00 0.00 ATOM 34 CG PHE 17 8.960 -17.815 -10.603 1.00 0.00 ATOM 35 CD1 PHE 17 9.135 -16.649 -11.308 1.00 0.00 ATOM 36 CD2 PHE 17 8.486 -18.939 -11.267 1.00 0.00 ATOM 37 CE1 PHE 17 8.828 -16.588 -12.634 1.00 0.00 ATOM 38 CE2 PHE 17 8.160 -18.890 -12.605 1.00 0.00 ATOM 39 CZ PHE 17 8.326 -17.726 -13.294 1.00 0.00 ATOM 40 O PHE 17 11.011 -18.700 -6.563 1.00 0.00 ATOM 41 C PHE 17 11.164 -17.890 -7.482 1.00 0.00 ATOM 42 N SER 18 11.627 -16.659 -7.300 1.00 0.00 ATOM 43 CA SER 18 11.838 -16.111 -5.965 1.00 0.00 ATOM 44 CB SER 18 13.320 -16.129 -5.607 1.00 0.00 ATOM 45 OG SER 18 14.030 -15.244 -6.439 1.00 0.00 ATOM 46 O SER 18 11.172 -13.980 -6.925 1.00 0.00 ATOM 47 C SER 18 11.276 -14.682 -5.900 1.00 0.00 ATOM 48 N GLN 19 10.884 -14.275 -4.698 1.00 0.00 ATOM 49 CA GLN 19 10.220 -13.004 -4.530 1.00 0.00 ATOM 50 CB GLN 19 9.583 -12.886 -3.127 1.00 0.00 ATOM 51 CG GLN 19 8.668 -11.665 -2.986 1.00 0.00 ATOM 52 CD GLN 19 7.597 -11.811 -1.895 1.00 0.00 ATOM 53 OE1 GLN 19 7.049 -12.893 -1.666 1.00 0.00 ATOM 54 NE2 GLN 19 7.279 -10.701 -1.242 1.00 0.00 ATOM 55 O GLN 19 12.365 -11.912 -4.316 1.00 0.00 ATOM 56 C GLN 19 11.214 -11.871 -4.782 1.00 0.00 ATOM 57 N LEU 20 10.769 -10.869 -5.527 1.00 0.00 ATOM 58 CA LEU 20 11.505 -9.610 -5.645 1.00 0.00 ATOM 59 CB LEU 20 11.076 -8.818 -6.871 1.00 0.00 ATOM 60 CG LEU 20 11.661 -9.237 -8.193 1.00 0.00 ATOM 61 CD1 LEU 20 11.012 -8.468 -9.373 1.00 0.00 ATOM 62 CD2 LEU 20 13.162 -9.004 -8.178 1.00 0.00 ATOM 63 O LEU 20 10.041 -8.823 -3.942 1.00 0.00 ATOM 64 C LEU 20 11.163 -8.776 -4.446 1.00 0.00 ATOM 65 N ASN 21 12.115 -7.994 -3.997 1.00 0.00 ATOM 66 CA ASN 21 11.905 -7.215 -2.808 1.00 0.00 ATOM 67 CB ASN 21 12.769 -7.801 -1.688 1.00 0.00 ATOM 68 CG ASN 21 12.292 -9.196 -1.228 1.00 0.00 ATOM 69 ND2 ASN 21 13.237 -10.036 -0.799 1.00 0.00 ATOM 70 OD1 ASN 21 11.091 -9.496 -1.229 1.00 0.00 ATOM 71 O ASN 21 13.438 -5.488 -3.420 1.00 0.00 ATOM 72 C ASN 21 12.279 -5.771 -3.118 1.00 0.00 ATOM 73 N TRP 22 11.296 -4.870 -3.070 1.00 0.00 ATOM 74 CA TRP 22 11.575 -3.435 -3.013 1.00 0.00 ATOM 75 CB TRP 22 10.833 -2.682 -4.103 1.00 0.00 ATOM 76 CG TRP 22 11.154 -3.125 -5.463 1.00 0.00 ATOM 77 CD1 TRP 22 12.216 -2.734 -6.224 1.00 0.00 ATOM 78 CD2 TRP 22 10.404 -4.038 -6.254 1.00 0.00 ATOM 79 CE2 TRP 22 11.062 -4.154 -7.496 1.00 0.00 ATOM 80 CE3 TRP 22 9.236 -4.771 -6.037 1.00 0.00 ATOM 81 NE1 TRP 22 12.164 -3.345 -7.455 1.00 0.00 ATOM 82 CZ2 TRP 22 10.597 -4.978 -8.513 1.00 0.00 ATOM 83 CZ3 TRP 22 8.763 -5.578 -7.052 1.00 0.00 ATOM 84 CH2 TRP 22 9.455 -5.687 -8.273 1.00 0.00 ATOM 85 O TRP 22 10.330 -3.385 -0.944 1.00 0.00 ATOM 86 C TRP 22 11.188 -2.858 -1.654 1.00 0.00 ATOM 87 N SER 23 11.851 -1.782 -1.282 1.00 0.00 ATOM 88 CA SER 23 11.564 -1.119 -0.028 1.00 0.00 ATOM 89 CB SER 23 12.871 -0.628 0.586 1.00 0.00 ATOM 90 O SER 23 9.921 0.482 0.673 1.00 0.00 ATOM 91 C SER 23 10.606 0.058 -0.242 1.00 0.00 ATOM 92 N ARG 24 10.569 0.580 -1.466 1.00 0.00 ATOM 93 CA ARG 24 9.798 1.767 -1.764 1.00 0.00 ATOM 94 CB ARG 24 10.586 3.022 -1.379 1.00 0.00 ATOM 95 CG ARG 24 11.860 3.257 -2.191 1.00 0.00 ATOM 96 CD ARG 24 12.725 4.375 -1.556 1.00 0.00 ATOM 97 O ARG 24 9.938 0.942 -4.013 1.00 0.00 ATOM 98 C ARG 24 9.481 1.795 -3.248 1.00 0.00 ATOM 99 N GLY 25 8.711 2.794 -3.653 1.00 0.00 ATOM 100 CA GLY 25 8.480 3.009 -5.077 1.00 0.00 ATOM 101 O GLY 25 6.658 1.490 -4.856 1.00 0.00 ATOM 102 C GLY 25 7.347 2.165 -5.605 1.00 0.00 ATOM 103 N PHE 26 7.152 2.225 -6.910 1.00 0.00 ATOM 104 CA PHE 26 5.992 1.595 -7.553 1.00 0.00 ATOM 105 CB PHE 26 5.827 2.169 -8.959 1.00 0.00 ATOM 106 CG PHE 26 4.522 1.773 -9.640 1.00 0.00 ATOM 107 CD1 PHE 26 3.303 2.107 -9.069 1.00 0.00 ATOM 108 CD2 PHE 26 4.532 1.093 -10.851 1.00 0.00 ATOM 109 CE1 PHE 26 2.077 1.753 -9.695 1.00 0.00 ATOM 110 CE2 PHE 26 3.307 0.726 -11.476 1.00 0.00 ATOM 111 CZ PHE 26 2.115 1.053 -10.893 1.00 0.00 ATOM 112 O PHE 26 4.958 -0.544 -7.489 1.00 0.00 ATOM 113 C PHE 26 6.005 0.063 -7.606 1.00 0.00 ATOM 114 N GLY 27 7.166 -0.577 -7.755 1.00 0.00 ATOM 115 CA GLY 27 7.221 -2.049 -7.694 1.00 0.00 ATOM 116 O GLY 27 5.970 -3.703 -6.439 1.00 0.00 ATOM 117 C GLY 27 6.648 -2.660 -6.421 1.00 0.00 ATOM 118 N ARG 28 6.908 -2.014 -5.304 1.00 0.00 ATOM 119 CA ARG 28 6.350 -2.460 -4.052 1.00 0.00 ATOM 120 CB ARG 28 7.039 -1.771 -2.877 1.00 0.00 ATOM 121 CG ARG 28 6.352 -2.087 -1.568 1.00 0.00 ATOM 122 CD ARG 28 7.135 -1.742 -0.311 1.00 0.00 ATOM 123 NE ARG 28 6.499 -2.396 0.844 1.00 0.00 ATOM 124 CZ ARG 28 6.602 -3.703 1.145 1.00 0.00 ATOM 125 NH1 ARG 28 7.354 -4.531 0.411 1.00 0.00 ATOM 126 NH2 ARG 28 5.954 -4.189 2.197 1.00 0.00 ATOM 127 O ARG 28 4.118 -2.976 -3.317 1.00 0.00 ATOM 128 C ARG 28 4.849 -2.211 -3.959 1.00 0.00 ATOM 129 N GLN 29 4.405 -1.090 -4.518 1.00 0.00 ATOM 130 CA GLN 29 2.979 -0.805 -4.570 1.00 0.00 ATOM 131 CB GLN 29 2.696 0.482 -5.351 1.00 0.00 ATOM 132 CG GLN 29 2.246 1.685 -4.659 1.00 0.00 ATOM 133 CD GLN 29 1.948 1.541 -3.187 1.00 0.00 ATOM 134 OE1 GLN 29 2.850 1.321 -2.385 1.00 0.00 ATOM 135 NE2 GLN 29 0.701 1.733 -2.818 1.00 0.00 ATOM 136 O GLN 29 1.141 -2.293 -4.901 1.00 0.00 ATOM 137 C GLN 29 2.255 -1.937 -5.277 1.00 0.00 ATOM 138 N ILE 30 2.850 -2.484 -6.331 1.00 0.00 ATOM 139 CA ILE 30 2.107 -3.468 -7.143 1.00 0.00 ATOM 140 CB ILE 30 2.103 -3.109 -8.630 1.00 0.00 ATOM 141 CG1 ILE 30 3.492 -3.277 -9.264 1.00 0.00 ATOM 142 CG2 ILE 30 1.546 -1.691 -8.806 1.00 0.00 ATOM 143 CD1 ILE 30 3.437 -3.089 -10.793 1.00 0.00 ATOM 144 O ILE 30 2.073 -5.841 -7.548 1.00 0.00 ATOM 145 C ILE 30 2.561 -4.909 -6.924 1.00 0.00 ATOM 146 N GLY 31 3.474 -5.095 -5.990 1.00 0.00 ATOM 147 CA GLY 31 3.893 -6.433 -5.643 1.00 0.00 ATOM 148 O GLY 31 1.722 -6.661 -4.611 1.00 0.00 ATOM 149 C GLY 31 2.841 -7.175 -4.846 1.00 0.00 ATOM 150 N PRO 32 3.206 -8.377 -4.372 1.00 0.00 ATOM 151 CA PRO 32 4.510 -9.032 -4.571 1.00 0.00 ATOM 152 CB PRO 32 4.442 -10.266 -3.642 1.00 0.00 ATOM 153 CG PRO 32 3.272 -10.021 -2.741 1.00 0.00 ATOM 154 CD PRO 32 2.321 -9.163 -3.494 1.00 0.00 ATOM 155 O PRO 32 3.812 -10.012 -6.625 1.00 0.00 ATOM 156 C PRO 32 4.742 -9.501 -5.986 1.00 0.00 ATOM 157 N LEU 33 5.943 -9.259 -6.495 1.00 0.00 ATOM 158 CA LEU 33 6.370 -9.809 -7.781 1.00 0.00 ATOM 159 CB LEU 33 6.893 -8.710 -8.717 1.00 0.00 ATOM 160 CG LEU 33 6.020 -7.469 -8.878 1.00 0.00 ATOM 161 CD1 LEU 33 6.633 -6.530 -9.939 1.00 0.00 ATOM 162 CD2 LEU 33 4.616 -7.836 -9.245 1.00 0.00 ATOM 163 O LEU 33 8.203 -10.749 -6.548 1.00 0.00 ATOM 164 C LEU 33 7.493 -10.813 -7.562 1.00 0.00 ATOM 165 N PHE 34 7.642 -11.723 -8.522 1.00 0.00 ATOM 166 CA PHE 34 8.653 -12.764 -8.455 1.00 0.00 ATOM 167 CB PHE 34 8.008 -14.118 -8.189 1.00 0.00 ATOM 168 CG PHE 34 7.115 -14.116 -7.005 1.00 0.00 ATOM 169 CD1 PHE 34 5.854 -13.549 -7.083 1.00 0.00 ATOM 170 CD2 PHE 34 7.520 -14.662 -5.807 1.00 0.00 ATOM 171 CE1 PHE 34 5.020 -13.518 -5.961 1.00 0.00 ATOM 172 CE2 PHE 34 6.691 -14.629 -4.716 1.00 0.00 ATOM 173 CZ PHE 34 5.426 -14.083 -4.818 1.00 0.00 ATOM 174 O PHE 34 8.883 -12.545 -10.828 1.00 0.00 ATOM 175 C PHE 34 9.440 -12.793 -9.732 1.00 0.00 ATOM 176 N GLU 35 10.727 -13.121 -9.613 1.00 0.00 ATOM 177 CA GLU 35 11.619 -13.257 -10.777 1.00 0.00 ATOM 178 CB GLU 35 12.799 -12.274 -10.724 1.00 0.00 ATOM 179 CG GLU 35 13.703 -12.434 -9.488 1.00 0.00 ATOM 180 CD GLU 35 14.948 -11.534 -9.512 1.00 0.00 ATOM 181 OE1 GLU 35 15.321 -11.035 -10.589 1.00 0.00 ATOM 182 OE2 GLU 35 15.549 -11.337 -8.438 1.00 0.00 ATOM 183 O GLU 35 12.353 -15.382 -9.872 1.00 0.00 ATOM 184 C GLU 35 12.132 -14.686 -10.881 1.00 0.00 ATOM 185 N HIS 36 12.317 -15.132 -12.116 1.00 0.00 ATOM 186 CA HIS 36 12.817 -16.461 -12.359 1.00 0.00 ATOM 187 CB HIS 36 12.589 -16.864 -13.818 1.00 0.00 ATOM 188 CG HIS 36 12.713 -18.335 -14.050 1.00 0.00 ATOM 189 CD2 HIS 36 11.767 -19.287 -14.245 1.00 0.00 ATOM 190 ND1 HIS 36 13.931 -18.984 -14.095 1.00 0.00 ATOM 191 CE1 HIS 36 13.727 -20.273 -14.304 1.00 0.00 ATOM 192 NE2 HIS 36 12.422 -20.482 -14.398 1.00 0.00 ATOM 193 O HIS 36 15.023 -15.517 -12.406 1.00 0.00 ATOM 194 C HIS 36 14.313 -16.472 -12.091 1.00 0.00 ATOM 195 N ARG 37 14.781 -17.573 -11.534 1.00 0.00 ATOM 196 CA ARG 37 16.197 -17.775 -11.298 1.00 0.00 ATOM 197 CB ARG 37 16.418 -19.082 -10.527 1.00 0.00 ATOM 198 CG ARG 37 16.096 -20.321 -11.354 1.00 0.00 ATOM 199 CD ARG 37 16.358 -21.643 -10.629 1.00 0.00 ATOM 200 NE ARG 37 15.997 -22.753 -11.521 1.00 0.00 ATOM 201 CZ ARG 37 15.461 -23.912 -11.136 1.00 0.00 ATOM 202 NH1 ARG 37 15.215 -24.164 -9.861 1.00 0.00 ATOM 203 NH2 ARG 37 15.164 -24.833 -12.047 1.00 0.00 ATOM 204 O ARG 37 16.405 -17.992 -13.697 1.00 0.00 ATOM 205 C ARG 37 16.969 -17.809 -12.612 1.00 0.00 ATOM 206 N GLU 38 18.284 -17.658 -12.478 1.00 0.00 ATOM 207 CA GLU 38 19.224 -17.676 -13.594 1.00 0.00 ATOM 208 CB GLU 38 20.650 -17.449 -13.068 1.00 0.00 ATOM 209 CG GLU 38 21.620 -17.070 -14.144 1.00 0.00 ATOM 210 O GLU 38 18.827 -20.034 -13.818 1.00 0.00 ATOM 211 C GLU 38 19.157 -18.991 -14.376 1.00 0.00 ATOM 212 N GLY 39 19.470 -18.921 -15.666 1.00 0.00 ATOM 213 CA GLY 39 19.356 -20.063 -16.576 1.00 0.00 ATOM 214 O GLY 39 17.548 -18.883 -17.594 1.00 0.00 ATOM 215 C GLY 39 18.106 -19.972 -17.433 1.00 0.00 ATOM 216 N PRO 40 17.655 -21.118 -17.989 1.00 0.00 ATOM 217 CA PRO 40 16.396 -21.102 -18.733 1.00 0.00 ATOM 218 CB PRO 40 16.128 -22.591 -19.027 1.00 0.00 ATOM 219 CG PRO 40 17.515 -23.218 -19.047 1.00 0.00 ATOM 220 CD PRO 40 18.281 -22.458 -17.980 1.00 0.00 ATOM 221 O PRO 40 15.004 -20.763 -16.812 1.00 0.00 ATOM 222 C PRO 40 15.238 -20.452 -17.981 1.00 0.00 ATOM 223 N GLY 41 14.540 -19.546 -18.658 1.00 0.00 ATOM 224 CA GLY 41 13.360 -18.871 -18.113 1.00 0.00 ATOM 225 O GLY 41 12.779 -17.001 -16.752 1.00 0.00 ATOM 226 C GLY 41 13.691 -17.630 -17.305 1.00 0.00 ATOM 227 N GLN 42 14.988 -17.257 -17.231 1.00 0.00 ATOM 228 CA GLN 42 15.414 -16.107 -16.419 1.00 0.00 ATOM 229 CB GLN 42 16.927 -15.834 -16.495 1.00 0.00 ATOM 230 CG GLN 42 17.280 -14.800 -15.435 1.00 0.00 ATOM 231 CD GLN 42 18.748 -14.546 -15.246 1.00 0.00 ATOM 232 OE1 GLN 42 19.149 -14.133 -14.177 1.00 0.00 ATOM 233 NE2 GLN 42 19.543 -14.771 -16.279 1.00 0.00 ATOM 234 O GLN 42 14.423 -14.012 -15.857 1.00 0.00 ATOM 235 C GLN 42 14.684 -14.817 -16.753 1.00 0.00 ATOM 236 N ALA 43 14.311 -14.647 -18.009 1.00 0.00 ATOM 237 CA ALA 43 13.646 -13.428 -18.470 1.00 0.00 ATOM 238 CB ALA 43 13.630 -13.370 -20.021 1.00 0.00 ATOM 239 O ALA 43 11.641 -12.207 -18.111 1.00 0.00 ATOM 240 C ALA 43 12.229 -13.281 -17.933 1.00 0.00 ATOM 241 N ARG 44 11.703 -14.316 -17.238 1.00 0.00 ATOM 242 CA ARG 44 10.329 -14.316 -16.736 1.00 0.00 ATOM 243 CB ARG 44 9.776 -15.751 -16.635 1.00 0.00 ATOM 244 CG ARG 44 9.586 -16.362 -17.984 1.00 0.00 ATOM 245 CD ARG 44 9.330 -17.846 -17.955 1.00 0.00 ATOM 246 NE ARG 44 9.099 -18.355 -19.314 1.00 0.00 ATOM 247 CZ ARG 44 8.785 -19.615 -19.603 1.00 0.00 ATOM 248 NH1 ARG 44 8.650 -20.504 -18.634 1.00 0.00 ATOM 249 NH2 ARG 44 8.573 -19.975 -20.856 1.00 0.00 ATOM 250 O ARG 44 11.011 -13.833 -14.482 1.00 0.00 ATOM 251 C ARG 44 10.202 -13.638 -15.374 1.00 0.00 ATOM 252 N LEU 45 9.192 -12.794 -15.270 1.00 0.00 ATOM 253 CA LEU 45 8.649 -12.362 -14.016 1.00 0.00 ATOM 254 CB LEU 45 8.444 -10.853 -14.010 1.00 0.00 ATOM 255 CG LEU 45 9.579 -9.856 -13.916 1.00 0.00 ATOM 256 CD1 LEU 45 9.009 -8.452 -13.617 1.00 0.00 ATOM 257 CD2 LEU 45 10.576 -10.262 -12.865 1.00 0.00 ATOM 258 O LEU 45 6.662 -13.520 -14.767 1.00 0.00 ATOM 259 C LEU 45 7.288 -13.036 -13.813 1.00 0.00 ATOM 260 N ALA 46 6.823 -12.991 -12.587 1.00 0.00 ATOM 261 CA ALA 46 5.518 -13.526 -12.202 1.00 0.00 ATOM 262 CB ALA 46 5.615 -14.996 -11.901 1.00 0.00 ATOM 263 O ALA 46 5.645 -12.141 -10.198 1.00 0.00 ATOM 264 C ALA 46 4.941 -12.790 -11.015 1.00 0.00 ATOM 265 N PHE 47 3.631 -12.863 -10.939 1.00 0.00 ATOM 266 CA PHE 47 2.922 -12.449 -9.740 1.00 0.00 ATOM 267 CB PHE 47 2.617 -10.933 -9.765 1.00 0.00 ATOM 268 CG PHE 47 1.410 -10.526 -10.588 1.00 0.00 ATOM 269 CD1 PHE 47 1.500 -10.415 -11.959 1.00 0.00 ATOM 270 CD2 PHE 47 0.182 -10.236 -9.968 1.00 0.00 ATOM 271 CE1 PHE 47 0.422 -10.005 -12.705 1.00 0.00 ATOM 272 CE2 PHE 47 -0.912 -9.831 -10.707 1.00 0.00 ATOM 273 CZ PHE 47 -0.816 -9.746 -12.077 1.00 0.00 ATOM 274 O PHE 47 1.162 -13.965 -10.366 1.00 0.00 ATOM 275 C PHE 47 1.682 -13.308 -9.484 1.00 0.00 ATOM 276 N ARG 48 1.268 -13.347 -8.225 1.00 0.00 ATOM 277 CA ARG 48 -0.009 -13.925 -7.853 1.00 0.00 ATOM 278 CB ARG 48 0.121 -14.658 -6.532 1.00 0.00 ATOM 279 CG ARG 48 -1.155 -15.194 -5.990 1.00 0.00 ATOM 280 CD ARG 48 -0.962 -16.603 -5.523 1.00 0.00 ATOM 281 NE ARG 48 -1.299 -17.514 -6.595 1.00 0.00 ATOM 282 CZ ARG 48 -0.643 -18.624 -6.912 1.00 0.00 ATOM 283 NH1 ARG 48 0.464 -18.993 -6.275 1.00 0.00 ATOM 284 NH2 ARG 48 -1.099 -19.356 -7.911 1.00 0.00 ATOM 285 O ARG 48 -0.793 -11.840 -7.026 1.00 0.00 ATOM 286 C ARG 48 -1.041 -12.808 -7.704 1.00 0.00 ATOM 287 N VAL 49 -2.190 -12.959 -8.345 1.00 0.00 ATOM 288 CA VAL 49 -3.246 -11.964 -8.244 1.00 0.00 ATOM 289 CB VAL 49 -4.386 -12.250 -9.233 1.00 0.00 ATOM 290 CG1 VAL 49 -5.472 -11.161 -9.127 1.00 0.00 ATOM 291 CG2 VAL 49 -3.817 -12.397 -10.667 1.00 0.00 ATOM 292 O VAL 49 -4.316 -12.961 -6.308 1.00 0.00 ATOM 293 C VAL 49 -3.773 -11.959 -6.809 1.00 0.00 ATOM 294 N GLU 50 -3.625 -10.815 -6.163 1.00 0.00 ATOM 295 CA GLU 50 -4.075 -10.617 -4.807 1.00 0.00 ATOM 296 CB GLU 50 -2.895 -10.187 -3.945 1.00 0.00 ATOM 297 CG GLU 50 -1.805 -11.230 -3.847 1.00 0.00 ATOM 298 CD GLU 50 -2.204 -12.428 -3.005 1.00 0.00 ATOM 299 OE1 GLU 50 -3.256 -12.366 -2.330 1.00 0.00 ATOM 300 OE2 GLU 50 -1.459 -13.421 -2.973 1.00 0.00 ATOM 301 O GLU 50 -5.366 -8.880 -5.875 1.00 0.00 ATOM 302 C GLU 50 -5.143 -9.534 -4.840 1.00 0.00 ATOM 303 N GLU 51 -5.800 -9.326 -3.719 1.00 0.00 ATOM 304 CA GLU 51 -6.940 -8.442 -3.703 1.00 0.00 ATOM 305 CB GLU 51 -7.547 -8.374 -2.297 1.00 0.00 ATOM 306 CG GLU 51 -8.796 -7.532 -2.238 1.00 0.00 ATOM 307 O GLU 51 -7.417 -6.388 -4.788 1.00 0.00 ATOM 308 C GLU 51 -6.598 -7.037 -4.173 1.00 0.00 ATOM 309 N HIS 52 -5.390 -6.580 -3.873 1.00 0.00 ATOM 310 CA HIS 52 -4.985 -5.206 -4.197 1.00 0.00 ATOM 311 CB HIS 52 -3.824 -4.721 -3.316 1.00 0.00 ATOM 312 CG HIS 52 -2.649 -5.647 -3.282 1.00 0.00 ATOM 313 CD2 HIS 52 -1.456 -5.596 -3.921 1.00 0.00 ATOM 314 ND1 HIS 52 -2.606 -6.766 -2.477 1.00 0.00 ATOM 315 CE1 HIS 52 -1.452 -7.384 -2.648 1.00 0.00 ATOM 316 NE2 HIS 52 -0.733 -6.694 -3.513 1.00 0.00 ATOM 317 O HIS 52 -4.260 -3.975 -6.096 1.00 0.00 ATOM 318 C HIS 52 -4.623 -5.063 -5.665 1.00 0.00 ATOM 319 N HIS 53 -4.661 -6.172 -6.405 1.00 0.00 ATOM 320 CA HIS 53 -4.478 -6.175 -7.848 1.00 0.00 ATOM 321 CB HIS 53 -3.771 -7.457 -8.232 1.00 0.00 ATOM 322 CG HIS 53 -2.376 -7.537 -7.729 1.00 0.00 ATOM 323 CD2 HIS 53 -1.376 -6.624 -7.733 1.00 0.00 ATOM 324 ND1 HIS 53 -1.867 -8.663 -7.140 1.00 0.00 ATOM 325 CE1 HIS 53 -0.597 -8.453 -6.831 1.00 0.00 ATOM 326 NE2 HIS 53 -0.271 -7.231 -7.206 1.00 0.00 ATOM 327 O HIS 53 -5.774 -5.860 -9.882 1.00 0.00 ATOM 328 C HIS 53 -5.774 -6.103 -8.651 1.00 0.00 ATOM 329 N THR 54 -6.869 -6.335 -7.955 1.00 0.00 ATOM 330 CA THR 54 -8.118 -6.616 -8.589 1.00 0.00 ATOM 331 CB THR 54 -8.922 -7.683 -7.801 1.00 0.00 ATOM 332 CG2 THR 54 -8.095 -8.955 -7.652 1.00 0.00 ATOM 333 OG1 THR 54 -9.267 -7.161 -6.523 1.00 0.00 ATOM 334 O THR 54 -8.669 -4.297 -8.257 1.00 0.00 ATOM 335 C THR 54 -8.962 -5.385 -8.758 1.00 0.00 ATOM 336 N ASN 55 -10.060 -5.617 -9.449 1.00 0.00 ATOM 337 CA ASN 55 -11.039 -4.615 -9.728 1.00 0.00 ATOM 338 CB ASN 55 -11.640 -4.920 -11.104 1.00 0.00 ATOM 339 CG ASN 55 -12.317 -6.308 -11.173 1.00 0.00 ATOM 340 ND2 ASN 55 -12.734 -6.677 -12.369 1.00 0.00 ATOM 341 OD1 ASN 55 -12.457 -7.028 -10.167 1.00 0.00 ATOM 342 O ASN 55 -13.123 -3.930 -8.812 1.00 0.00 ATOM 343 C ASN 55 -12.111 -4.581 -8.635 1.00 0.00 ATOM 344 N GLY 56 -11.861 -5.273 -7.509 1.00 0.00 ATOM 345 CA GLY 56 -12.779 -5.365 -6.363 1.00 0.00 ATOM 346 O GLY 56 -14.686 -6.653 -5.651 1.00 0.00 ATOM 347 C GLY 56 -13.841 -6.446 -6.530 1.00 0.00 ATOM 348 N LEU 57 -13.787 -7.139 -7.664 1.00 0.00 ATOM 349 CA LEU 57 -14.788 -8.117 -8.049 1.00 0.00 ATOM 350 CB LEU 57 -15.581 -7.576 -9.243 1.00 0.00 ATOM 351 CG LEU 57 -16.364 -6.289 -8.952 1.00 0.00 ATOM 352 CD1 LEU 57 -16.949 -5.720 -10.236 1.00 0.00 ATOM 353 CD2 LEU 57 -17.452 -6.540 -7.928 1.00 0.00 ATOM 354 O LEU 57 -14.737 -10.303 -9.074 1.00 0.00 ATOM 355 C LEU 57 -14.139 -9.467 -8.388 1.00 0.00 ATOM 356 N GLY 58 -12.930 -9.681 -7.873 1.00 0.00 ATOM 357 CA GLY 58 -12.249 -10.944 -8.032 1.00 0.00 ATOM 358 O GLY 58 -10.732 -12.075 -9.474 1.00 0.00 ATOM 359 C GLY 58 -11.378 -11.046 -9.276 1.00 0.00 ATOM 360 N ASN 59 -11.344 -10.014 -10.121 1.00 0.00 ATOM 361 CA ASN 59 -10.491 -10.072 -11.327 1.00 0.00 ATOM 362 CB ASN 59 -11.335 -9.956 -12.581 1.00 0.00 ATOM 363 CG ASN 59 -12.217 -11.166 -12.798 1.00 0.00 ATOM 364 ND2 ASN 59 -11.966 -11.892 -13.867 1.00 0.00 ATOM 365 OD1 ASN 59 -13.122 -11.428 -12.014 1.00 0.00 ATOM 366 O ASN 59 -9.548 -7.890 -10.940 1.00 0.00 ATOM 367 C ASN 59 -9.373 -9.033 -11.370 1.00 0.00 ATOM 368 N CYS 60 -8.241 -9.441 -11.934 1.00 0.00 ATOM 369 CA CYS 60 -7.067 -8.593 -12.047 1.00 0.00 ATOM 370 CB CYS 60 -5.875 -9.327 -12.707 1.00 0.00 ATOM 371 SG CYS 60 -4.310 -8.516 -12.397 1.00 0.00 ATOM 372 O CYS 60 -8.053 -7.572 -13.957 1.00 0.00 ATOM 373 C CYS 60 -7.446 -7.410 -12.894 1.00 0.00 ATOM 374 N HIS 61 -7.076 -6.222 -12.434 1.00 0.00 ATOM 375 CA HIS 61 -7.279 -5.011 -13.180 1.00 0.00 ATOM 376 CB HIS 61 -7.011 -3.781 -12.309 1.00 0.00 ATOM 377 CG HIS 61 -7.629 -2.534 -12.846 1.00 0.00 ATOM 378 CD2 HIS 61 -8.797 -1.916 -12.547 1.00 0.00 ATOM 379 ND1 HIS 61 -7.037 -1.782 -13.835 1.00 0.00 ATOM 380 CE1 HIS 61 -7.816 -0.754 -14.126 1.00 0.00 ATOM 381 NE2 HIS 61 -8.896 -0.820 -13.371 1.00 0.00 ATOM 382 O HIS 61 -5.180 -5.357 -14.266 1.00 0.00 ATOM 383 C HIS 61 -6.349 -5.002 -14.373 1.00 0.00 ATOM 384 N GLY 62 -6.881 -4.585 -15.510 1.00 0.00 ATOM 385 CA GLY 62 -6.095 -4.519 -16.745 1.00 0.00 ATOM 386 O GLY 62 -3.903 -3.741 -17.301 1.00 0.00 ATOM 387 C GLY 62 -4.938 -3.565 -16.630 1.00 0.00 ATOM 388 N GLY 63 -5.085 -2.545 -15.766 1.00 0.00 ATOM 389 CA GLY 63 -4.009 -1.580 -15.519 1.00 0.00 ATOM 390 O GLY 63 -1.703 -1.935 -15.072 1.00 0.00 ATOM 391 C GLY 63 -2.855 -2.244 -14.813 1.00 0.00 ATOM 392 N MET 64 -3.159 -3.175 -13.905 1.00 0.00 ATOM 393 CA MET 64 -2.130 -3.992 -13.282 1.00 0.00 ATOM 394 CB MET 64 -2.688 -4.925 -12.169 1.00 0.00 ATOM 395 CG MET 64 -1.633 -5.973 -11.696 1.00 0.00 ATOM 396 SD MET 64 -0.165 -4.863 -10.829 1.00 0.00 ATOM 397 CE MET 64 0.952 -6.381 -10.793 1.00 0.00 ATOM 398 O MET 64 -0.181 -4.826 -14.325 1.00 0.00 ATOM 399 C MET 64 -1.408 -4.814 -14.307 1.00 0.00 ATOM 400 N LEU 65 -2.147 -5.521 -15.161 1.00 0.00 ATOM 401 CA LEU 65 -1.501 -6.339 -16.177 1.00 0.00 ATOM 402 CB LEU 65 -2.510 -7.149 -16.984 1.00 0.00 ATOM 403 CG LEU 65 -3.177 -8.292 -16.203 1.00 0.00 ATOM 404 CD1 LEU 65 -4.290 -8.921 -17.029 1.00 0.00 ATOM 405 CD2 LEU 65 -2.163 -9.340 -15.793 1.00 0.00 ATOM 406 O LEU 65 0.438 -5.976 -17.517 1.00 0.00 ATOM 407 C LEU 65 -0.595 -5.499 -17.113 1.00 0.00 ATOM 408 N MET 66 -0.930 -4.244 -17.376 1.00 0.00 ATOM 409 CA MET 66 -0.073 -3.410 -18.255 1.00 0.00 ATOM 410 CB MET 66 -0.736 -2.086 -18.649 1.00 0.00 ATOM 411 CG MET 66 -2.147 -2.123 -19.055 1.00 0.00 ATOM 412 SD MET 66 -2.344 -2.374 -20.941 1.00 0.00 ATOM 413 CE MET 66 -0.765 -1.593 -21.481 1.00 0.00 ATOM 414 O MET 66 2.270 -2.960 -18.177 1.00 0.00 ATOM 415 C MET 66 1.205 -2.997 -17.552 1.00 0.00 ATOM 416 N SER 67 1.075 -2.618 -16.264 1.00 0.00 ATOM 417 CA SER 67 2.229 -2.296 -15.439 1.00 0.00 ATOM 418 CB SER 67 1.829 -1.912 -14.022 1.00 0.00 ATOM 419 OG SER 67 0.989 -0.787 -13.989 1.00 0.00 ATOM 420 O SER 67 4.360 -3.379 -15.508 1.00 0.00 ATOM 421 C SER 67 3.141 -3.505 -15.359 1.00 0.00 ATOM 422 N PHE 68 2.547 -4.675 -15.129 1.00 0.00 ATOM 423 CA PHE 68 3.319 -5.919 -15.084 1.00 0.00 ATOM 424 CB PHE 68 2.429 -7.100 -14.731 1.00 0.00 ATOM 425 CG PHE 68 3.177 -8.403 -14.672 1.00 0.00 ATOM 426 CD1 PHE 68 4.098 -8.640 -13.637 1.00 0.00 ATOM 427 CD2 PHE 68 3.010 -9.361 -15.660 1.00 0.00 ATOM 428 CE1 PHE 68 4.808 -9.842 -13.586 1.00 0.00 ATOM 429 CE2 PHE 68 3.711 -10.560 -15.615 1.00 0.00 ATOM 430 CZ PHE 68 4.586 -10.800 -14.538 1.00 0.00 ATOM 431 O PHE 68 5.174 -6.577 -16.459 1.00 0.00 ATOM 432 C PHE 68 4.007 -6.189 -16.428 1.00 0.00 ATOM 433 N ALA 69 3.300 -6.003 -17.532 1.00 0.00 ATOM 434 CA ALA 69 3.949 -6.181 -18.857 1.00 0.00 ATOM 435 CB ALA 69 2.950 -6.053 -19.998 1.00 0.00 ATOM 436 O ALA 69 6.168 -5.614 -19.679 1.00 0.00 ATOM 437 C ALA 69 5.144 -5.235 -19.075 1.00 0.00 ATOM 438 N ASP 70 4.981 -3.989 -18.659 1.00 0.00 ATOM 439 CA ASP 70 6.047 -2.999 -18.754 1.00 0.00 ATOM 440 CB ASP 70 5.606 -1.683 -18.074 1.00 0.00 ATOM 441 CG ASP 70 6.594 -0.569 -18.317 1.00 0.00 ATOM 442 OD1 ASP 70 6.880 -0.281 -19.493 1.00 0.00 ATOM 443 OD2 ASP 70 7.153 -0.044 -17.356 1.00 0.00 ATOM 444 O ASP 70 8.404 -3.582 -18.692 1.00 0.00 ATOM 445 C ASP 70 7.329 -3.539 -18.073 1.00 0.00 ATOM 446 N MET 71 7.193 -3.973 -16.825 1.00 0.00 ATOM 447 CA MET 71 8.331 -4.484 -16.045 1.00 0.00 ATOM 448 CB MET 71 7.952 -4.586 -14.562 1.00 0.00 ATOM 449 CG MET 71 7.505 -3.258 -13.945 1.00 0.00 ATOM 450 SD MET 71 6.905 -3.441 -12.107 1.00 0.00 ATOM 451 CE MET 71 5.537 -4.707 -12.394 1.00 0.00 ATOM 452 O MET 71 10.045 -6.054 -16.768 1.00 0.00 ATOM 453 C MET 71 8.824 -5.847 -16.574 1.00 0.00 ATOM 454 N ALA 72 7.893 -6.768 -16.840 1.00 0.00 ATOM 455 CA ALA 72 8.260 -8.070 -17.397 1.00 0.00 ATOM 456 CB ALA 72 7.035 -8.952 -17.520 1.00 0.00 ATOM 457 O ALA 72 10.043 -8.669 -18.888 1.00 0.00 ATOM 458 C ALA 72 9.025 -7.975 -18.732 1.00 0.00 ATOM 459 N TRP 73 8.549 -7.150 -19.680 1.00 0.00 ATOM 460 CA TRP 73 9.151 -7.049 -20.982 1.00 0.00 ATOM 461 CB TRP 73 8.155 -6.572 -22.086 1.00 0.00 ATOM 462 CG TRP 73 6.887 -7.381 -22.151 1.00 0.00 ATOM 463 CD1 TRP 73 6.653 -8.587 -21.534 1.00 0.00 ATOM 464 CD2 TRP 73 5.672 -7.040 -22.835 1.00 0.00 ATOM 465 CE2 TRP 73 4.752 -8.092 -22.587 1.00 0.00 ATOM 466 CE3 TRP 73 5.262 -5.946 -23.614 1.00 0.00 ATOM 467 NE1 TRP 73 5.385 -9.012 -21.788 1.00 0.00 ATOM 468 CZ2 TRP 73 3.449 -8.080 -23.082 1.00 0.00 ATOM 469 CZ3 TRP 73 3.951 -5.943 -24.145 1.00 0.00 ATOM 470 CH2 TRP 73 3.076 -7.019 -23.890 1.00 0.00 ATOM 471 O TRP 73 11.451 -6.610 -21.538 1.00 0.00 ATOM 472 C TRP 73 10.461 -6.221 -20.953 1.00 0.00 ATOM 473 N GLY 74 10.485 -5.125 -20.212 1.00 0.00 ATOM 474 CA GLY 74 11.748 -4.409 -19.993 1.00 0.00 ATOM 475 O GLY 74 14.002 -4.823 -19.410 1.00 0.00 ATOM 476 C GLY 74 12.843 -5.165 -19.253 1.00 0.00 ATOM 477 N ARG 75 12.507 -6.172 -18.452 1.00 0.00 ATOM 478 CA ARG 75 13.485 -7.023 -17.773 1.00 0.00 ATOM 479 CB ARG 75 12.802 -8.256 -17.178 1.00 0.00 ATOM 480 CG ARG 75 13.706 -9.245 -16.443 1.00 0.00 ATOM 481 CD ARG 75 12.884 -10.235 -15.605 1.00 0.00 ATOM 482 NE ARG 75 13.661 -11.327 -15.012 1.00 0.00 ATOM 483 CZ ARG 75 14.368 -11.248 -13.881 1.00 0.00 ATOM 484 NH1 ARG 75 14.452 -10.120 -13.188 1.00 0.00 ATOM 485 NH2 ARG 75 15.011 -12.313 -13.437 1.00 0.00 ATOM 486 O ARG 75 15.774 -7.620 -18.308 1.00 0.00 ATOM 487 C ARG 75 14.620 -7.480 -18.734 1.00 0.00 ATOM 488 N ILE 76 14.268 -7.754 -19.990 1.00 0.00 ATOM 489 CA ILE 76 15.243 -8.045 -21.061 1.00 0.00 ATOM 490 CB ILE 76 14.555 -7.913 -22.480 1.00 0.00 ATOM 491 CG1 ILE 76 13.568 -9.039 -22.690 1.00 0.00 ATOM 492 CG2 ILE 76 15.562 -7.903 -23.615 1.00 0.00 ATOM 493 CD1 ILE 76 14.103 -10.408 -22.324 1.00 0.00 ATOM 494 O ILE 76 17.624 -7.649 -20.995 1.00 0.00 ATOM 495 C ILE 76 16.486 -7.152 -21.028 1.00 0.00 ATOM 496 N ILE 77 16.258 -5.845 -21.021 1.00 0.00 ATOM 497 CA ILE 77 17.318 -4.841 -21.078 1.00 0.00 ATOM 498 CB ILE 77 16.766 -3.422 -21.227 1.00 0.00 ATOM 499 CG1 ILE 77 16.150 -3.219 -22.626 1.00 0.00 ATOM 500 CG2 ILE 77 17.862 -2.391 -21.064 1.00 0.00 ATOM 501 CD1 ILE 77 14.771 -3.827 -22.831 1.00 0.00 ATOM 502 O ILE 77 19.381 -4.809 -19.858 1.00 0.00 ATOM 503 C ILE 77 18.150 -4.884 -19.811 1.00 0.00 ATOM 504 N SER 78 17.482 -4.985 -18.667 1.00 0.00 ATOM 505 CA SER 78 18.214 -5.142 -17.425 1.00 0.00 ATOM 506 CB SER 78 17.253 -5.285 -16.255 1.00 0.00 ATOM 507 OG SER 78 16.469 -4.131 -16.115 1.00 0.00 ATOM 508 O SER 78 20.359 -6.244 -17.061 1.00 0.00 ATOM 509 C SER 78 19.175 -6.337 -17.463 1.00 0.00 ATOM 510 N LEU 79 18.653 -7.472 -17.904 1.00 0.00 ATOM 511 CA LEU 79 19.436 -8.699 -17.903 1.00 0.00 ATOM 512 CB LEU 79 18.559 -9.920 -18.197 1.00 0.00 ATOM 513 CG LEU 79 17.546 -10.331 -17.118 1.00 0.00 ATOM 514 CD1 LEU 79 16.764 -11.564 -17.615 1.00 0.00 ATOM 515 CD2 LEU 79 18.166 -10.586 -15.783 1.00 0.00 ATOM 516 O LEU 79 21.715 -8.981 -18.546 1.00 0.00 ATOM 517 C LEU 79 20.596 -8.616 -18.892 1.00 0.00 ATOM 518 N GLN 80 20.305 -8.167 -20.098 1.00 0.00 ATOM 519 CA GLN 80 21.284 -8.113 -21.196 1.00 0.00 ATOM 520 CB GLN 80 20.623 -7.678 -22.501 1.00 0.00 ATOM 521 CG GLN 80 19.868 -8.793 -23.285 1.00 0.00 ATOM 522 CD GLN 80 20.701 -9.388 -24.397 1.00 0.00 ATOM 523 OE1 GLN 80 21.521 -8.703 -25.003 1.00 0.00 ATOM 524 NE2 GLN 80 20.510 -10.663 -24.653 1.00 0.00 ATOM 525 O GLN 80 23.574 -7.357 -21.230 1.00 0.00 ATOM 526 C GLN 80 22.417 -7.117 -20.888 1.00 0.00 ATOM 527 N LYS 81 22.057 -5.985 -20.290 1.00 0.00 ATOM 528 CA LYS 81 22.931 -4.804 -20.230 1.00 0.00 ATOM 529 CB LYS 81 22.288 -3.670 -21.006 1.00 0.00 ATOM 530 CG LYS 81 21.869 -4.017 -22.402 1.00 0.00 ATOM 531 CD LYS 81 22.969 -4.572 -23.217 1.00 0.00 ATOM 532 CE LYS 81 23.873 -3.517 -23.739 1.00 0.00 ATOM 533 NZ LYS 81 24.772 -4.104 -24.762 1.00 0.00 ATOM 534 O LYS 81 24.167 -3.450 -18.731 1.00 0.00 ATOM 535 C LYS 81 23.202 -4.204 -18.874 1.00 0.00 ATOM 536 N SER 82 22.325 -4.451 -17.913 1.00 0.00 ATOM 537 CA SER 82 22.378 -3.717 -16.640 1.00 0.00 ATOM 538 CB SER 82 23.550 -4.213 -15.792 1.00 0.00 ATOM 539 OG SER 82 23.551 -5.628 -15.718 1.00 0.00 ATOM 540 O SER 82 23.369 -1.523 -16.393 1.00 0.00 ATOM 541 C SER 82 22.497 -2.200 -16.928 1.00 0.00 ATOM 542 N TYR 83 21.653 -1.707 -17.835 1.00 0.00 ATOM 543 CA TYR 83 21.428 -0.289 -18.012 1.00 0.00 ATOM 544 CB TYR 83 21.357 0.105 -19.501 1.00 0.00 ATOM 545 CG TYR 83 22.586 -0.182 -20.324 1.00 0.00 ATOM 546 CD1 TYR 83 23.849 -0.307 -19.747 1.00 0.00 ATOM 547 CD2 TYR 83 22.487 -0.320 -21.719 1.00 0.00 ATOM 548 CE1 TYR 83 24.987 -0.560 -20.532 1.00 0.00 ATOM 549 CE2 TYR 83 23.629 -0.563 -22.514 1.00 0.00 ATOM 550 CZ TYR 83 24.866 -0.697 -21.906 1.00 0.00 ATOM 551 OH TYR 83 25.980 -0.954 -22.689 1.00 0.00 ATOM 552 O TYR 83 19.139 -0.707 -17.339 1.00 0.00 ATOM 553 C TYR 83 20.105 0.094 -17.376 1.00 0.00 ATOM 554 N SER 84 20.056 1.331 -16.893 1.00 0.00 ATOM 555 CA SER 84 18.791 1.980 -16.630 1.00 0.00 ATOM 556 CB SER 84 19.001 3.339 -15.986 1.00 0.00 ATOM 557 OG SER 84 19.811 4.148 -16.810 1.00 0.00 ATOM 558 O SER 84 18.751 2.285 -19.016 1.00 0.00 ATOM 559 C SER 84 18.093 2.133 -17.975 1.00 0.00 ATOM 560 N TRP 85 16.769 2.078 -17.955 1.00 0.00 ATOM 561 CA TRP 85 15.983 2.256 -19.178 1.00 0.00 ATOM 562 CB TRP 85 15.746 0.922 -19.898 1.00 0.00 ATOM 563 CG TRP 85 15.232 -0.176 -19.013 1.00 0.00 ATOM 564 CD1 TRP 85 15.978 -1.114 -18.387 1.00 0.00 ATOM 565 CD2 TRP 85 13.862 -0.451 -18.664 1.00 0.00 ATOM 566 CE2 TRP 85 13.871 -1.593 -17.840 1.00 0.00 ATOM 567 CE3 TRP 85 12.622 0.137 -18.996 1.00 0.00 ATOM 568 NE1 TRP 85 15.178 -1.968 -17.692 1.00 0.00 ATOM 569 CZ2 TRP 85 12.693 -2.151 -17.306 1.00 0.00 ATOM 570 CZ3 TRP 85 11.426 -0.433 -18.453 1.00 0.00 ATOM 571 CH2 TRP 85 11.491 -1.556 -17.628 1.00 0.00 ATOM 572 O TRP 85 14.162 2.870 -17.764 1.00 0.00 ATOM 573 C TRP 85 14.629 2.886 -18.896 1.00 0.00 ATOM 574 N VAL 86 13.996 3.344 -19.968 1.00 0.00 ATOM 575 CA VAL 86 12.739 4.047 -19.925 1.00 0.00 ATOM 576 CB VAL 86 12.962 5.583 -19.972 1.00 0.00 ATOM 577 CG1 VAL 86 13.407 6.062 -21.305 1.00 0.00 ATOM 578 CG2 VAL 86 11.723 6.371 -19.504 1.00 0.00 ATOM 579 O VAL 86 12.389 3.291 -22.178 1.00 0.00 ATOM 580 C VAL 86 11.888 3.513 -21.082 1.00 0.00 ATOM 581 N THR 87 10.623 3.230 -20.811 1.00 0.00 ATOM 582 CA THR 87 9.635 2.917 -21.863 1.00 0.00 ATOM 583 CB THR 87 8.287 2.457 -21.221 1.00 0.00 ATOM 584 CG2 THR 87 7.493 1.707 -22.183 1.00 0.00 ATOM 585 OG1 THR 87 8.581 1.606 -20.121 1.00 0.00 ATOM 586 O THR 87 9.070 5.197 -22.365 1.00 0.00 ATOM 587 C THR 87 9.366 4.086 -22.804 1.00 0.00 ATOM 588 N VAL 88 9.468 3.830 -24.097 1.00 0.00 ATOM 589 CA VAL 88 9.186 4.783 -25.170 1.00 0.00 ATOM 590 CB VAL 88 10.323 4.690 -26.219 1.00 0.00 ATOM 591 CG1 VAL 88 10.070 5.598 -27.408 1.00 0.00 ATOM 592 CG2 VAL 88 11.662 5.010 -25.551 1.00 0.00 ATOM 593 O VAL 88 7.078 5.388 -26.201 1.00 0.00 ATOM 594 C VAL 88 7.818 4.488 -25.825 1.00 0.00 ATOM 595 N ARG 89 7.510 3.203 -25.964 1.00 0.00 ATOM 596 CA ARG 89 6.236 2.755 -26.503 1.00 0.00 ATOM 597 CB ARG 89 6.323 2.608 -28.046 1.00 0.00 ATOM 598 CG ARG 89 5.201 1.845 -28.736 1.00 0.00 ATOM 599 CD ARG 89 5.354 1.827 -30.218 1.00 0.00 ATOM 600 NE ARG 89 4.927 3.089 -30.796 1.00 0.00 ATOM 601 CZ ARG 89 4.944 3.364 -32.101 1.00 0.00 ATOM 602 NH1 ARG 89 5.438 2.499 -32.975 1.00 0.00 ATOM 603 NH2 ARG 89 4.506 4.541 -32.524 1.00 0.00 ATOM 604 O ARG 89 6.672 0.580 -25.580 1.00 0.00 ATOM 605 C ARG 89 5.836 1.449 -25.840 1.00 0.00 ATOM 606 N LEU 90 4.547 1.301 -25.557 1.00 0.00 ATOM 607 CA LEU 90 4.034 0.044 -25.024 1.00 0.00 ATOM 608 CB LEU 90 3.985 0.039 -23.485 1.00 0.00 ATOM 609 CG LEU 90 3.714 -1.311 -22.814 1.00 0.00 ATOM 610 CD1 LEU 90 4.767 -2.344 -23.188 1.00 0.00 ATOM 611 CD2 LEU 90 3.599 -1.208 -21.291 1.00 0.00 ATOM 612 O LEU 90 1.795 0.697 -25.642 1.00 0.00 ATOM 613 C LEU 90 2.668 -0.186 -25.671 1.00 0.00 ATOM 614 N MET 91 2.521 -1.337 -26.332 1.00 0.00 ATOM 615 CA MET 91 1.247 -1.710 -26.958 1.00 0.00 ATOM 616 CB MET 91 1.379 -1.664 -28.476 1.00 0.00 ATOM 617 CG MET 91 2.027 -0.387 -29.009 1.00 0.00 ATOM 618 SD MET 91 2.145 -0.398 -30.947 1.00 0.00 ATOM 619 CE MET 91 3.265 -1.958 -31.097 1.00 0.00 ATOM 620 O MET 91 1.640 -4.029 -26.592 1.00 0.00 ATOM 621 C MET 91 0.838 -3.096 -26.492 1.00 0.00 ATOM 622 N CYS 92 -0.386 -3.209 -25.954 1.00 0.00 ATOM 623 CA CYS 92 -0.916 -4.444 -25.342 1.00 0.00 ATOM 624 CB CYS 92 -1.016 -4.279 -23.832 1.00 0.00 ATOM 625 SG CYS 92 0.589 -4.219 -22.979 1.00 0.00 ATOM 626 O CYS 92 -3.201 -3.851 -25.760 1.00 0.00 ATOM 627 C CYS 92 -2.331 -4.735 -25.835 1.00 0.00 ATOM 628 N ASP 93 -2.548 -5.956 -26.343 1.00 0.00 ATOM 629 CA ASP 93 -3.869 -6.430 -26.739 1.00 0.00 ATOM 630 CB ASP 93 -3.825 -7.108 -28.112 1.00 0.00 ATOM 631 CG ASP 93 -3.927 -6.116 -29.285 1.00 0.00 ATOM 632 OD1 ASP 93 -3.721 -4.896 -29.135 1.00 0.00 ATOM 633 OD2 ASP 93 -4.223 -6.571 -30.381 1.00 0.00 ATOM 634 O ASP 93 -3.433 -8.324 -25.372 1.00 0.00 ATOM 635 C ASP 93 -4.249 -7.438 -25.677 1.00 0.00 ATOM 636 N PHE 94 -5.428 -7.268 -25.075 1.00 0.00 ATOM 637 CA PHE 94 -5.891 -8.076 -23.938 1.00 0.00 ATOM 638 CB PHE 94 -6.629 -7.228 -22.886 1.00 0.00 ATOM 639 CG PHE 94 -5.812 -6.111 -22.280 1.00 0.00 ATOM 640 CD1 PHE 94 -5.378 -5.025 -23.068 1.00 0.00 ATOM 641 CD2 PHE 94 -5.520 -6.106 -20.918 1.00 0.00 ATOM 642 CE1 PHE 94 -4.642 -4.002 -22.526 1.00 0.00 ATOM 643 CE2 PHE 94 -4.793 -5.080 -20.356 1.00 0.00 ATOM 644 CZ PHE 94 -4.348 -4.028 -21.159 1.00 0.00 ATOM 645 O PHE 94 -7.944 -8.834 -24.944 1.00 0.00 ATOM 646 C PHE 94 -6.853 -9.155 -24.458 1.00 0.00 ATOM 647 N LEU 95 -6.452 -10.414 -24.326 1.00 0.00 ATOM 648 CA LEU 95 -7.149 -11.557 -24.877 1.00 0.00 ATOM 649 CB LEU 95 -6.109 -12.526 -25.424 1.00 0.00 ATOM 650 CG LEU 95 -5.105 -11.859 -26.349 1.00 0.00 ATOM 651 CD1 LEU 95 -4.177 -12.866 -26.930 1.00 0.00 ATOM 652 CD2 LEU 95 -5.847 -11.061 -27.409 1.00 0.00 ATOM 653 O LEU 95 -9.011 -12.953 -24.294 1.00 0.00 ATOM 654 C LEU 95 -8.029 -12.310 -23.896 1.00 0.00 ATOM 655 N SER 96 -7.635 -12.305 -22.632 1.00 0.00 ATOM 656 CA SER 96 -8.387 -12.922 -21.577 1.00 0.00 ATOM 657 CB SER 96 -8.257 -14.460 -21.574 1.00 0.00 ATOM 658 OG SER 96 -6.972 -14.890 -21.188 1.00 0.00 ATOM 659 O SER 96 -6.903 -11.684 -20.150 1.00 0.00 ATOM 660 C SER 96 -7.955 -12.343 -20.249 1.00 0.00 ATOM 661 N GLY 97 -8.752 -12.620 -19.232 1.00 0.00 ATOM 662 CA GLY 97 -8.598 -12.009 -17.917 1.00 0.00 ATOM 663 O GLY 97 -7.998 -14.146 -17.085 1.00 0.00 ATOM 664 C GLY 97 -8.002 -12.953 -16.890 1.00 0.00 ATOM 665 N ALA 98 -7.507 -12.409 -15.783 1.00 0.00 ATOM 666 CA ALA 98 -6.946 -13.220 -14.719 1.00 0.00 ATOM 667 CB ALA 98 -5.531 -12.830 -14.449 1.00 0.00 ATOM 668 O ALA 98 -8.455 -11.968 -13.357 1.00 0.00 ATOM 669 C ALA 98 -7.816 -13.001 -13.489 1.00 0.00 ATOM 670 N LYS 99 -7.880 -13.988 -12.613 1.00 0.00 ATOM 671 CA LYS 99 -8.734 -13.874 -11.459 1.00 0.00 ATOM 672 CB LYS 99 -9.854 -14.944 -11.462 1.00 0.00 ATOM 673 CG LYS 99 -9.396 -16.358 -11.711 1.00 0.00 ATOM 674 O LYS 99 -6.712 -14.268 -10.244 1.00 0.00 ATOM 675 C LYS 99 -7.897 -13.931 -10.215 1.00 0.00 ATOM 676 N LEU 100 -8.540 -13.579 -9.109 1.00 0.00 ATOM 677 CA LEU 100 -7.914 -13.622 -7.806 1.00 0.00 ATOM 678 CB LEU 100 -8.996 -13.354 -6.752 1.00 0.00 ATOM 679 CG LEU 100 -8.565 -13.225 -5.307 1.00 0.00 ATOM 680 CD1 LEU 100 -7.611 -12.023 -5.065 1.00 0.00 ATOM 681 CD2 LEU 100 -9.795 -13.123 -4.432 1.00 0.00 ATOM 682 O LEU 100 -7.896 -16.012 -7.793 1.00 0.00 ATOM 683 C LEU 100 -7.250 -14.993 -7.592 1.00 0.00 ATOM 684 N GLY 101 -5.974 -15.005 -7.204 1.00 0.00 ATOM 685 CA GLY 101 -5.201 -16.262 -6.973 1.00 0.00 ATOM 686 O GLY 101 -3.785 -17.871 -8.084 1.00 0.00 ATOM 687 C GLY 101 -4.553 -16.902 -8.204 1.00 0.00 ATOM 688 N ASP 102 -4.806 -16.378 -9.396 1.00 0.00 ATOM 689 CA ASP 102 -4.066 -16.873 -10.580 1.00 0.00 ATOM 690 CB ASP 102 -4.609 -16.295 -11.892 1.00 0.00 ATOM 691 CG ASP 102 -5.883 -16.980 -12.374 1.00 0.00 ATOM 692 OD1 ASP 102 -6.213 -18.105 -11.945 1.00 0.00 ATOM 693 OD2 ASP 102 -6.607 -16.356 -13.154 1.00 0.00 ATOM 694 O ASP 102 -2.231 -15.415 -10.036 1.00 0.00 ATOM 695 C ASP 102 -2.586 -16.511 -10.493 1.00 0.00 ATOM 696 N TRP 103 -1.742 -17.449 -10.922 1.00 0.00 ATOM 697 CA TRP 103 -0.310 -17.237 -11.123 1.00 0.00 ATOM 698 CB TRP 103 0.464 -18.543 -10.940 1.00 0.00 ATOM 699 CG TRP 103 1.942 -18.428 -10.986 1.00 0.00 ATOM 700 CD1 TRP 103 2.766 -19.008 -11.911 1.00 0.00 ATOM 701 CD2 TRP 103 2.810 -17.760 -10.051 1.00 0.00 ATOM 702 CE2 TRP 103 4.129 -17.943 -10.505 1.00 0.00 ATOM 703 CE3 TRP 103 2.604 -17.016 -8.893 1.00 0.00 ATOM 704 NE1 TRP 103 4.072 -18.711 -11.630 1.00 0.00 ATOM 705 CZ2 TRP 103 5.252 -17.432 -9.808 1.00 0.00 ATOM 706 CZ3 TRP 103 3.720 -16.486 -8.220 1.00 0.00 ATOM 707 CH2 TRP 103 5.021 -16.710 -8.689 1.00 0.00 ATOM 708 O TRP 103 -0.198 -17.497 -13.505 1.00 0.00 ATOM 709 C TRP 103 -0.060 -16.743 -12.525 1.00 0.00 ATOM 710 N VAL 104 0.348 -15.491 -12.612 1.00 0.00 ATOM 711 CA VAL 104 0.456 -14.825 -13.897 1.00 0.00 ATOM 712 CB VAL 104 -0.183 -13.420 -13.825 1.00 0.00 ATOM 713 CG1 VAL 104 0.030 -12.659 -15.148 1.00 0.00 ATOM 714 CG2 VAL 104 -1.713 -13.536 -13.478 1.00 0.00 ATOM 715 O VAL 104 2.707 -14.277 -13.351 1.00 0.00 ATOM 716 C VAL 104 1.947 -14.686 -14.209 1.00 0.00 ATOM 717 N GLU 105 2.344 -14.946 -15.453 1.00 0.00 ATOM 718 CA GLU 105 3.733 -14.865 -15.850 1.00 0.00 ATOM 719 CB GLU 105 4.319 -16.261 -16.151 1.00 0.00 ATOM 720 CG GLU 105 4.400 -17.157 -14.916 1.00 0.00 ATOM 721 CD GLU 105 5.112 -18.495 -15.153 1.00 0.00 ATOM 722 OE1 GLU 105 5.675 -18.721 -16.239 1.00 0.00 ATOM 723 OE2 GLU 105 5.132 -19.332 -14.225 1.00 0.00 ATOM 724 O GLU 105 2.851 -13.791 -17.798 1.00 0.00 ATOM 725 C GLU 105 3.833 -13.978 -17.074 1.00 0.00 ATOM 726 N GLY 106 5.015 -13.414 -17.256 1.00 0.00 ATOM 727 CA GLY 106 5.288 -12.449 -18.328 1.00 0.00 ATOM 728 O GLY 106 7.595 -12.802 -18.015 1.00 0.00 ATOM 729 C GLY 106 6.725 -12.574 -18.814 1.00 0.00 ATOM 730 N GLU 107 6.958 -12.486 -20.124 1.00 0.00 ATOM 731 CA GLU 107 8.301 -12.553 -20.657 1.00 0.00 ATOM 732 CB GLU 107 8.682 -14.017 -20.922 1.00 0.00 ATOM 733 CG GLU 107 10.145 -14.291 -21.079 1.00 0.00 ATOM 734 CD GLU 107 10.441 -15.728 -21.554 1.00 0.00 ATOM 735 OE1 GLU 107 9.480 -16.505 -21.738 1.00 0.00 ATOM 736 OE2 GLU 107 11.644 -16.061 -21.770 1.00 0.00 ATOM 737 O GLU 107 7.310 -11.883 -22.704 1.00 0.00 ATOM 738 C GLU 107 8.298 -11.820 -21.968 1.00 0.00 ATOM 739 N GLY 108 9.416 -11.187 -22.286 1.00 0.00 ATOM 740 CA GLY 108 9.606 -10.634 -23.628 1.00 0.00 ATOM 741 O GLY 108 11.554 -11.993 -23.780 1.00 0.00 ATOM 742 C GLY 108 10.698 -11.362 -24.388 1.00 0.00 ATOM 743 N GLU 109 10.659 -11.266 -25.711 1.00 0.00 ATOM 744 CA GLU 109 11.766 -11.667 -26.557 1.00 0.00 ATOM 745 CB GLU 109 11.321 -12.723 -27.557 1.00 0.00 ATOM 746 CG GLU 109 10.399 -12.250 -28.640 1.00 0.00 ATOM 747 O GLU 109 11.641 -9.634 -27.843 1.00 0.00 ATOM 748 C GLU 109 12.365 -10.440 -27.245 1.00 0.00 ATOM 749 N LEU 110 13.688 -10.289 -27.125 1.00 0.00 ATOM 750 CA LEU 110 14.375 -9.144 -27.725 1.00 0.00 ATOM 751 CB LEU 110 15.768 -8.896 -27.112 1.00 0.00 ATOM 752 CG LEU 110 16.536 -7.736 -27.780 1.00 0.00 ATOM 753 CD1 LEU 110 15.765 -6.438 -27.683 1.00 0.00 ATOM 754 CD2 LEU 110 17.936 -7.568 -27.179 1.00 0.00 ATOM 755 O LEU 110 15.163 -10.332 -29.636 1.00 0.00 ATOM 756 C LEU 110 14.485 -9.392 -29.207 1.00 0.00 ATOM 757 N ILE 111 13.808 -8.559 -29.988 1.00 0.00 ATOM 758 CA ILE 111 13.816 -8.685 -31.435 1.00 0.00 ATOM 759 CB ILE 111 12.486 -8.182 -32.055 1.00 0.00 ATOM 760 CG1 ILE 111 11.295 -8.917 -31.444 1.00 0.00 ATOM 761 CG2 ILE 111 12.489 -8.387 -33.556 1.00 0.00 ATOM 762 CD1 ILE 111 11.389 -10.432 -31.518 1.00 0.00 ATOM 763 O ILE 111 15.669 -8.419 -32.959 1.00 0.00 ATOM 764 C ILE 111 14.955 -7.899 -32.088 1.00 0.00 ATOM 765 N SER 112 15.098 -6.639 -31.697 1.00 0.00 ATOM 766 CA SER 112 16.005 -5.740 -32.387 1.00 0.00 ATOM 767 CB SER 112 15.313 -5.159 -33.622 1.00 0.00 ATOM 768 OG SER 112 14.127 -4.481 -33.255 1.00 0.00 ATOM 769 O SER 112 15.853 -4.400 -30.398 1.00 0.00 ATOM 770 C SER 112 16.452 -4.628 -31.467 1.00 0.00 ATOM 771 N GLU 113 17.535 -3.975 -31.860 1.00 0.00 ATOM 772 CA GLU 113 18.070 -2.798 -31.165 1.00 0.00 ATOM 773 CB GLU 113 19.227 -3.164 -30.214 1.00 0.00 ATOM 774 CG GLU 113 19.914 -1.976 -29.449 1.00 0.00 ATOM 775 CD GLU 113 20.994 -1.205 -30.253 1.00 0.00 ATOM 776 OE1 GLU 113 21.305 -1.571 -31.393 1.00 0.00 ATOM 777 OE2 GLU 113 21.557 -0.201 -29.733 1.00 0.00 ATOM 778 O GLU 113 19.269 -2.246 -33.144 1.00 0.00 ATOM 779 C GLU 113 18.551 -1.835 -32.237 1.00 0.00 ATOM 780 N GLU 114 18.158 -0.570 -32.139 1.00 0.00 ATOM 781 CA GLU 114 18.722 0.489 -32.978 1.00 0.00 ATOM 782 CB GLU 114 17.715 0.971 -34.065 1.00 0.00 ATOM 783 CG GLU 114 16.679 2.107 -33.684 1.00 0.00 ATOM 784 CD GLU 114 16.168 2.899 -34.911 1.00 0.00 ATOM 785 OE1 GLU 114 15.661 2.258 -35.856 1.00 0.00 ATOM 786 OE2 GLU 114 16.262 4.154 -34.939 1.00 0.00 ATOM 787 O GLU 114 18.215 2.198 -31.438 1.00 0.00 ATOM 788 C GLU 114 19.092 1.616 -32.053 1.00 0.00 ATOM 789 N ASP 115 20.380 1.928 -31.952 1.00 0.00 ATOM 790 CA ASP 115 20.822 3.134 -31.272 1.00 0.00 ATOM 791 CB ASP 115 20.482 4.415 -32.071 1.00 0.00 ATOM 792 CG ASP 115 21.240 4.508 -33.372 1.00 0.00 ATOM 793 OD1 ASP 115 22.418 4.071 -33.393 1.00 0.00 ATOM 794 OD2 ASP 115 20.661 5.002 -34.383 1.00 0.00 ATOM 795 O ASP 115 19.564 4.179 -29.555 1.00 0.00 ATOM 796 C ASP 115 20.135 3.177 -29.925 1.00 0.00 ATOM 797 N MET 116 20.173 2.051 -29.228 1.00 0.00 ATOM 798 CA MET 116 19.817 1.964 -27.836 1.00 0.00 ATOM 799 CB MET 116 20.606 3.003 -27.056 1.00 0.00 ATOM 800 CG MET 116 22.113 2.637 -27.129 1.00 0.00 ATOM 801 SD MET 116 22.456 0.994 -26.010 1.00 0.00 ATOM 802 CE MET 116 22.623 1.982 -24.594 1.00 0.00 ATOM 803 O MET 116 17.861 2.011 -26.394 1.00 0.00 ATOM 804 C MET 116 18.286 1.954 -27.548 1.00 0.00 ATOM 805 N LEU 117 17.510 1.796 -28.615 1.00 0.00 ATOM 806 CA LEU 117 16.095 1.472 -28.542 1.00 0.00 ATOM 807 CB LEU 117 15.283 2.282 -29.562 1.00 0.00 ATOM 808 CG LEU 117 15.521 3.789 -29.569 1.00 0.00 ATOM 809 CD1 LEU 117 15.051 4.411 -30.918 1.00 0.00 ATOM 810 CD2 LEU 117 14.880 4.435 -28.379 1.00 0.00 ATOM 811 O LEU 117 16.269 -0.493 -29.961 1.00 0.00 ATOM 812 C LEU 117 15.958 -0.004 -28.833 1.00 0.00 ATOM 813 N PHE 118 15.448 -0.707 -27.830 1.00 0.00 ATOM 814 CA PHE 118 15.324 -2.155 -27.816 1.00 0.00 ATOM 815 CB PHE 118 15.798 -2.721 -26.472 1.00 0.00 ATOM 816 CG PHE 118 17.280 -2.664 -26.265 1.00 0.00 ATOM 817 CD1 PHE 118 17.891 -1.509 -25.789 1.00 0.00 ATOM 818 CD2 PHE 118 18.064 -3.785 -26.507 1.00 0.00 ATOM 819 CE1 PHE 118 19.265 -1.455 -25.609 1.00 0.00 ATOM 820 CE2 PHE 118 19.440 -3.741 -26.349 1.00 0.00 ATOM 821 CZ PHE 118 20.043 -2.575 -25.879 1.00 0.00 ATOM 822 O PHE 118 13.023 -1.994 -27.278 1.00 0.00 ATOM 823 C PHE 118 13.870 -2.482 -28.014 1.00 0.00 ATOM 824 N THR 119 13.571 -3.281 -29.027 1.00 0.00 ATOM 825 CA THR 119 12.192 -3.663 -29.325 1.00 0.00 ATOM 826 CB THR 119 11.924 -3.578 -30.811 1.00 0.00 ATOM 827 CG2 THR 119 10.518 -4.074 -31.170 1.00 0.00 ATOM 828 OG1 THR 119 12.048 -2.226 -31.249 1.00 0.00 ATOM 829 O THR 119 12.658 -6.002 -29.287 1.00 0.00 ATOM 830 C THR 119 11.959 -5.086 -28.853 1.00 0.00 ATOM 831 N VAL 120 10.967 -5.252 -27.975 1.00 0.00 ATOM 832 CA VAL 120 10.690 -6.495 -27.272 1.00 0.00 ATOM 833 CB VAL 120 10.890 -6.311 -25.762 1.00 0.00 ATOM 834 CG1 VAL 120 10.476 -7.560 -25.012 1.00 0.00 ATOM 835 CG2 VAL 120 12.318 -5.940 -25.493 1.00 0.00 ATOM 836 O VAL 120 8.344 -6.105 -27.353 1.00 0.00 ATOM 837 C VAL 120 9.255 -6.900 -27.571 1.00 0.00 ATOM 838 N ARG 121 9.085 -8.093 -28.148 1.00 0.00 ATOM 839 CA ARG 121 7.792 -8.717 -28.376 1.00 0.00 ATOM 840 CB ARG 121 7.804 -9.590 -29.622 1.00 0.00 ATOM 841 CG ARG 121 6.639 -10.532 -29.717 1.00 0.00 ATOM 842 CD ARG 121 6.358 -10.999 -31.187 1.00 0.00 ATOM 843 O ARG 121 8.374 -10.251 -26.596 1.00 0.00 ATOM 844 C ARG 121 7.489 -9.558 -27.148 1.00 0.00 ATOM 845 N GLY 122 6.242 -9.483 -26.701 1.00 0.00 ATOM 846 CA GLY 122 5.926 -9.936 -25.373 1.00 0.00 ATOM 847 O GLY 122 3.719 -10.532 -26.079 1.00 0.00 ATOM 848 C GLY 122 4.610 -10.682 -25.242 1.00 0.00 ATOM 849 N ARG 123 4.522 -11.471 -24.170 1.00 0.00 ATOM 850 CA ARG 123 3.314 -12.196 -23.758 1.00 0.00 ATOM 851 CB ARG 123 3.408 -13.666 -24.166 1.00 0.00 ATOM 852 CG ARG 123 3.538 -13.902 -25.621 1.00 0.00 ATOM 853 CD ARG 123 2.209 -13.757 -26.322 1.00 0.00 ATOM 854 NE ARG 123 2.266 -14.073 -27.756 1.00 0.00 ATOM 855 CZ ARG 123 2.040 -15.282 -28.292 1.00 0.00 ATOM 856 NH1 ARG 123 1.764 -16.346 -27.544 1.00 0.00 ATOM 857 NH2 ARG 123 2.101 -15.427 -29.597 1.00 0.00 ATOM 858 O ARG 123 4.191 -12.063 -21.547 1.00 0.00 ATOM 859 C ARG 123 3.183 -12.152 -22.240 1.00 0.00 ATOM 860 N ILE 124 1.944 -12.224 -21.748 1.00 0.00 ATOM 861 CA ILE 124 1.617 -12.427 -20.350 1.00 0.00 ATOM 862 CB ILE 124 0.919 -11.199 -19.746 1.00 0.00 ATOM 863 CG1 ILE 124 1.774 -9.953 -19.993 1.00 0.00 ATOM 864 CG2 ILE 124 0.568 -11.425 -18.247 1.00 0.00 ATOM 865 CD1 ILE 124 3.155 -10.036 -19.451 1.00 0.00 ATOM 866 O ILE 124 -0.362 -13.537 -21.199 1.00 0.00 ATOM 867 C ILE 124 0.599 -13.563 -20.376 1.00 0.00 ATOM 868 N TRP 125 0.789 -14.532 -19.507 1.00 0.00 ATOM 869 CA TRP 125 -0.086 -15.708 -19.470 1.00 0.00 ATOM 870 CB TRP 125 0.527 -16.810 -20.323 1.00 0.00 ATOM 871 CG TRP 125 1.841 -17.357 -19.794 1.00 0.00 ATOM 872 CD1 TRP 125 1.985 -18.460 -19.016 1.00 0.00 ATOM 873 CD2 TRP 125 3.185 -16.875 -20.044 1.00 0.00 ATOM 874 CE2 TRP 125 4.071 -17.734 -19.337 1.00 0.00 ATOM 875 CE3 TRP 125 3.728 -15.806 -20.773 1.00 0.00 ATOM 876 NE1 TRP 125 3.305 -18.680 -18.717 1.00 0.00 ATOM 877 CZ2 TRP 125 5.463 -17.564 -19.340 1.00 0.00 ATOM 878 CZ3 TRP 125 5.146 -15.650 -20.794 1.00 0.00 ATOM 879 CH2 TRP 125 5.982 -16.522 -20.079 1.00 0.00 ATOM 880 O TRP 125 0.393 -15.875 -17.121 1.00 0.00 ATOM 881 C TRP 125 -0.336 -16.204 -18.046 1.00 0.00 ATOM 882 N ALA 126 -1.424 -16.950 -17.895 1.00 0.00 ATOM 883 CA ALA 126 -1.799 -17.621 -16.671 1.00 0.00 ATOM 884 CB ALA 126 -2.999 -16.966 -16.051 1.00 0.00 ATOM 885 O ALA 126 -3.140 -19.334 -17.714 1.00 0.00 ATOM 886 C ALA 126 -2.109 -19.054 -17.089 1.00 0.00 ATOM 887 N GLY 127 -1.185 -19.951 -16.782 1.00 0.00 ATOM 888 CA GLY 127 -1.199 -21.307 -17.343 1.00 0.00 ATOM 889 O GLY 127 -0.499 -20.750 -19.570 1.00 0.00 ATOM 890 C GLY 127 -1.319 -21.347 -18.845 1.00 0.00 ATOM 891 N GLU 128 -2.360 -22.026 -19.326 1.00 0.00 ATOM 892 CA GLU 128 -2.542 -22.232 -20.756 1.00 0.00 ATOM 893 CB GLU 128 -3.329 -23.539 -20.988 1.00 0.00 ATOM 894 CG GLU 128 -2.466 -24.776 -20.926 1.00 0.00 ATOM 895 CD GLU 128 -1.517 -24.844 -22.107 1.00 0.00 ATOM 896 OE1 GLU 128 -1.999 -24.804 -23.258 1.00 0.00 ATOM 897 OE2 GLU 128 -0.291 -24.913 -21.884 1.00 0.00 ATOM 898 O GLU 128 -3.534 -21.094 -22.587 1.00 0.00 ATOM 899 C GLU 128 -3.277 -21.069 -21.399 1.00 0.00 ATOM 900 N ARG 129 -3.665 -20.075 -20.604 1.00 0.00 ATOM 901 CA ARG 129 -4.380 -18.901 -21.100 1.00 0.00 ATOM 902 CB ARG 129 -5.380 -18.374 -20.057 1.00 0.00 ATOM 903 CG ARG 129 -6.207 -19.431 -19.309 1.00 0.00 ATOM 904 CD ARG 129 -7.363 -18.814 -18.535 1.00 0.00 ATOM 905 NE ARG 129 -6.987 -17.637 -17.748 1.00 0.00 ATOM 906 CZ ARG 129 -6.575 -17.647 -16.478 1.00 0.00 ATOM 907 NH1 ARG 129 -6.448 -18.777 -15.792 1.00 0.00 ATOM 908 NH2 ARG 129 -6.275 -16.499 -15.885 1.00 0.00 ATOM 909 O ARG 129 -2.657 -17.358 -20.456 1.00 0.00 ATOM 910 C ARG 129 -3.379 -17.780 -21.388 1.00 0.00 ATOM 911 N THR 130 -3.353 -17.282 -22.632 1.00 0.00 ATOM 912 CA THR 130 -2.632 -16.025 -22.930 1.00 0.00 ATOM 913 CB THR 130 -2.127 -15.965 -24.362 1.00 0.00 ATOM 914 CG2 THR 130 -1.375 -14.657 -24.645 1.00 0.00 ATOM 915 OG1 THR 130 -1.235 -17.059 -24.585 1.00 0.00 ATOM 916 O THR 130 -4.636 -14.668 -23.127 1.00 0.00 ATOM 917 C THR 130 -3.522 -14.808 -22.591 1.00 0.00 ATOM 918 N LEU 131 -3.022 -13.942 -21.698 1.00 0.00 ATOM 919 CA LEU 131 -3.792 -12.795 -21.215 1.00 0.00 ATOM 920 CB LEU 131 -3.468 -12.486 -19.776 1.00 0.00 ATOM 921 CG LEU 131 -3.477 -13.653 -18.792 1.00 0.00 ATOM 922 CD1 LEU 131 -3.063 -13.148 -17.453 1.00 0.00 ATOM 923 CD2 LEU 131 -4.802 -14.315 -18.696 1.00 0.00 ATOM 924 O LEU 131 -4.479 -10.834 -22.365 1.00 0.00 ATOM 925 C LEU 131 -3.544 -11.581 -22.074 1.00 0.00 ATOM 926 N ILE 132 -2.288 -11.397 -22.478 1.00 0.00 ATOM 927 CA ILE 132 -1.856 -10.230 -23.238 1.00 0.00 ATOM 928 CB ILE 132 -1.264 -9.131 -22.309 1.00 0.00 ATOM 929 CG1 ILE 132 -2.370 -8.430 -21.509 1.00 0.00 ATOM 930 CG2 ILE 132 -0.492 -8.092 -23.141 1.00 0.00 ATOM 931 CD1 ILE 132 -1.911 -7.103 -20.888 1.00 0.00 ATOM 932 O ILE 132 0.168 -11.328 -23.900 1.00 0.00 ATOM 933 C ILE 132 -0.776 -10.610 -24.238 1.00 0.00 ATOM 934 N THR 133 -0.890 -10.095 -25.455 1.00 0.00 ATOM 935 CA THR 133 0.188 -10.156 -26.414 1.00 0.00 ATOM 936 CB THR 133 -0.209 -10.985 -27.693 1.00 0.00 ATOM 937 CG2 THR 133 -1.397 -10.387 -28.382 1.00 0.00 ATOM 938 OG1 THR 133 0.873 -11.021 -28.620 1.00 0.00 ATOM 939 O THR 133 -0.412 -7.862 -26.800 1.00 0.00 ATOM 940 C THR 133 0.484 -8.708 -26.736 1.00 0.00 ATOM 941 N GLY 134 1.743 -8.385 -26.911 1.00 0.00 ATOM 942 CA GLY 134 2.071 -7.059 -27.342 1.00 0.00 ATOM 943 O GLY 134 4.339 -7.737 -27.586 1.00 0.00 ATOM 944 C GLY 134 3.522 -6.810 -27.604 1.00 0.00 ATOM 945 N THR 135 3.823 -5.523 -27.782 1.00 0.00 ATOM 946 CA THR 135 5.175 -5.026 -28.064 1.00 0.00 ATOM 947 CB THR 135 5.321 -4.627 -29.549 1.00 0.00 ATOM 948 CG2 THR 135 6.720 -4.091 -29.844 1.00 0.00 ATOM 949 OG1 THR 135 5.122 -5.771 -30.368 1.00 0.00 ATOM 950 O THR 135 4.678 -2.921 -26.987 1.00 0.00 ATOM 951 C THR 135 5.518 -3.814 -27.198 1.00 0.00 ATOM 952 N GLY 136 6.759 -3.813 -26.707 1.00 0.00 ATOM 953 CA GLY 136 7.368 -2.723 -25.954 1.00 0.00 ATOM 954 O GLY 136 9.382 -3.013 -27.242 1.00 0.00 ATOM 955 C GLY 136 8.613 -2.217 -26.656 1.00 0.00 ATOM 956 N VAL 137 8.820 -0.895 -26.615 1.00 0.00 ATOM 957 CA VAL 137 10.089 -0.328 -27.055 1.00 0.00 ATOM 958 CB VAL 137 9.971 0.551 -28.318 1.00 0.00 ATOM 959 CG1 VAL 137 11.339 1.045 -28.737 1.00 0.00 ATOM 960 CG2 VAL 137 9.281 -0.190 -29.451 1.00 0.00 ATOM 961 O VAL 137 9.968 1.329 -25.321 1.00 0.00 ATOM 962 C VAL 137 10.643 0.454 -25.884 1.00 0.00 ATOM 963 N PHE 138 11.861 0.086 -25.500 1.00 0.00 ATOM 964 CA PHE 138 12.534 0.615 -24.356 1.00 0.00 ATOM 965 CB PHE 138 12.792 -0.542 -23.431 1.00 0.00 ATOM 966 CG PHE 138 11.522 -1.302 -23.056 1.00 0.00 ATOM 967 CD1 PHE 138 10.712 -0.855 -22.060 1.00 0.00 ATOM 968 CD2 PHE 138 11.165 -2.447 -23.725 1.00 0.00 ATOM 969 CE1 PHE 138 9.543 -1.541 -21.731 1.00 0.00 ATOM 970 CE2 PHE 138 10.012 -3.158 -23.374 1.00 0.00 ATOM 971 CZ PHE 138 9.214 -2.700 -22.380 1.00 0.00 ATOM 972 O PHE 138 14.563 0.816 -25.647 1.00 0.00 ATOM 973 C PHE 138 13.842 1.304 -24.752 1.00 0.00 ATOM 974 N LYS 139 14.105 2.450 -24.150 1.00 0.00 ATOM 975 CA LYS 139 15.332 3.182 -24.415 1.00 0.00 ATOM 976 CB LYS 139 15.091 4.678 -24.647 1.00 0.00 ATOM 977 CG LYS 139 16.385 5.492 -24.656 1.00 0.00 ATOM 978 CD LYS 139 16.282 6.795 -25.430 1.00 0.00 ATOM 979 CE LYS 139 15.333 7.772 -24.783 1.00 0.00 ATOM 980 NZ LYS 139 15.268 9.075 -25.565 1.00 0.00 ATOM 981 O LYS 139 15.982 3.280 -22.088 1.00 0.00 ATOM 982 C LYS 139 16.276 2.951 -23.251 1.00 0.00 ATOM 983 N ALA 140 17.415 2.354 -23.565 1.00 0.00 ATOM 984 CA ALA 140 18.482 2.204 -22.594 1.00 0.00 ATOM 985 CB ALA 140 19.436 1.158 -23.055 1.00 0.00 ATOM 986 O ALA 140 19.505 4.231 -23.387 1.00 0.00 ATOM 987 C ALA 140 19.183 3.553 -22.411 1.00 0.00 ATOM 988 N LEU 141 19.408 3.927 -21.160 1.00 0.00 ATOM 989 CA LEU 141 19.900 5.239 -20.818 1.00 0.00 ATOM 990 CB LEU 141 19.106 5.828 -19.660 1.00 0.00 ATOM 991 CG LEU 141 17.623 6.097 -19.936 1.00 0.00 ATOM 992 CD1 LEU 141 16.876 6.330 -18.632 1.00 0.00 ATOM 993 CD2 LEU 141 17.476 7.283 -20.818 1.00 0.00 ATOM 994 O LEU 141 22.198 5.554 -21.207 1.00 0.00 ATOM 995 C LEU 141 21.379 5.120 -20.458 1.00 0.00 ATOM 996 N SER 142 21.731 4.526 -19.335 1.00 0.00 ATOM 997 CA SER 142 23.165 4.439 -19.022 1.00 0.00 ATOM 998 CB SER 142 23.639 5.782 -18.466 1.00 0.00 ATOM 999 OG SER 142 22.962 6.037 -17.250 1.00 0.00 ATOM 1000 O SER 142 22.561 2.702 -17.473 1.00 0.00 ATOM 1001 C SER 142 23.466 3.278 -18.077 1.00 0.00 ATOM 1002 N ALA 143 24.745 2.911 -17.970 1.00 0.00 ATOM 1003 CA ALA 143 25.158 1.861 -17.069 1.00 0.00 ATOM 1004 CB ALA 143 26.684 1.686 -17.097 1.00 0.00 ATOM 1005 O ALA 143 24.709 3.299 -15.184 1.00 0.00 ATOM 1006 C ALA 143 24.695 2.149 -15.640 1.00 0.00 ATOM 1007 N ARG 144 24.284 1.103 -14.949 1.00 0.00 ATOM 1008 CA ARG 144 24.039 1.186 -13.507 1.00 0.00 ATOM 1009 CB ARG 144 22.550 1.290 -13.217 1.00 0.00 ATOM 1010 CG ARG 144 21.741 0.153 -13.846 1.00 0.00 ATOM 1011 CD ARG 144 20.723 -0.403 -12.907 1.00 0.00 ATOM 1012 NE ARG 144 19.883 -1.391 -13.556 1.00 0.00 ATOM 1013 CZ ARG 144 20.115 -2.702 -13.571 1.00 0.00 ATOM 1014 NH1 ARG 144 21.156 -3.222 -12.961 1.00 0.00 ATOM 1015 NH2 ARG 144 19.284 -3.506 -14.226 1.00 0.00 ATOM 1016 O ARG 144 25.180 -0.929 -13.501 1.00 0.00 ATOM 1017 C ARG 144 24.657 -0.038 -12.829 1.00 0.00 ATOM 1018 N LYS 145 24.616 -0.057 -11.498 1.00 0.00 ATOM 1019 CA LYS 145 25.154 -1.174 -10.727 1.00 0.00 ATOM 1020 CB LYS 145 25.024 -0.906 -9.217 1.00 0.00 ATOM 1021 CG LYS 145 25.559 -2.025 -8.308 1.00 0.00 ATOM 1022 CD LYS 145 25.248 -1.708 -6.829 1.00 0.00 ATOM 1023 CE LYS 145 26.084 -2.541 -5.844 1.00 0.00 ATOM 1024 NZ LYS 145 26.471 -1.756 -4.591 1.00 0.00 ATOM 1025 O LYS 145 23.159 -2.481 -11.121 1.00 0.00 ATOM 1026 C LYS 145 24.404 -2.452 -11.129 1.00 0.00 ATOM 1027 N PRO 146 25.142 -3.472 -11.585 1.00 0.00 ATOM 1028 CA PRO 146 24.530 -4.769 -11.895 1.00 0.00 ATOM 1029 CB PRO 146 25.703 -5.591 -12.427 1.00 0.00 ATOM 1030 CG PRO 146 26.645 -4.504 -13.013 1.00 0.00 ATOM 1031 CD PRO 146 26.549 -3.423 -12.003 1.00 0.00 ATOM 1032 O PRO 146 24.320 -5.251 -9.551 1.00 0.00 ATOM 1033 C PRO 146 23.878 -5.437 -10.698 1.00 0.00 ATOM 1034 N ARG 147 22.822 -6.188 -10.989 1.00 0.00 ATOM 1035 CA ARG 147 22.088 -6.933 -9.985 1.00 0.00 ATOM 1036 CB ARG 147 20.587 -6.576 -10.048 1.00 0.00 ATOM 1037 CG ARG 147 20.312 -5.069 -9.989 1.00 0.00 ATOM 1038 CD ARG 147 18.876 -4.716 -9.598 1.00 0.00 ATOM 1039 NE ARG 147 17.986 -4.445 -10.745 1.00 0.00 ATOM 1040 CZ ARG 147 17.657 -3.234 -11.213 1.00 0.00 ATOM 1041 NH1 ARG 147 18.144 -2.107 -10.684 1.00 0.00 ATOM 1042 NH2 ARG 147 16.827 -3.150 -12.245 1.00 0.00 ATOM 1043 O ARG 147 22.560 -8.858 -11.361 1.00 0.00 ATOM 1044 C ARG 147 22.320 -8.428 -10.222 1.00 0.00 ATOM 1045 N PRO 148 22.264 -9.234 -9.152 1.00 0.00 ATOM 1046 CA PRO 148 22.468 -10.671 -9.335 1.00 0.00 ATOM 1047 CB PRO 148 22.081 -11.257 -7.968 1.00 0.00 ATOM 1048 CG PRO 148 22.424 -10.146 -6.992 1.00 0.00 ATOM 1049 CD PRO 148 22.005 -8.884 -7.746 1.00 0.00 ATOM 1050 O PRO 148 20.456 -10.853 -10.626 1.00 0.00 ATOM 1051 C PRO 148 21.609 -11.254 -10.466 1.00 0.00 ATOM 1052 N GLY 149 22.206 -12.137 -11.273 1.00 0.00 ATOM 1053 CA GLY 149 21.540 -12.787 -12.384 1.00 0.00 ATOM 1054 O GLY 149 21.331 -12.608 -14.761 1.00 0.00 ATOM 1055 C GLY 149 21.657 -12.050 -13.704 1.00 0.00 ATOM 1056 N GLU 150 22.114 -10.798 -13.666 1.00 0.00 ATOM 1057 CA GLU 150 22.296 -10.013 -14.890 1.00 0.00 ATOM 1058 CB GLU 150 22.239 -8.529 -14.560 1.00 0.00 ATOM 1059 CG GLU 150 20.916 -8.119 -14.004 1.00 0.00 ATOM 1060 CD GLU 150 20.784 -6.639 -13.831 1.00 0.00 ATOM 1061 OE1 GLU 150 21.826 -5.955 -13.708 1.00 0.00 ATOM 1062 OE2 GLU 150 19.625 -6.168 -13.795 1.00 0.00 ATOM 1063 O GLU 150 24.556 -10.747 -14.811 1.00 0.00 ATOM 1064 C GLU 150 23.627 -10.365 -15.519 1.00 0.00 ATOM 1065 N LEU 151 23.728 -10.229 -16.842 1.00 0.00 ATOM 1066 CA LEU 151 24.946 -10.585 -17.562 1.00 0.00 ATOM 1067 CB LEU 151 24.762 -10.255 -19.053 1.00 0.00 ATOM 1068 CG LEU 151 25.467 -10.998 -20.174 1.00 0.00 ATOM 1069 CD1 LEU 151 25.726 -12.447 -19.802 1.00 0.00 ATOM 1070 CD2 LEU 151 24.609 -10.914 -21.444 1.00 0.00 ATOM 1071 O LEU 151 27.268 -10.528 -16.902 1.00 0.00 ATOM 1072 C LEU 151 26.221 -9.895 -17.004 1.00 0.00 ATOM 1073 N ALA 152 26.097 -8.627 -16.607 1.00 0.00 ATOM 1074 CA ALA 152 27.227 -7.786 -16.157 1.00 0.00 ATOM 1075 CB ALA 152 26.861 -6.294 -16.303 1.00 0.00 ATOM 1076 O ALA 152 28.606 -7.514 -14.222 1.00 0.00 ATOM 1077 C ALA 152 27.637 -8.063 -14.708 1.00 0.00 ATOM 1078 N TYR 153 26.874 -8.891 -14.012 1.00 0.00 ATOM 1079 CA TYR 153 27.083 -9.104 -12.584 1.00 0.00 ATOM 1080 CB TYR 153 25.790 -9.613 -11.960 1.00 0.00 ATOM 1081 CG TYR 153 25.899 -9.857 -10.485 1.00 0.00 ATOM 1082 CD1 TYR 153 25.888 -8.801 -9.582 1.00 0.00 ATOM 1083 CD2 TYR 153 26.034 -11.147 -9.994 1.00 0.00 ATOM 1084 CE1 TYR 153 25.990 -9.032 -8.212 1.00 0.00 ATOM 1085 CE2 TYR 153 26.135 -11.391 -8.643 1.00 0.00 ATOM 1086 CZ TYR 153 26.123 -10.337 -7.757 1.00 0.00 ATOM 1087 OH TYR 153 26.230 -10.603 -6.411 1.00 0.00 ATOM 1088 O TYR 153 28.528 -10.916 -13.205 1.00 0.00 ATOM 1089 C TYR 153 28.237 -10.077 -12.348 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1237903578.pdb -s /var/tmp/to_scwrl_1237903578.seq -o /var/tmp/from_scwrl_1237903578.pdb > /var/tmp/scwrl_1237903578.log sh: /var/tmp/scwrl_1237903578.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1237903578.pdb or /var/tmp/from_scwrl_1237903578.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1237903578_b.pdb or /var/tmp/from_scwrl_1237903578_b.pdb.gz for input Trying /var/tmp/from_scwrl_1237903578_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1237903578_b.pdb or /var/tmp/from_scwrl_1237903578_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1237903578_a.pdb or /var/tmp/from_scwrl_1237903578_a.pdb.gz for input Trying /var/tmp/from_scwrl_1237903578_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1237903578_a.pdb or /var/tmp/from_scwrl_1237903578_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1237903578.pdb or /var/tmp/from_scwrl_1237903578_b.pdb or /var/tmp/from_scwrl_1237903578_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 139 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -63.908 # GDT_score(maxd=8.000,maxw=2.900)= -67.206 # GDT_score(maxd=8.000,maxw=3.200)= -63.773 # GDT_score(maxd=8.000,maxw=3.500)= -60.454 # GDT_score(maxd=10.000,maxw=3.800)= -63.010 # GDT_score(maxd=10.000,maxw=4.000)= -60.944 # GDT_score(maxd=10.000,maxw=4.200)= -58.943 # GDT_score(maxd=12.000,maxw=4.300)= -62.391 # GDT_score(maxd=12.000,maxw=4.500)= -60.439 # GDT_score(maxd=12.000,maxw=4.700)= -58.539 # GDT_score(maxd=14.000,maxw=5.200)= -57.596 # GDT_score(maxd=14.000,maxw=5.500)= -54.888 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_496999682.pdb -s /var/tmp/to_scwrl_496999682.seq -o /var/tmp/from_scwrl_496999682.pdb > /var/tmp/scwrl_496999682.log sh: /var/tmp/scwrl_496999682.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_496999682.pdb or /var/tmp/from_scwrl_496999682.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_496999682_b.pdb or /var/tmp/from_scwrl_496999682_b.pdb.gz for input Trying /var/tmp/from_scwrl_496999682_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_496999682_b.pdb or /var/tmp/from_scwrl_496999682_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_496999682_a.pdb or /var/tmp/from_scwrl_496999682_a.pdb.gz for input Trying /var/tmp/from_scwrl_496999682_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_496999682_a.pdb or /var/tmp/from_scwrl_496999682_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_496999682.pdb or /var/tmp/from_scwrl_496999682_b.pdb or /var/tmp/from_scwrl_496999682_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 146 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -62.852 # GDT_score(maxd=8.000,maxw=2.900)= -65.902 # GDT_score(maxd=8.000,maxw=3.200)= -62.624 # GDT_score(maxd=8.000,maxw=3.500)= -59.474 # GDT_score(maxd=10.000,maxw=3.800)= -62.035 # GDT_score(maxd=10.000,maxw=4.000)= -60.031 # GDT_score(maxd=10.000,maxw=4.200)= -58.061 # GDT_score(maxd=12.000,maxw=4.300)= -61.497 # GDT_score(maxd=12.000,maxw=4.500)= -59.570 # GDT_score(maxd=12.000,maxw=4.700)= -57.712 # GDT_score(maxd=14.000,maxw=5.200)= -56.803 # GDT_score(maxd=14.000,maxw=5.500)= -54.171 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1256571441.pdb -s /var/tmp/to_scwrl_1256571441.seq -o /var/tmp/from_scwrl_1256571441.pdb > /var/tmp/scwrl_1256571441.log sh: /var/tmp/scwrl_1256571441.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1256571441.pdb or /var/tmp/from_scwrl_1256571441.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1256571441_b.pdb or /var/tmp/from_scwrl_1256571441_b.pdb.gz for input Trying /var/tmp/from_scwrl_1256571441_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1256571441_b.pdb or /var/tmp/from_scwrl_1256571441_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1256571441_a.pdb or /var/tmp/from_scwrl_1256571441_a.pdb.gz for input Trying /var/tmp/from_scwrl_1256571441_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1256571441_a.pdb or /var/tmp/from_scwrl_1256571441_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1256571441.pdb or /var/tmp/from_scwrl_1256571441_b.pdb or /var/tmp/from_scwrl_1256571441_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -64.085 # GDT_score(maxd=8.000,maxw=2.900)= -67.216 # GDT_score(maxd=8.000,maxw=3.200)= -63.800 # GDT_score(maxd=8.000,maxw=3.500)= -60.495 # GDT_score(maxd=10.000,maxw=3.800)= -63.095 # GDT_score(maxd=10.000,maxw=4.000)= -61.033 # GDT_score(maxd=10.000,maxw=4.200)= -59.040 # GDT_score(maxd=12.000,maxw=4.300)= -62.485 # GDT_score(maxd=12.000,maxw=4.500)= -60.537 # GDT_score(maxd=12.000,maxw=4.700)= -58.646 # GDT_score(maxd=14.000,maxw=5.200)= -57.631 # GDT_score(maxd=14.000,maxw=5.500)= -54.977 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_427931710.pdb -s /var/tmp/to_scwrl_427931710.seq -o /var/tmp/from_scwrl_427931710.pdb > /var/tmp/scwrl_427931710.log sh: /var/tmp/scwrl_427931710.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_427931710.pdb or /var/tmp/from_scwrl_427931710.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_427931710_b.pdb or /var/tmp/from_scwrl_427931710_b.pdb.gz for input Trying /var/tmp/from_scwrl_427931710_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_427931710_b.pdb or /var/tmp/from_scwrl_427931710_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_427931710_a.pdb or /var/tmp/from_scwrl_427931710_a.pdb.gz for input Trying /var/tmp/from_scwrl_427931710_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_427931710_a.pdb or /var/tmp/from_scwrl_427931710_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_427931710.pdb or /var/tmp/from_scwrl_427931710_b.pdb or /var/tmp/from_scwrl_427931710_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 T0322 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.796 # GDT_score = -62.148 # GDT_score(maxd=8.000,maxw=2.900)= -64.898 # GDT_score(maxd=8.000,maxw=3.200)= -62.530 # GDT_score(maxd=8.000,maxw=3.500)= -59.904 # GDT_score(maxd=10.000,maxw=3.800)= -61.500 # GDT_score(maxd=10.000,maxw=4.000)= -59.742 # GDT_score(maxd=10.000,maxw=4.200)= -57.891 # GDT_score(maxd=12.000,maxw=4.300)= -60.513 # GDT_score(maxd=12.000,maxw=4.500)= -58.700 # GDT_score(maxd=12.000,maxw=4.700)= -56.859 # GDT_score(maxd=14.000,maxw=5.200)= -55.329 # GDT_score(maxd=14.000,maxw=5.500)= -52.774 # command:# request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1589625149.pdb -s /var/tmp/to_scwrl_1589625149.seq -o /var/tmp/from_scwrl_1589625149.pdb > /var/tmp/scwrl_1589625149.log sh: /var/tmp/scwrl_1589625149.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1589625149.pdb or /var/tmp/from_scwrl_1589625149.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1589625149_b.pdb or /var/tmp/from_scwrl_1589625149_b.pdb.gz for input Trying /var/tmp/from_scwrl_1589625149_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1589625149_b.pdb or /var/tmp/from_scwrl_1589625149_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1589625149_a.pdb or /var/tmp/from_scwrl_1589625149_a.pdb.gz for input Trying /var/tmp/from_scwrl_1589625149_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1589625149_a.pdb or /var/tmp/from_scwrl_1589625149_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1589625149.pdb or /var/tmp/from_scwrl_1589625149_b.pdb or /var/tmp/from_scwrl_1589625149_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 T0322.try1-opt2.pdb looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -63.908 # GDT_score(maxd=8.000,maxw=2.900)= -67.231 # GDT_score(maxd=8.000,maxw=3.200)= -63.806 # GDT_score(maxd=8.000,maxw=3.500)= -60.501 # GDT_score(maxd=10.000,maxw=3.800)= -63.102 # GDT_score(maxd=10.000,maxw=4.000)= -61.040 # GDT_score(maxd=10.000,maxw=4.200)= -59.051 # GDT_score(maxd=12.000,maxw=4.300)= -62.492 # GDT_score(maxd=12.000,maxw=4.500)= -60.547 # GDT_score(maxd=12.000,maxw=4.700)= -58.655 # GDT_score(maxd=14.000,maxw=5.200)= -57.641 # GDT_score(maxd=14.000,maxw=5.500)= -54.987 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0322.try1-real.pdb for output Error: Couldn't open file T0322.try1-real.pdb for output superimposing iter= 0 total_weight= 1657.000 rmsd (weighted)= 7.913 (unweighted)= 16.213 superimposing iter= 1 total_weight= 4888.906 rmsd (weighted)= 2.841 (unweighted)= 16.330 superimposing iter= 2 total_weight= 3194.192 rmsd (weighted)= 1.531 (unweighted)= 16.440 superimposing iter= 3 total_weight= 1701.077 rmsd (weighted)= 1.200 (unweighted)= 16.489 superimposing iter= 4 total_weight= 1276.138 rmsd (weighted)= 1.096 (unweighted)= 16.520 superimposing iter= 5 total_weight= 1181.477 rmsd (weighted)= 1.044 (unweighted)= 16.542 EXPDTA T0322.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0322.try1-opt2.pdb ATOM 1 N MET A 1 20.399 -14.197 -5.431 1.00 0.00 ATOM 2 CA MET A 1 21.810 -13.741 -5.603 1.00 0.00 ATOM 3 CB MET A 1 21.843 -12.418 -6.386 1.00 0.00 ATOM 4 CG MET A 1 23.232 -11.989 -6.826 1.00 0.00 ATOM 5 SD MET A 1 23.286 -10.327 -7.527 1.00 0.00 ATOM 6 CE MET A 1 22.378 -10.559 -9.057 1.00 0.00 ATOM 7 O MET A 1 21.948 -12.983 -3.335 1.00 0.00 ATOM 8 C MET A 1 22.485 -13.615 -4.248 1.00 0.00 ATOM 9 N SER A 2 23.680 -14.204 -4.090 1.00 0.00 ATOM 10 CA SER A 2 24.422 -14.158 -2.837 1.00 0.00 ATOM 11 CB SER A 2 25.559 -15.188 -2.847 1.00 0.00 ATOM 12 OG SER A 2 26.615 -14.788 -3.702 1.00 0.00 ATOM 13 O SER A 2 25.038 -11.935 -3.508 1.00 0.00 ATOM 14 C SER A 2 25.005 -12.765 -2.599 1.00 0.00 ATOM 15 N ASP A 3 25.465 -12.518 -1.372 1.00 0.00 ATOM 16 CA ASP A 3 26.051 -11.217 -1.033 1.00 0.00 ATOM 17 CB ASP A 3 26.356 -11.156 0.458 1.00 0.00 ATOM 18 CG ASP A 3 25.116 -11.025 1.295 1.00 0.00 ATOM 19 OD1 ASP A 3 24.037 -10.658 0.770 1.00 0.00 ATOM 20 OD2 ASP A 3 25.134 -11.245 2.523 1.00 0.00 ATOM 21 O ASP A 3 27.562 -9.790 -2.295 1.00 0.00 ATOM 22 C ASP A 3 27.335 -10.923 -1.850 1.00 0.00 ATOM 23 N ASP A 4 28.196 -11.914 -2.012 1.00 0.00 ATOM 24 CA ASP A 4 29.411 -11.735 -2.793 1.00 0.00 ATOM 25 CB ASP A 4 30.278 -12.997 -2.751 1.00 0.00 ATOM 26 CG ASP A 4 31.062 -13.161 -1.489 1.00 0.00 ATOM 27 OD1 ASP A 4 31.358 -12.168 -0.781 1.00 0.00 ATOM 28 OD2 ASP A 4 31.486 -14.284 -1.154 1.00 0.00 ATOM 29 O ASP A 4 29.685 -10.603 -4.892 1.00 0.00 ATOM 30 C ASP A 4 29.042 -11.439 -4.244 1.00 0.00 ATOM 31 N LEU A 5 28.030 -12.125 -4.767 1.00 0.00 ATOM 32 CA LEU A 5 27.606 -11.879 -6.141 1.00 0.00 ATOM 33 CB LEU A 5 26.608 -12.928 -6.601 1.00 0.00 ATOM 34 CG LEU A 5 26.068 -12.728 -8.008 1.00 0.00 ATOM 35 CD1 LEU A 5 27.167 -12.679 -9.080 1.00 0.00 ATOM 36 CD2 LEU A 5 25.091 -13.850 -8.285 1.00 0.00 ATOM 37 O LEU A 5 27.373 -9.784 -7.299 1.00 0.00 ATOM 38 C LEU A 5 27.043 -10.474 -6.324 1.00 0.00 ATOM 39 N THR A 6 26.217 -10.026 -5.398 1.00 0.00 ATOM 40 CA THR A 6 25.652 -8.686 -5.452 1.00 0.00 ATOM 41 CB THR A 6 24.671 -8.395 -4.346 1.00 0.00 ATOM 42 CG2 THR A 6 23.539 -9.411 -4.450 1.00 0.00 ATOM 43 OG1 THR A 6 25.283 -8.573 -3.070 1.00 0.00 ATOM 44 O THR A 6 26.732 -6.672 -6.177 1.00 0.00 ATOM 45 C THR A 6 26.731 -7.615 -5.386 1.00 0.00 ATOM 46 N ASP A 7 27.646 -7.776 -4.455 1.00 0.00 ATOM 47 CA ASP A 7 28.721 -6.802 -4.279 1.00 0.00 ATOM 48 CB ASP A 7 29.537 -7.110 -2.993 1.00 0.00 ATOM 49 CG ASP A 7 28.717 -6.963 -1.728 1.00 0.00 ATOM 50 OD1 ASP A 7 27.597 -6.406 -1.801 1.00 0.00 ATOM 51 OD2 ASP A 7 29.207 -7.398 -0.663 1.00 0.00 ATOM 52 O ASP A 7 30.049 -5.686 -5.920 1.00 0.00 ATOM 53 C ASP A 7 29.645 -6.761 -5.488 1.00 0.00 ATOM 54 N ALA A 8 29.970 -7.920 -6.057 1.00 0.00 ATOM 55 CA ALA A 8 30.854 -7.950 -7.209 1.00 0.00 ATOM 56 CB ALA A 8 31.340 -9.380 -7.453 1.00 0.00 ATOM 57 O ALA A 8 30.914 -6.704 -9.250 1.00 0.00 ATOM 58 C ALA A 8 30.193 -7.337 -8.455 1.00 0.00 ATOM 59 N GLN A 9 28.901 -7.541 -8.671 1.00 0.00 ATOM 60 CA GLN A 9 28.242 -6.990 -9.851 1.00 0.00 ATOM 61 CB GLN A 9 26.852 -7.605 -10.051 1.00 0.00 ATOM 62 CG GLN A 9 26.912 -9.150 -10.178 1.00 0.00 ATOM 63 CD GLN A 9 27.813 -9.585 -11.285 1.00 0.00 ATOM 64 OE1 GLN A 9 27.744 -9.048 -12.413 1.00 0.00 ATOM 65 NE2 GLN A 9 28.699 -10.569 -10.995 1.00 0.00 ATOM 66 O GLN A 9 28.416 -4.816 -10.821 1.00 0.00 ATOM 67 C GLN A 9 28.224 -5.473 -9.799 1.00 0.00 ATOM 68 N THR A 10 27.994 -4.900 -8.644 1.00 0.00 ATOM 69 CA THR A 10 28.065 -3.446 -8.473 1.00 0.00 ATOM 70 CB THR A 10 27.701 -3.043 -7.014 1.00 0.00 ATOM 71 CG2 THR A 10 27.807 -1.528 -6.890 1.00 0.00 ATOM 72 OG1 THR A 10 26.375 -3.517 -6.725 1.00 0.00 ATOM 73 O THR A 10 29.584 -1.904 -9.586 1.00 0.00 ATOM 74 C THR A 10 29.439 -2.909 -8.880 1.00 0.00 ATOM 75 N ALA A 11 30.494 -3.566 -8.415 1.00 0.00 ATOM 76 CA ALA A 11 31.885 -3.180 -8.734 1.00 0.00 ATOM 77 CB ALA A 11 32.903 -3.998 -7.972 1.00 0.00 ATOM 78 O ALA A 11 32.831 -2.378 -10.775 1.00 0.00 ATOM 79 C ALA A 11 32.155 -3.244 -10.229 1.00 0.00 ATOM 80 N ALA A 12 31.685 -4.273 -10.912 1.00 0.00 ATOM 81 CA ALA A 12 31.854 -4.377 -12.360 1.00 0.00 ATOM 82 CB ALA A 12 31.728 -5.836 -12.806 1.00 0.00 ATOM 83 O ALA A 12 31.179 -2.911 -14.128 1.00 0.00 ATOM 84 C ALA A 12 30.841 -3.557 -13.140 1.00 0.00 ATOM 85 N ILE A 13 29.527 -3.586 -12.678 1.00 0.00 ATOM 86 CA ILE A 13 28.457 -2.889 -13.379 1.00 0.00 ATOM 87 CB ILE A 13 27.599 -3.879 -14.278 1.00 0.00 ATOM 88 CG1 ILE A 13 28.491 -4.963 -14.917 1.00 0.00 ATOM 89 CG2 ILE A 13 26.800 -3.102 -15.329 1.00 0.00 ATOM 90 CD1 ILE A 13 29.535 -4.432 -15.880 1.00 0.00 ATOM 91 O ILE A 13 26.459 -2.336 -12.171 1.00 0.00 ATOM 92 C ILE A 13 27.619 -2.024 -12.443 1.00 0.00 ATOM 93 N PRO A 14 28.199 -0.934 -11.923 1.00 0.00 ATOM 94 CA PRO A 14 27.479 -0.040 -11.008 1.00 0.00 ATOM 95 CB PRO A 14 28.519 1.034 -10.678 1.00 0.00 ATOM 96 CG PRO A 14 29.430 1.020 -11.861 1.00 0.00 ATOM 97 CD PRO A 14 29.567 -0.449 -12.163 1.00 0.00 ATOM 98 O PRO A 14 25.182 0.630 -10.819 1.00 0.00 ATOM 99 C PRO A 14 26.173 0.544 -11.548 1.00 0.00 ATOM 100 N GLU A 15 26.149 0.932 -12.811 1.00 0.00 ATOM 101 CA GLU A 15 24.939 1.501 -13.412 1.00 0.00 ATOM 102 CB GLU A 15 25.163 2.002 -14.818 1.00 0.00 ATOM 103 CG GLU A 15 23.989 2.753 -15.426 1.00 0.00 ATOM 104 CD GLU A 15 23.799 4.187 -14.948 1.00 0.00 ATOM 105 OE1 GLU A 15 24.624 4.715 -14.178 1.00 0.00 ATOM 106 OE2 GLU A 15 22.803 4.793 -15.391 1.00 0.00 ATOM 107 O GLU A 15 22.669 0.748 -13.145 1.00 0.00 ATOM 108 C GLU A 15 23.827 0.450 -13.444 1.00 0.00 ATOM 109 N GLY A 16 24.192 -0.767 -13.811 1.00 0.00 ATOM 110 CA GLY A 16 23.212 -1.837 -13.877 1.00 0.00 ATOM 111 O GLY A 16 21.379 -2.295 -12.381 1.00 0.00 ATOM 112 C GLY A 16 22.607 -2.156 -12.525 1.00 0.00 ATOM 113 N PHE A 17 23.443 -2.279 -11.503 1.00 0.00 ATOM 114 CA PHE A 17 22.962 -2.572 -10.169 1.00 0.00 ATOM 115 CB PHE A 17 24.120 -2.812 -9.199 1.00 0.00 ATOM 116 CG PHE A 17 23.687 -3.307 -7.848 1.00 0.00 ATOM 117 CD1 PHE A 17 23.243 -4.609 -7.683 1.00 0.00 ATOM 118 CD2 PHE A 17 23.724 -2.475 -6.745 1.00 0.00 ATOM 119 CE1 PHE A 17 22.844 -5.064 -6.440 1.00 0.00 ATOM 120 CE2 PHE A 17 23.326 -2.931 -5.502 1.00 0.00 ATOM 121 CZ PHE A 17 22.888 -4.220 -5.348 1.00 0.00 ATOM 122 O PHE A 17 21.017 -1.710 -9.048 1.00 0.00 ATOM 123 C PHE A 17 22.041 -1.449 -9.682 1.00 0.00 ATOM 124 N SER A 18 22.406 -0.166 -9.972 1.00 0.00 ATOM 125 CA SER A 18 21.611 0.992 -9.567 1.00 0.00 ATOM 126 CB SER A 18 22.295 2.292 -9.993 1.00 0.00 ATOM 127 OG SER A 18 23.529 2.464 -9.319 1.00 0.00 ATOM 128 O SER A 18 19.207 1.114 -9.568 1.00 0.00 ATOM 129 C SER A 18 20.231 0.887 -10.215 1.00 0.00 ATOM 130 N GLN A 19 20.243 0.519 -11.512 1.00 0.00 ATOM 131 CA GLN A 19 18.972 0.381 -12.219 1.00 0.00 ATOM 132 CB GLN A 19 19.215 0.062 -13.696 1.00 0.00 ATOM 133 CG GLN A 19 17.948 0.023 -14.538 1.00 0.00 ATOM 134 CD GLN A 19 17.252 1.367 -14.603 1.00 0.00 ATOM 135 OE1 GLN A 19 17.889 2.398 -14.821 1.00 0.00 ATOM 136 NE2 GLN A 19 15.937 1.360 -14.415 1.00 0.00 ATOM 137 O GLN A 19 16.946 -0.620 -11.382 1.00 0.00 ATOM 138 C GLN A 19 18.150 -0.754 -11.589 1.00 0.00 ATOM 139 N LEU A 20 18.814 -1.868 -11.290 1.00 0.00 ATOM 140 CA LEU A 20 18.169 -3.019 -10.668 1.00 0.00 ATOM 141 CB LEU A 20 19.124 -4.161 -10.447 1.00 0.00 ATOM 142 CG LEU A 20 18.511 -5.435 -9.856 1.00 0.00 ATOM 143 CD1 LEU A 20 17.555 -6.087 -10.849 1.00 0.00 ATOM 144 CD2 LEU A 20 19.599 -6.406 -9.471 1.00 0.00 ATOM 145 O LEU A 20 16.447 -2.899 -8.978 1.00 0.00 ATOM 146 C LEU A 20 17.600 -2.606 -9.308 1.00 0.00 ATOM 147 N ASN A 21 18.425 -1.933 -8.516 1.00 0.00 ATOM 148 CA ASN A 21 18.015 -1.462 -7.202 1.00 0.00 ATOM 149 CB ASN A 21 18.945 -0.461 -6.572 1.00 0.00 ATOM 150 CG ASN A 21 18.549 -0.109 -5.108 1.00 0.00 ATOM 151 ND2 ASN A 21 18.260 1.158 -4.879 1.00 0.00 ATOM 152 OD1 ASN A 21 18.537 -0.989 -4.184 1.00 0.00 ATOM 153 O ASN A 21 15.885 -0.769 -6.363 1.00 0.00 ATOM 154 C ASN A 21 16.759 -0.587 -7.193 1.00 0.00 ATOM 155 N TRP A 22 16.681 0.364 -8.117 1.00 0.00 ATOM 156 CA TRP A 22 15.509 1.220 -8.241 1.00 0.00 ATOM 157 CB TRP A 22 15.751 2.366 -9.226 1.00 0.00 ATOM 158 CG TRP A 22 16.708 3.401 -8.719 1.00 0.00 ATOM 159 CD1 TRP A 22 17.976 3.635 -9.168 1.00 0.00 ATOM 160 CD2 TRP A 22 16.474 4.343 -7.664 1.00 0.00 ATOM 161 CE2 TRP A 22 17.645 5.117 -7.530 1.00 0.00 ATOM 162 CE3 TRP A 22 15.391 4.608 -6.822 1.00 0.00 ATOM 163 NE1 TRP A 22 18.547 4.665 -8.460 1.00 0.00 ATOM 164 CZ2 TRP A 22 17.761 6.136 -6.587 1.00 0.00 ATOM 165 CZ3 TRP A 22 15.511 5.620 -5.888 1.00 0.00 ATOM 166 CH2 TRP A 22 16.685 6.373 -5.777 1.00 0.00 ATOM 167 O TRP A 22 13.177 0.703 -8.251 1.00 0.00 ATOM 168 C TRP A 22 14.292 0.438 -8.699 1.00 0.00 ATOM 169 N SER A 23 14.515 -0.528 -9.584 1.00 0.00 ATOM 170 CA SER A 23 13.447 -1.363 -10.114 1.00 0.00 ATOM 171 CB SER A 23 13.967 -2.227 -11.266 1.00 0.00 ATOM 172 OG SER A 23 14.359 -1.425 -12.366 1.00 0.00 ATOM 173 O SER A 23 11.706 -2.445 -8.870 1.00 0.00 ATOM 174 C SER A 23 12.915 -2.250 -8.993 1.00 0.00 ATOM 175 N ARG A 24 13.820 -2.726 -8.160 1.00 0.00 ATOM 176 CA ARG A 24 13.442 -3.589 -7.046 1.00 0.00 ATOM 177 CB ARG A 24 14.729 -3.703 -6.003 1.00 0.00 ATOM 178 CG ARG A 24 15.199 -5.049 -5.460 1.00 0.00 ATOM 179 CD ARG A 24 16.282 -4.872 -4.421 1.00 0.00 ATOM 180 NE ARG A 24 17.494 -4.241 -4.950 1.00 0.00 ATOM 181 CZ ARG A 24 18.444 -4.881 -5.632 1.00 0.00 ATOM 182 NH1 ARG A 24 18.332 -6.180 -5.895 1.00 0.00 ATOM 183 NH2 ARG A 24 19.519 -4.214 -6.044 1.00 0.00 ATOM 184 O ARG A 24 11.641 -3.309 -5.483 1.00 0.00 ATOM 185 C ARG A 24 12.616 -2.801 -6.028 1.00 0.00 ATOM 186 N GLY A 25 13.015 -1.553 -5.781 1.00 0.00 ATOM 187 CA GLY A 25 12.286 -0.723 -4.839 1.00 0.00 ATOM 188 O GLY A 25 9.911 -0.493 -4.529 1.00 0.00 ATOM 189 C GLY A 25 10.857 -0.446 -5.315 1.00 0.00 ATOM 190 N PHE A 26 10.687 -0.154 -6.601 1.00 0.00 ATOM 191 CA PHE A 26 9.345 0.102 -7.107 1.00 0.00 ATOM 192 CB PHE A 26 9.402 0.577 -8.559 1.00 0.00 ATOM 193 CG PHE A 26 10.018 1.937 -8.728 1.00 0.00 ATOM 194 CD1 PHE A 26 10.146 2.793 -7.649 1.00 0.00 ATOM 195 CD2 PHE A 26 10.468 2.360 -9.967 1.00 0.00 ATOM 196 CE1 PHE A 26 10.713 4.044 -7.805 1.00 0.00 ATOM 197 CE2 PHE A 26 11.033 3.611 -10.123 1.00 0.00 ATOM 198 CZ PHE A 26 11.157 4.452 -9.048 1.00 0.00 ATOM 199 O PHE A 26 7.322 -1.129 -6.737 1.00 0.00 ATOM 200 C PHE A 26 8.510 -1.171 -7.045 1.00 0.00 ATOM 201 N GLY A 27 9.145 -2.301 -7.341 1.00 0.00 ATOM 202 CA GLY A 27 8.469 -3.595 -7.332 1.00 0.00 ATOM 203 O GLY A 27 6.820 -4.344 -5.733 1.00 0.00 ATOM 204 C GLY A 27 7.963 -3.910 -5.927 1.00 0.00 ATOM 205 N ARG A 28 8.819 -3.692 -4.938 1.00 0.00 ATOM 206 CA ARG A 28 8.444 -3.951 -3.550 1.00 0.00 ATOM 207 CB ARG A 28 9.480 -3.628 -2.563 1.00 0.00 ATOM 208 CG ARG A 28 10.445 -4.786 -2.363 1.00 0.00 ATOM 209 CD ARG A 28 11.542 -4.427 -1.377 1.00 0.00 ATOM 210 NE ARG A 28 12.395 -3.349 -1.875 1.00 0.00 ATOM 211 CZ ARG A 28 13.705 -3.273 -1.657 1.00 0.00 ATOM 212 NH1 ARG A 28 14.317 -4.209 -0.943 1.00 0.00 ATOM 213 NH2 ARG A 28 14.405 -2.269 -2.164 1.00 0.00 ATOM 214 O ARG A 28 6.329 -3.542 -2.461 1.00 0.00 ATOM 215 C ARG A 28 7.261 -3.073 -3.121 1.00 0.00 ATOM 216 N GLN A 29 7.295 -1.807 -3.504 1.00 0.00 ATOM 217 CA GLN A 29 6.228 -0.873 -3.164 1.00 0.00 ATOM 218 CB GLN A 29 6.587 0.544 -3.615 1.00 0.00 ATOM 219 CG GLN A 29 7.705 1.186 -2.809 1.00 0.00 ATOM 220 CD GLN A 29 8.061 2.572 -3.307 1.00 0.00 ATOM 221 OE1 GLN A 29 7.438 3.087 -4.238 1.00 0.00 ATOM 222 NE2 GLN A 29 9.065 3.183 -2.691 1.00 0.00 ATOM 223 O GLN A 29 3.836 -0.867 -3.373 1.00 0.00 ATOM 224 C GLN A 29 4.915 -1.242 -3.842 1.00 0.00 ATOM 225 N ILE A 30 5.001 -1.987 -4.938 1.00 0.00 ATOM 226 CA ILE A 30 3.810 -2.390 -5.680 1.00 0.00 ATOM 227 CB ILE A 30 4.014 -2.275 -7.203 1.00 0.00 ATOM 228 CG1 ILE A 30 5.120 -3.226 -7.664 1.00 0.00 ATOM 229 CG2 ILE A 30 4.410 -0.856 -7.579 1.00 0.00 ATOM 230 CD1 ILE A 30 5.245 -3.332 -9.169 1.00 0.00 ATOM 231 O ILE A 30 2.402 -4.328 -5.888 1.00 0.00 ATOM 232 C ILE A 30 3.422 -3.843 -5.392 1.00 0.00 ATOM 233 N GLY A 31 4.311 -4.507 -4.553 1.00 0.00 ATOM 234 CA GLY A 31 4.023 -5.893 -4.228 1.00 0.00 ATOM 235 O GLY A 31 5.690 -6.459 -5.842 1.00 0.00 ATOM 236 C GLY A 31 5.068 -6.811 -4.837 1.00 0.00 ATOM 237 N PRO A 32 5.275 -7.983 -4.236 1.00 0.00 ATOM 238 CA PRO A 32 6.302 -8.915 -4.717 1.00 0.00 ATOM 239 CB PRO A 32 6.441 -9.913 -3.561 1.00 0.00 ATOM 240 CG PRO A 32 5.125 -9.886 -2.867 1.00 0.00 ATOM 241 CD PRO A 32 4.562 -8.503 -3.053 1.00 0.00 ATOM 242 O PRO A 32 4.734 -9.868 -6.282 1.00 0.00 ATOM 243 C PRO A 32 5.916 -9.639 -6.010 1.00 0.00 ATOM 244 N LEU A 33 6.928 -9.942 -6.819 1.00 0.00 ATOM 245 CA LEU A 33 6.777 -10.818 -7.971 1.00 0.00 ATOM 246 CB LEU A 33 7.306 -10.150 -9.249 1.00 0.00 ATOM 247 CG LEU A 33 6.804 -8.733 -9.573 1.00 0.00 ATOM 248 CD1 LEU A 33 7.508 -8.179 -10.808 1.00 0.00 ATOM 249 CD2 LEU A 33 5.288 -8.691 -9.760 1.00 0.00 ATOM 250 O LEU A 33 9.031 -11.200 -7.320 1.00 0.00 ATOM 251 C LEU A 33 8.045 -11.637 -7.911 1.00 0.00 ATOM 252 N PHE A 34 8.158 -12.829 -8.627 1.00 0.00 ATOM 253 CA PHE A 34 9.331 -13.699 -8.650 1.00 0.00 ATOM 254 CB PHE A 34 8.892 -14.980 -7.935 1.00 0.00 ATOM 255 CG PHE A 34 8.439 -14.759 -6.521 1.00 0.00 ATOM 256 CD1 PHE A 34 7.105 -14.531 -6.232 1.00 0.00 ATOM 257 CD2 PHE A 34 9.348 -14.780 -5.478 1.00 0.00 ATOM 258 CE1 PHE A 34 6.688 -14.328 -4.931 1.00 0.00 ATOM 259 CE2 PHE A 34 8.932 -14.576 -4.175 1.00 0.00 ATOM 260 CZ PHE A 34 7.608 -14.351 -3.900 1.00 0.00 ATOM 261 O PHE A 34 9.313 -13.694 -11.061 1.00 0.00 ATOM 262 C PHE A 34 9.968 -13.900 -10.033 1.00 0.00 ATOM 263 N GLU A 35 11.245 -14.282 -10.048 1.00 0.00 ATOM 264 CA GLU A 35 11.962 -14.543 -11.301 1.00 0.00 ATOM 265 CB GLU A 35 13.324 -13.836 -11.374 1.00 0.00 ATOM 266 CG GLU A 35 14.223 -14.324 -12.504 1.00 0.00 ATOM 267 CD GLU A 35 15.553 -13.605 -12.538 1.00 0.00 ATOM 268 OE1 GLU A 35 15.993 -13.135 -11.472 1.00 0.00 ATOM 269 OE2 GLU A 35 16.163 -13.527 -13.626 1.00 0.00 ATOM 270 O GLU A 35 12.461 -16.748 -10.505 1.00 0.00 ATOM 271 C GLU A 35 11.986 -16.063 -11.403 1.00 0.00 ATOM 272 N HIS A 36 11.468 -16.585 -12.503 1.00 0.00 ATOM 273 CA HIS A 36 11.406 -18.031 -12.717 1.00 0.00 ATOM 274 CB HIS A 36 10.087 -18.411 -13.391 1.00 0.00 ATOM 275 CG HIS A 36 9.919 -19.883 -13.603 1.00 0.00 ATOM 276 CD2 HIS A 36 9.892 -20.770 -14.758 1.00 0.00 ATOM 277 ND1 HIS A 36 9.733 -20.769 -12.564 1.00 0.00 ATOM 278 CE1 HIS A 36 9.614 -22.011 -13.062 1.00 0.00 ATOM 279 NE2 HIS A 36 9.708 -22.019 -14.378 1.00 0.00 ATOM 280 O HIS A 36 13.170 -19.531 -13.374 1.00 0.00 ATOM 281 C HIS A 36 12.571 -18.483 -13.599 1.00 0.00 ATOM 282 N ARG A 37 12.889 -17.670 -14.599 1.00 0.00 ATOM 283 CA ARG A 37 13.953 -17.978 -15.540 1.00 0.00 ATOM 284 CB ARG A 37 13.420 -18.872 -16.661 1.00 0.00 ATOM 285 CG ARG A 37 14.498 -19.426 -17.579 1.00 0.00 ATOM 286 CD ARG A 37 13.903 -20.333 -18.644 1.00 0.00 ATOM 287 NE ARG A 37 14.897 -20.738 -19.634 1.00 0.00 ATOM 288 CZ ARG A 37 14.734 -21.741 -20.489 1.00 0.00 ATOM 289 NH1 ARG A 37 15.694 -22.039 -21.354 1.00 0.00 ATOM 290 NH2 ARG A 37 13.612 -22.447 -20.476 1.00 0.00 ATOM 291 O ARG A 37 13.783 -15.735 -16.289 1.00 0.00 ATOM 292 C ARG A 37 14.512 -16.667 -16.047 1.00 0.00 ATOM 293 N GLU A 38 15.808 -16.570 -16.232 1.00 0.00 ATOM 294 CA GLU A 38 16.337 -15.426 -16.960 1.00 0.00 ATOM 295 CB GLU A 38 17.033 -14.450 -16.022 1.00 0.00 ATOM 296 CG GLU A 38 18.400 -14.842 -15.437 1.00 0.00 ATOM 297 CD GLU A 38 18.312 -15.818 -14.275 1.00 0.00 ATOM 298 OE1 GLU A 38 19.229 -16.658 -14.143 1.00 0.00 ATOM 299 OE2 GLU A 38 17.347 -15.740 -13.480 1.00 0.00 ATOM 300 O GLU A 38 18.239 -16.807 -17.379 1.00 0.00 ATOM 301 C GLU A 38 17.593 -15.814 -17.706 1.00 0.00 ATOM 302 N GLY A 39 17.926 -15.086 -18.695 1.00 0.00 ATOM 303 CA GLY A 39 19.114 -15.336 -19.487 1.00 0.00 ATOM 304 O GLY A 39 18.560 -13.194 -20.308 1.00 0.00 ATOM 305 C GLY A 39 19.294 -14.162 -20.407 1.00 0.00 ATOM 306 N PRO A 40 20.276 -14.244 -21.291 1.00 0.00 ATOM 307 CA PRO A 40 20.575 -13.154 -22.212 1.00 0.00 ATOM 308 CB PRO A 40 21.691 -13.715 -23.097 1.00 0.00 ATOM 309 CG PRO A 40 22.347 -14.759 -22.256 1.00 0.00 ATOM 310 CD PRO A 40 21.242 -15.428 -21.487 1.00 0.00 ATOM 311 O PRO A 40 18.987 -13.403 -23.991 1.00 0.00 ATOM 312 C PRO A 40 19.418 -12.689 -23.092 1.00 0.00 ATOM 313 N GLY A 41 18.935 -11.481 -22.812 1.00 0.00 ATOM 314 CA GLY A 41 17.852 -10.899 -23.577 1.00 0.00 ATOM 315 O GLY A 41 15.495 -10.873 -23.830 1.00 0.00 ATOM 316 C GLY A 41 16.443 -11.299 -23.182 1.00 0.00 ATOM 317 N GLN A 42 16.285 -12.098 -22.135 1.00 0.00 ATOM 318 CA GLN A 42 14.948 -12.505 -21.728 1.00 0.00 ATOM 319 CB GLN A 42 14.532 -13.766 -22.488 1.00 0.00 ATOM 320 CG GLN A 42 15.376 -14.989 -22.170 1.00 0.00 ATOM 321 CD GLN A 42 14.953 -16.211 -22.961 1.00 0.00 ATOM 322 OE1 GLN A 42 13.981 -16.168 -23.716 1.00 0.00 ATOM 323 NE2 GLN A 42 15.683 -17.307 -22.790 1.00 0.00 ATOM 324 O GLN A 42 15.743 -13.233 -19.581 1.00 0.00 ATOM 325 C GLN A 42 14.793 -12.832 -20.256 1.00 0.00 ATOM 326 N ALA A 43 13.576 -12.647 -19.761 1.00 0.00 ATOM 327 CA ALA A 43 13.271 -12.938 -18.366 1.00 0.00 ATOM 328 CB ALA A 43 13.332 -11.679 -17.514 1.00 0.00 ATOM 329 O ALA A 43 10.937 -12.936 -18.929 1.00 0.00 ATOM 330 C ALA A 43 11.833 -13.429 -18.248 1.00 0.00 ATOM 331 N ARG A 44 11.630 -14.415 -17.395 1.00 0.00 ATOM 332 CA ARG A 44 10.313 -14.967 -17.150 1.00 0.00 ATOM 333 CB ARG A 44 10.290 -16.454 -17.507 1.00 0.00 ATOM 334 CG ARG A 44 8.935 -17.117 -17.321 1.00 0.00 ATOM 335 CD ARG A 44 8.972 -18.579 -17.737 1.00 0.00 ATOM 336 NE ARG A 44 7.683 -19.236 -17.541 1.00 0.00 ATOM 337 CZ ARG A 44 7.417 -20.485 -17.914 1.00 0.00 ATOM 338 NH1 ARG A 44 6.215 -21.000 -17.695 1.00 0.00 ATOM 339 NH2 ARG A 44 8.353 -21.214 -18.505 1.00 0.00 ATOM 340 O ARG A 44 10.817 -15.250 -14.836 1.00 0.00 ATOM 341 C ARG A 44 10.064 -14.748 -15.662 1.00 0.00 ATOM 342 N LEU A 45 9.047 -13.962 -15.330 1.00 0.00 ATOM 343 CA LEU A 45 8.704 -13.687 -13.940 1.00 0.00 ATOM 344 CB LEU A 45 8.853 -12.195 -13.638 1.00 0.00 ATOM 345 CG LEU A 45 10.244 -11.593 -13.854 1.00 0.00 ATOM 346 CD1 LEU A 45 10.217 -10.088 -13.641 1.00 0.00 ATOM 347 CD2 LEU A 45 11.246 -12.196 -12.882 1.00 0.00 ATOM 348 O LEU A 45 6.513 -14.371 -14.602 1.00 0.00 ATOM 349 C LEU A 45 7.274 -14.119 -13.674 1.00 0.00 ATOM 350 N ALA A 46 6.901 -14.260 -12.408 1.00 0.00 ATOM 351 CA ALA A 46 5.555 -14.683 -12.039 1.00 0.00 ATOM 352 CB ALA A 46 5.574 -16.112 -11.518 1.00 0.00 ATOM 353 O ALA A 46 5.638 -13.393 -10.035 1.00 0.00 ATOM 354 C ALA A 46 4.934 -13.859 -10.942 1.00 0.00 ATOM 355 N PHE A 47 3.561 -13.609 -11.008 1.00 0.00 ATOM 356 CA PHE A 47 2.908 -12.918 -9.920 1.00 0.00 ATOM 357 CB PHE A 47 2.783 -11.467 -10.392 1.00 0.00 ATOM 358 CG PHE A 47 2.050 -10.579 -9.429 1.00 0.00 ATOM 359 CD1 PHE A 47 2.703 -10.021 -8.345 1.00 0.00 ATOM 360 CD2 PHE A 47 0.706 -10.300 -9.608 1.00 0.00 ATOM 361 CE1 PHE A 47 2.028 -9.202 -7.458 1.00 0.00 ATOM 362 CE2 PHE A 47 0.032 -9.481 -8.723 1.00 0.00 ATOM 363 CZ PHE A 47 0.687 -8.933 -7.652 1.00 0.00 ATOM 364 O PHE A 47 0.818 -13.808 -10.694 1.00 0.00 ATOM 365 C PHE A 47 1.503 -13.485 -9.720 1.00 0.00 ATOM 366 N ARG A 48 1.073 -13.603 -8.466 1.00 0.00 ATOM 367 CA ARG A 48 -0.273 -14.105 -8.173 1.00 0.00 ATOM 368 CB ARG A 48 -0.292 -14.835 -6.840 1.00 0.00 ATOM 369 CG ARG A 48 -1.705 -15.220 -6.444 1.00 0.00 ATOM 370 CD ARG A 48 -1.696 -15.777 -5.038 1.00 0.00 ATOM 371 NE ARG A 48 -3.039 -16.065 -4.533 1.00 0.00 ATOM 372 CZ ARG A 48 -3.626 -17.257 -4.572 1.00 0.00 ATOM 373 NH1 ARG A 48 -3.013 -18.312 -5.104 1.00 0.00 ATOM 374 NH2 ARG A 48 -4.849 -17.385 -4.075 1.00 0.00 ATOM 375 O ARG A 48 -0.902 -12.025 -7.160 1.00 0.00 ATOM 376 C ARG A 48 -1.207 -12.918 -7.954 1.00 0.00 ATOM 377 N VAL A 49 -2.323 -12.895 -8.681 1.00 0.00 ATOM 378 CA VAL A 49 -3.307 -11.819 -8.568 1.00 0.00 ATOM 379 CB VAL A 49 -4.350 -11.886 -9.699 1.00 0.00 ATOM 380 CG1 VAL A 49 -5.423 -10.829 -9.496 1.00 0.00 ATOM 381 CG2 VAL A 49 -3.688 -11.648 -11.048 1.00 0.00 ATOM 382 O VAL A 49 -4.560 -13.017 -6.905 1.00 0.00 ATOM 383 C VAL A 49 -4.037 -11.950 -7.234 1.00 0.00 ATOM 384 N GLU A 50 -4.087 -10.860 -6.483 1.00 0.00 ATOM 385 CA GLU A 50 -4.753 -10.854 -5.194 1.00 0.00 ATOM 386 CB GLU A 50 -3.821 -10.284 -4.122 1.00 0.00 ATOM 387 CG GLU A 50 -2.579 -11.122 -3.870 1.00 0.00 ATOM 388 CD GLU A 50 -1.707 -10.553 -2.769 1.00 0.00 ATOM 389 OE1 GLU A 50 -2.068 -9.497 -2.211 1.00 0.00 ATOM 390 OE2 GLU A 50 -0.661 -11.166 -2.462 1.00 0.00 ATOM 391 O GLU A 50 -6.160 -9.174 -6.159 1.00 0.00 ATOM 392 C GLU A 50 -6.013 -9.999 -5.256 1.00 0.00 ATOM 393 N GLU A 51 -6.920 -10.189 -4.301 1.00 0.00 ATOM 394 CA GLU A 51 -8.174 -9.434 -4.277 1.00 0.00 ATOM 395 CB GLU A 51 -8.992 -9.792 -3.034 1.00 0.00 ATOM 396 CG GLU A 51 -10.358 -9.128 -2.978 1.00 0.00 ATOM 397 CD GLU A 51 -11.178 -9.583 -1.787 1.00 0.00 ATOM 398 OE1 GLU A 51 -10.684 -10.433 -1.016 1.00 0.00 ATOM 399 OE2 GLU A 51 -12.313 -9.089 -1.623 1.00 0.00 ATOM 400 O GLU A 51 -8.738 -7.158 -4.787 1.00 0.00 ATOM 401 C GLU A 51 -7.940 -7.926 -4.254 1.00 0.00 ATOM 402 N HIS A 52 -6.827 -7.516 -3.654 1.00 0.00 ATOM 403 CA HIS A 52 -6.482 -6.099 -3.549 1.00 0.00 ATOM 404 CB HIS A 52 -5.181 -5.923 -2.764 1.00 0.00 ATOM 405 CG HIS A 52 -5.311 -6.221 -1.302 1.00 0.00 ATOM 406 CD2 HIS A 52 -4.740 -7.202 -0.389 1.00 0.00 ATOM 407 ND1 HIS A 52 -6.126 -5.494 -0.464 1.00 0.00 ATOM 408 CE1 HIS A 52 -6.033 -5.997 0.781 1.00 0.00 ATOM 409 NE2 HIS A 52 -5.204 -7.021 0.832 1.00 0.00 ATOM 410 O HIS A 52 -6.548 -4.233 -5.067 1.00 0.00 ATOM 411 C HIS A 52 -6.280 -5.426 -4.910 1.00 0.00 ATOM 412 N HIS A 53 -5.808 -6.176 -5.898 1.00 0.00 ATOM 413 CA HIS A 53 -5.581 -5.583 -7.207 1.00 0.00 ATOM 414 CB HIS A 53 -4.307 -6.227 -7.839 1.00 0.00 ATOM 415 CG HIS A 53 -3.012 -5.929 -7.157 1.00 0.00 ATOM 416 CD2 HIS A 53 -2.289 -6.642 -6.263 1.00 0.00 ATOM 417 ND1 HIS A 53 -2.340 -4.738 -7.334 1.00 0.00 ATOM 418 CE1 HIS A 53 -1.258 -4.730 -6.576 1.00 0.00 ATOM 419 NE2 HIS A 53 -1.204 -5.873 -5.915 1.00 0.00 ATOM 420 O HIS A 53 -6.501 -5.595 -9.421 1.00 0.00 ATOM 421 C HIS A 53 -6.707 -5.756 -8.216 1.00 0.00 ATOM 422 N THR A 54 -7.905 -6.074 -7.732 1.00 0.00 ATOM 423 CA THR A 54 -9.046 -6.253 -8.630 1.00 0.00 ATOM 424 CB THR A 54 -10.009 -7.332 -8.100 1.00 0.00 ATOM 425 CG2 THR A 54 -9.304 -8.677 -8.012 1.00 0.00 ATOM 426 OG1 THR A 54 -10.471 -6.963 -6.795 1.00 0.00 ATOM 427 O THR A 54 -10.065 -4.212 -7.854 1.00 0.00 ATOM 428 C THR A 54 -9.859 -4.970 -8.805 1.00 0.00 ATOM 429 N ASN A 55 -10.311 -4.724 -10.028 1.00 0.00 ATOM 430 CA ASN A 55 -11.104 -3.540 -10.299 1.00 0.00 ATOM 431 CB ASN A 55 -10.949 -3.113 -11.760 1.00 0.00 ATOM 432 CG ASN A 55 -11.518 -4.132 -12.728 1.00 0.00 ATOM 433 ND2 ASN A 55 -11.229 -3.952 -14.012 1.00 0.00 ATOM 434 OD1 ASN A 55 -12.209 -5.067 -12.323 1.00 0.00 ATOM 435 O ASN A 55 -12.878 -4.817 -9.331 1.00 0.00 ATOM 436 C ASN A 55 -12.564 -3.837 -10.007 1.00 0.00 ATOM 437 N GLY A 56 -13.453 -2.994 -10.524 1.00 0.00 ATOM 438 CA GLY A 56 -14.876 -3.183 -10.304 1.00 0.00 ATOM 439 O GLY A 56 -16.375 -5.050 -10.403 1.00 0.00 ATOM 440 C GLY A 56 -15.407 -4.473 -10.901 1.00 0.00 ATOM 441 N LEU A 57 -14.531 -5.172 -11.788 1.00 0.00 ATOM 442 CA LEU A 57 -14.941 -6.382 -12.482 1.00 0.00 ATOM 443 CB LEU A 57 -14.577 -6.298 -13.966 1.00 0.00 ATOM 444 CG LEU A 57 -15.222 -5.161 -14.759 1.00 0.00 ATOM 445 CD1 LEU A 57 -14.705 -5.141 -16.189 1.00 0.00 ATOM 446 CD2 LEU A 57 -16.735 -5.324 -14.801 1.00 0.00 ATOM 447 O LEU A 57 -14.724 -8.754 -12.244 1.00 0.00 ATOM 448 C LEU A 57 -14.453 -7.623 -11.797 1.00 0.00 ATOM 449 N GLY A 58 -13.722 -7.469 -10.707 1.00 0.00 ATOM 450 CA GLY A 58 -13.135 -8.629 -10.025 1.00 0.00 ATOM 451 O GLY A 58 -11.676 -10.401 -10.751 1.00 0.00 ATOM 452 C GLY A 58 -11.957 -9.201 -10.816 1.00 0.00 ATOM 453 N ASN A 59 -11.271 -8.354 -11.577 1.00 0.00 ATOM 454 CA ASN A 59 -10.115 -8.812 -12.341 1.00 0.00 ATOM 455 CB ASN A 59 -10.408 -8.756 -13.842 1.00 0.00 ATOM 456 CG ASN A 59 -11.523 -9.695 -14.253 1.00 0.00 ATOM 457 ND2 ASN A 59 -12.661 -9.129 -14.639 1.00 0.00 ATOM 458 OD1 ASN A 59 -11.363 -10.916 -14.226 1.00 0.00 ATOM 459 O ASN A 59 -9.104 -6.767 -11.606 1.00 0.00 ATOM 460 C ASN A 59 -8.935 -7.908 -12.032 1.00 0.00 ATOM 461 N CYS A 60 -7.735 -8.425 -12.239 1.00 0.00 ATOM 462 CA CYS A 60 -6.531 -7.655 -11.977 1.00 0.00 ATOM 463 CB CYS A 60 -5.287 -8.457 -12.368 1.00 0.00 ATOM 464 SG CYS A 60 -3.724 -7.599 -12.072 1.00 0.00 ATOM 465 O CYS A 60 -6.710 -6.421 -14.023 1.00 0.00 ATOM 466 C CYS A 60 -6.571 -6.368 -12.801 1.00 0.00 ATOM 467 N HIS A 61 -6.434 -5.213 -12.151 1.00 0.00 ATOM 468 CA HIS A 61 -6.471 -3.955 -12.893 1.00 0.00 ATOM 469 CB HIS A 61 -6.603 -2.772 -11.929 1.00 0.00 ATOM 470 CG HIS A 61 -6.894 -1.470 -12.608 1.00 0.00 ATOM 471 CD2 HIS A 61 -8.087 -0.669 -12.850 1.00 0.00 ATOM 472 ND1 HIS A 61 -5.914 -0.706 -13.204 1.00 0.00 ATOM 473 CE1 HIS A 61 -6.478 0.399 -13.724 1.00 0.00 ATOM 474 NE2 HIS A 61 -7.780 0.426 -13.516 1.00 0.00 ATOM 475 O HIS A 61 -4.170 -4.331 -13.473 1.00 0.00 ATOM 476 C HIS A 61 -5.241 -3.810 -13.787 1.00 0.00 ATOM 477 N GLY A 62 -5.379 -3.058 -14.867 1.00 0.00 ATOM 478 CA GLY A 62 -4.272 -2.864 -15.788 1.00 0.00 ATOM 479 O GLY A 62 -1.908 -2.629 -15.632 1.00 0.00 ATOM 480 C GLY A 62 -2.997 -2.349 -15.147 1.00 0.00 ATOM 481 N GLY A 63 -3.130 -1.604 -14.056 1.00 0.00 ATOM 482 CA GLY A 63 -1.968 -1.052 -13.386 1.00 0.00 ATOM 483 O GLY A 63 0.148 -2.102 -12.992 1.00 0.00 ATOM 484 C GLY A 63 -1.076 -2.154 -12.843 1.00 0.00 ATOM 485 N MET A 64 -1.684 -3.155 -12.210 1.00 0.00 ATOM 486 CA MET A 64 -0.901 -4.253 -11.651 1.00 0.00 ATOM 487 CB MET A 64 -1.822 -5.143 -10.833 1.00 0.00 ATOM 488 CG MET A 64 -1.179 -6.366 -10.280 1.00 0.00 ATOM 489 SD MET A 64 -0.915 -7.744 -11.385 1.00 0.00 ATOM 490 CE MET A 64 -2.707 -8.387 -11.720 1.00 0.00 ATOM 491 O MET A 64 0.928 -5.436 -12.637 1.00 0.00 ATOM 492 C MET A 64 -0.226 -5.040 -12.766 1.00 0.00 ATOM 493 N LEU A 65 -0.942 -5.238 -13.865 1.00 0.00 ATOM 494 CA LEU A 65 -0.391 -5.953 -14.998 1.00 0.00 ATOM 495 CB LEU A 65 -1.452 -6.102 -16.090 1.00 0.00 ATOM 496 CG LEU A 65 -2.611 -7.053 -15.784 1.00 0.00 ATOM 497 CD1 LEU A 65 -3.676 -6.968 -16.865 1.00 0.00 ATOM 498 CD2 LEU A 65 -2.121 -8.491 -15.710 1.00 0.00 ATOM 499 O LEU A 65 1.818 -5.749 -15.907 1.00 0.00 ATOM 500 C LEU A 65 0.794 -5.175 -15.566 1.00 0.00 ATOM 501 N MET A 66 0.668 -3.858 -15.629 1.00 0.00 ATOM 502 CA MET A 66 1.746 -3.039 -16.155 1.00 0.00 ATOM 503 CB MET A 66 1.322 -1.569 -16.213 1.00 0.00 ATOM 504 CG MET A 66 0.260 -1.272 -17.258 1.00 0.00 ATOM 505 SD MET A 66 -0.306 0.440 -17.206 1.00 0.00 ATOM 506 CE MET A 66 1.160 1.299 -17.776 1.00 0.00 ATOM 507 O MET A 66 4.083 -3.369 -15.715 1.00 0.00 ATOM 508 C MET A 66 2.964 -3.174 -15.244 1.00 0.00 ATOM 509 N SER A 67 2.746 -3.091 -13.936 1.00 0.00 ATOM 510 CA SER A 67 3.850 -3.208 -12.982 1.00 0.00 ATOM 511 CB SER A 67 3.333 -3.084 -11.547 1.00 0.00 ATOM 512 OG SER A 67 2.823 -1.784 -11.300 1.00 0.00 ATOM 513 O SER A 67 5.803 -4.606 -12.998 1.00 0.00 ATOM 514 C SER A 67 4.577 -4.543 -13.085 1.00 0.00 ATOM 515 N PHE A 68 3.820 -5.615 -13.273 1.00 0.00 ATOM 516 CA PHE A 68 4.414 -6.932 -13.417 1.00 0.00 ATOM 517 CB PHE A 68 3.328 -7.997 -13.571 1.00 0.00 ATOM 518 CG PHE A 68 3.864 -9.387 -13.766 1.00 0.00 ATOM 519 CD1 PHE A 68 4.317 -10.126 -12.687 1.00 0.00 ATOM 520 CD2 PHE A 68 3.914 -9.955 -15.026 1.00 0.00 ATOM 521 CE1 PHE A 68 4.810 -11.405 -12.865 1.00 0.00 ATOM 522 CE2 PHE A 68 4.407 -11.234 -15.206 1.00 0.00 ATOM 523 CZ PHE A 68 4.855 -11.958 -14.131 1.00 0.00 ATOM 524 O PHE A 68 6.475 -7.347 -14.610 1.00 0.00 ATOM 525 C PHE A 68 5.306 -6.940 -14.666 1.00 0.00 ATOM 526 N ALA A 69 4.749 -6.477 -15.782 1.00 0.00 ATOM 527 CA ALA A 69 5.488 -6.431 -17.046 1.00 0.00 ATOM 528 CB ALA A 69 4.611 -5.864 -18.151 1.00 0.00 ATOM 529 O ALA A 69 7.796 -5.863 -17.433 1.00 0.00 ATOM 530 C ALA A 69 6.719 -5.541 -16.906 1.00 0.00 ATOM 531 N ASP A 70 6.556 -4.397 -16.225 1.00 0.00 ATOM 532 CA ASP A 70 7.688 -3.478 -16.055 1.00 0.00 ATOM 533 CB ASP A 70 7.201 -2.234 -15.307 1.00 0.00 ATOM 534 CG ASP A 70 6.339 -1.335 -16.171 1.00 0.00 ATOM 535 OD1 ASP A 70 6.310 -1.544 -17.402 1.00 0.00 ATOM 536 OD2 ASP A 70 5.692 -0.421 -15.616 1.00 0.00 ATOM 537 O ASP A 70 9.988 -3.895 -15.523 1.00 0.00 ATOM 538 C ASP A 70 8.810 -4.081 -15.222 1.00 0.00 ATOM 539 N MET A 71 8.433 -4.796 -14.162 1.00 0.00 ATOM 540 CA MET A 71 9.425 -5.409 -13.292 1.00 0.00 ATOM 541 CB MET A 71 8.794 -6.128 -12.123 1.00 0.00 ATOM 542 CG MET A 71 8.169 -5.156 -11.117 1.00 0.00 ATOM 543 SD MET A 71 9.366 -3.931 -10.479 1.00 0.00 ATOM 544 CE MET A 71 9.077 -2.511 -11.597 1.00 0.00 ATOM 545 O MET A 71 11.462 -6.545 -13.912 1.00 0.00 ATOM 546 C MET A 71 10.235 -6.478 -14.046 1.00 0.00 ATOM 547 N ALA A 72 9.573 -7.319 -14.830 1.00 0.00 ATOM 548 CA ALA A 72 10.239 -8.354 -15.618 1.00 0.00 ATOM 549 CB ALA A 72 9.235 -9.225 -16.358 1.00 0.00 ATOM 550 O ALA A 72 12.278 -8.204 -16.889 1.00 0.00 ATOM 551 C ALA A 72 11.168 -7.713 -16.640 1.00 0.00 ATOM 552 N TRP A 73 10.734 -6.585 -17.239 1.00 0.00 ATOM 553 CA TRP A 73 11.585 -5.849 -18.175 1.00 0.00 ATOM 554 CB TRP A 73 10.773 -4.681 -18.737 1.00 0.00 ATOM 555 CG TRP A 73 9.644 -5.109 -19.625 1.00 0.00 ATOM 556 CD1 TRP A 73 9.422 -6.360 -20.124 1.00 0.00 ATOM 557 CD2 TRP A 73 8.581 -4.285 -20.120 1.00 0.00 ATOM 558 CE2 TRP A 73 7.753 -5.104 -20.911 1.00 0.00 ATOM 559 CE3 TRP A 73 8.248 -2.935 -19.970 1.00 0.00 ATOM 560 NE1 TRP A 73 8.288 -6.368 -20.898 1.00 0.00 ATOM 561 CZ2 TRP A 73 6.614 -4.618 -21.551 1.00 0.00 ATOM 562 CZ3 TRP A 73 7.118 -2.457 -20.606 1.00 0.00 ATOM 563 CH2 TRP A 73 6.313 -3.293 -21.388 1.00 0.00 ATOM 564 O TRP A 73 13.895 -5.225 -18.119 1.00 0.00 ATOM 565 C TRP A 73 12.825 -5.248 -17.519 1.00 0.00 ATOM 566 N GLY A 74 12.674 -4.759 -16.286 1.00 0.00 ATOM 567 CA GLY A 74 13.803 -4.193 -15.569 1.00 0.00 ATOM 568 O GLY A 74 16.016 -5.085 -15.301 1.00 0.00 ATOM 569 C GLY A 74 14.803 -5.306 -15.255 1.00 0.00 ATOM 570 N ARG A 75 14.306 -6.497 -14.920 1.00 0.00 ATOM 571 CA ARG A 75 15.191 -7.616 -14.638 1.00 0.00 ATOM 572 CB ARG A 75 14.396 -8.779 -14.032 1.00 0.00 ATOM 573 CG ARG A 75 14.007 -8.486 -12.596 1.00 0.00 ATOM 574 CD ARG A 75 13.101 -9.536 -12.010 1.00 0.00 ATOM 575 NE ARG A 75 12.799 -9.226 -10.615 1.00 0.00 ATOM 576 CZ ARG A 75 11.790 -9.758 -9.934 1.00 0.00 ATOM 577 NH1 ARG A 75 10.980 -10.628 -10.521 1.00 0.00 ATOM 578 NH2 ARG A 75 11.594 -9.419 -8.667 1.00 0.00 ATOM 579 O ARG A 75 17.104 -8.339 -15.845 1.00 0.00 ATOM 580 C ARG A 75 15.921 -8.034 -15.898 1.00 0.00 ATOM 581 N ILE A 76 15.226 -8.054 -17.029 1.00 0.00 ATOM 582 CA ILE A 76 15.877 -8.442 -18.281 1.00 0.00 ATOM 583 CB ILE A 76 14.872 -8.495 -19.445 1.00 0.00 ATOM 584 CG1 ILE A 76 13.870 -9.632 -19.234 1.00 0.00 ATOM 585 CG2 ILE A 76 15.594 -8.731 -20.763 1.00 0.00 ATOM 586 CD1 ILE A 76 12.694 -9.596 -20.186 1.00 0.00 ATOM 587 O ILE A 76 18.060 -7.884 -19.105 1.00 0.00 ATOM 588 C ILE A 76 17.000 -7.473 -18.632 1.00 0.00 ATOM 589 N ILE A 77 16.788 -6.169 -18.384 1.00 0.00 ATOM 590 CA ILE A 77 17.787 -5.147 -18.669 1.00 0.00 ATOM 591 CB ILE A 77 17.256 -3.719 -18.443 1.00 0.00 ATOM 592 CG1 ILE A 77 16.180 -3.381 -19.477 1.00 0.00 ATOM 593 CG2 ILE A 77 18.382 -2.705 -18.571 1.00 0.00 ATOM 594 CD1 ILE A 77 15.418 -2.109 -19.173 1.00 0.00 ATOM 595 O ILE A 77 20.137 -5.383 -18.185 1.00 0.00 ATOM 596 C ILE A 77 18.988 -5.360 -17.746 1.00 0.00 ATOM 597 N SER A 78 18.700 -5.518 -16.458 1.00 0.00 ATOM 598 CA SER A 78 19.722 -5.714 -15.444 1.00 0.00 ATOM 599 CB SER A 78 19.096 -5.735 -14.049 1.00 0.00 ATOM 600 OG SER A 78 18.256 -6.864 -13.885 1.00 0.00 ATOM 601 O SER A 78 21.619 -7.067 -15.048 1.00 0.00 ATOM 602 C SER A 78 20.514 -6.995 -15.559 1.00 0.00 ATOM 603 N LEU A 79 19.941 -8.003 -16.212 1.00 0.00 ATOM 604 CA LEU A 79 20.661 -9.269 -16.394 1.00 0.00 ATOM 605 CB LEU A 79 19.710 -10.301 -17.016 1.00 0.00 ATOM 606 CG LEU A 79 18.602 -10.777 -16.070 1.00 0.00 ATOM 607 CD1 LEU A 79 17.561 -11.561 -16.876 1.00 0.00 ATOM 608 CD2 LEU A 79 19.189 -11.575 -14.920 1.00 0.00 ATOM 609 O LEU A 79 22.858 -9.880 -17.105 1.00 0.00 ATOM 610 C LEU A 79 21.897 -9.115 -17.271 1.00 0.00 ATOM 611 N GLN A 80 21.841 -8.156 -18.184 1.00 0.00 ATOM 612 CA GLN A 80 22.962 -7.885 -19.082 1.00 0.00 ATOM 613 CB GLN A 80 22.445 -7.636 -20.557 1.00 0.00 ATOM 614 CG GLN A 80 22.024 -8.989 -21.198 1.00 0.00 ATOM 615 CD GLN A 80 22.252 -9.041 -22.696 1.00 0.00 ATOM 616 OE1 GLN A 80 23.323 -9.435 -23.166 1.00 0.00 ATOM 617 NE2 GLN A 80 21.275 -8.537 -23.436 1.00 0.00 ATOM 618 O GLN A 80 25.083 -6.747 -18.944 1.00 0.00 ATOM 619 C GLN A 80 24.017 -7.029 -18.389 1.00 0.00 ATOM 620 N LYS A 81 23.722 -6.633 -17.153 1.00 0.00 ATOM 621 CA LYS A 81 24.626 -5.796 -16.375 1.00 0.00 ATOM 622 CB LYS A 81 26.018 -6.420 -16.260 1.00 0.00 ATOM 623 CG LYS A 81 26.041 -7.795 -15.618 1.00 0.00 ATOM 624 CD LYS A 81 27.478 -8.307 -15.543 1.00 0.00 ATOM 625 CE LYS A 81 27.550 -9.784 -15.220 1.00 0.00 ATOM 626 NZ LYS A 81 28.962 -10.272 -15.227 1.00 0.00 ATOM 627 O LYS A 81 25.525 -3.586 -16.712 1.00 0.00 ATOM 628 C LYS A 81 24.701 -4.428 -17.048 1.00 0.00 ATOM 629 N SER A 82 23.746 -4.182 -17.884 1.00 0.00 ATOM 630 CA SER A 82 23.710 -2.926 -18.604 1.00 0.00 ATOM 631 CB SER A 82 23.994 -3.193 -20.090 1.00 0.00 ATOM 632 OG SER A 82 25.235 -3.855 -20.247 1.00 0.00 ATOM 633 O SER A 82 21.309 -2.843 -18.458 1.00 0.00 ATOM 634 C SER A 82 22.395 -2.259 -18.286 1.00 0.00 ATOM 635 N TYR A 83 21.682 -3.056 -20.167 1.00 0.00 ATOM 636 CA TYR A 83 21.186 -2.042 -21.090 1.00 0.00 ATOM 637 CB TYR A 83 20.781 -2.681 -22.422 1.00 0.00 ATOM 638 CG TYR A 83 21.904 -3.425 -23.108 1.00 0.00 ATOM 639 CD1 TYR A 83 21.931 -4.814 -23.125 1.00 0.00 ATOM 640 CD2 TYR A 83 22.933 -2.737 -23.739 1.00 0.00 ATOM 641 CE1 TYR A 83 22.951 -5.503 -23.751 1.00 0.00 ATOM 642 CE2 TYR A 83 23.962 -3.410 -24.370 1.00 0.00 ATOM 643 CZ TYR A 83 23.965 -4.805 -24.371 1.00 0.00 ATOM 644 OH TYR A 83 24.982 -5.488 -24.994 1.00 0.00 ATOM 645 O TYR A 83 18.879 -1.409 -21.105 1.00 0.00 ATOM 646 C TYR A 83 19.972 -1.319 -20.539 1.00 0.00 ATOM 647 N SER A 84 20.164 -0.602 -19.437 1.00 0.00 ATOM 648 CA SER A 84 19.082 0.149 -18.805 1.00 0.00 ATOM 649 CB SER A 84 19.637 1.090 -17.734 1.00 0.00 ATOM 650 OG SER A 84 18.604 1.863 -17.148 1.00 0.00 ATOM 651 O SER A 84 18.903 1.796 -20.558 1.00 0.00 ATOM 652 C SER A 84 18.317 1.005 -19.815 1.00 0.00 ATOM 653 N TRP A 85 17.001 0.846 -19.828 1.00 0.00 ATOM 654 CA TRP A 85 16.169 1.584 -20.767 1.00 0.00 ATOM 655 CB TRP A 85 16.199 1.027 -22.183 1.00 0.00 ATOM 656 CG TRP A 85 15.599 -0.291 -22.428 1.00 0.00 ATOM 657 CD1 TRP A 85 14.243 -0.507 -22.752 1.00 0.00 ATOM 658 CD2 TRP A 85 16.225 -1.575 -22.447 1.00 0.00 ATOM 659 CE2 TRP A 85 15.241 -2.523 -22.860 1.00 0.00 ATOM 660 CE3 TRP A 85 17.527 -2.031 -22.223 1.00 0.00 ATOM 661 NE1 TRP A 85 14.064 -1.833 -23.013 1.00 0.00 ATOM 662 CZ2 TRP A 85 15.520 -3.872 -23.017 1.00 0.00 ATOM 663 CZ3 TRP A 85 17.809 -3.355 -22.383 1.00 0.00 ATOM 664 CH2 TRP A 85 16.828 -4.296 -22.781 1.00 0.00 ATOM 665 O TRP A 85 14.326 1.259 -19.261 1.00 0.00 ATOM 666 C TRP A 85 14.789 1.893 -20.213 1.00 0.00 ATOM 667 N VAL A 86 14.133 2.877 -20.816 1.00 0.00 ATOM 668 CA VAL A 86 12.778 3.251 -20.425 1.00 0.00 ATOM 669 CB VAL A 86 12.708 4.721 -19.972 1.00 0.00 ATOM 670 CG1 VAL A 86 13.568 4.940 -18.737 1.00 0.00 ATOM 671 CG2 VAL A 86 13.203 5.643 -21.074 1.00 0.00 ATOM 672 O VAL A 86 12.302 3.311 -22.770 1.00 0.00 ATOM 673 C VAL A 86 11.878 3.074 -21.641 1.00 0.00 ATOM 674 N THR A 87 10.633 2.683 -21.409 1.00 0.00 ATOM 675 CA THR A 87 9.695 2.506 -22.498 1.00 0.00 ATOM 676 CB THR A 87 8.332 1.984 -22.005 1.00 0.00 ATOM 677 CG2 THR A 87 7.375 1.847 -23.182 1.00 0.00 ATOM 678 OG1 THR A 87 8.508 0.700 -21.394 1.00 0.00 ATOM 679 O THR A 87 8.891 4.757 -22.312 1.00 0.00 ATOM 680 C THR A 87 9.257 3.848 -23.061 1.00 0.00 ATOM 681 N VAL A 88 9.289 3.976 -24.384 1.00 0.00 ATOM 682 CA VAL A 88 8.845 5.211 -25.027 1.00 0.00 ATOM 683 CB VAL A 88 9.806 5.639 -26.153 1.00 0.00 ATOM 684 CG1 VAL A 88 9.237 6.823 -26.917 1.00 0.00 ATOM 685 CG2 VAL A 88 11.154 6.043 -25.575 1.00 0.00 ATOM 686 O VAL A 88 6.658 5.923 -25.730 1.00 0.00 ATOM 687 C VAL A 88 7.446 4.993 -25.622 1.00 0.00 ATOM 688 N ARG A 89 7.139 3.752 -25.982 1.00 0.00 ATOM 689 CA ARG A 89 5.832 3.424 -26.536 1.00 0.00 ATOM 690 CB ARG A 89 5.897 3.419 -28.053 1.00 0.00 ATOM 691 CG ARG A 89 4.609 2.838 -28.664 1.00 0.00 ATOM 692 CD ARG A 89 4.164 3.301 -29.990 1.00 0.00 ATOM 693 NE ARG A 89 4.520 4.631 -30.499 1.00 0.00 ATOM 694 CZ ARG A 89 3.676 5.651 -30.737 1.00 0.00 ATOM 695 NH1 ARG A 89 2.428 5.647 -30.320 1.00 0.00 ATOM 696 NH2 ARG A 89 4.129 6.743 -31.327 1.00 0.00 ATOM 697 O ARG A 89 6.460 1.196 -25.932 1.00 0.00 ATOM 698 C ARG A 89 5.548 1.970 -26.224 1.00 0.00 ATOM 699 N LEU A 90 4.269 1.605 -26.236 1.00 0.00 ATOM 700 CA LEU A 90 3.881 0.223 -25.972 1.00 0.00 ATOM 701 CB LEU A 90 3.843 -0.045 -24.466 1.00 0.00 ATOM 702 CG LEU A 90 3.435 -1.456 -24.038 1.00 0.00 ATOM 703 CD1 LEU A 90 4.495 -2.469 -24.445 1.00 0.00 ATOM 704 CD2 LEU A 90 3.260 -1.530 -22.530 1.00 0.00 ATOM 705 O LEU A 90 1.617 0.782 -26.496 1.00 0.00 ATOM 706 C LEU A 90 2.502 -0.065 -26.541 1.00 0.00 ATOM 707 N MET A 91 2.341 -1.260 -27.093 1.00 0.00 ATOM 708 CA MET A 91 1.058 -1.679 -27.637 1.00 0.00 ATOM 709 CB MET A 91 1.191 -2.012 -29.125 1.00 0.00 ATOM 710 CG MET A 91 1.529 -0.818 -30.001 1.00 0.00 ATOM 711 SD MET A 91 1.568 -1.230 -31.756 1.00 0.00 ATOM 712 CE MET A 91 -0.156 -1.611 -32.052 1.00 0.00 ATOM 713 O MET A 91 1.530 -3.707 -26.491 1.00 0.00 ATOM 714 C MET A 91 0.672 -2.904 -26.833 1.00 0.00 ATOM 715 N CYS A 92 -0.606 -3.023 -26.489 1.00 0.00 ATOM 716 CA CYS A 92 -1.066 -4.134 -25.666 1.00 0.00 ATOM 717 CB CYS A 92 -1.329 -3.665 -24.233 1.00 0.00 ATOM 718 SG CYS A 92 0.140 -3.078 -23.359 1.00 0.00 ATOM 719 O CYS A 92 -3.285 -4.021 -26.519 1.00 0.00 ATOM 720 C CYS A 92 -2.358 -4.741 -26.186 1.00 0.00 ATOM 721 N ASP A 93 -2.405 -6.068 -26.244 1.00 0.00 ATOM 722 CA ASP A 93 -3.602 -6.786 -26.659 1.00 0.00 ATOM 723 CB ASP A 93 -3.285 -7.706 -27.839 1.00 0.00 ATOM 724 CG ASP A 93 -4.513 -8.419 -28.370 1.00 0.00 ATOM 725 OD1 ASP A 93 -5.583 -8.307 -27.735 1.00 0.00 ATOM 726 OD2 ASP A 93 -4.405 -9.087 -29.418 1.00 0.00 ATOM 727 O ASP A 93 -3.332 -8.465 -24.988 1.00 0.00 ATOM 728 C ASP A 93 -4.063 -7.600 -25.463 1.00 0.00 ATOM 729 N PHE A 94 -5.280 -7.353 -24.989 1.00 0.00 ATOM 730 CA PHE A 94 -5.812 -8.119 -23.858 1.00 0.00 ATOM 731 CB PHE A 94 -6.681 -7.227 -22.970 1.00 0.00 ATOM 732 CG PHE A 94 -5.914 -6.152 -22.255 1.00 0.00 ATOM 733 CD1 PHE A 94 -5.760 -4.899 -22.820 1.00 0.00 ATOM 734 CD2 PHE A 94 -5.347 -6.394 -21.016 1.00 0.00 ATOM 735 CE1 PHE A 94 -5.055 -3.910 -22.162 1.00 0.00 ATOM 736 CE2 PHE A 94 -4.639 -5.405 -20.358 1.00 0.00 ATOM 737 CZ PHE A 94 -4.492 -4.167 -20.926 1.00 0.00 ATOM 738 O PHE A 94 -7.621 -8.999 -25.148 1.00 0.00 ATOM 739 C PHE A 94 -6.637 -9.246 -24.449 1.00 0.00 ATOM 740 N LEU A 95 -6.241 -10.480 -24.161 1.00 0.00 ATOM 741 CA LEU A 95 -6.943 -11.647 -24.687 1.00 0.00 ATOM 742 CB LEU A 95 -5.943 -12.710 -25.148 1.00 0.00 ATOM 743 CG LEU A 95 -5.009 -12.312 -26.293 1.00 0.00 ATOM 744 CD1 LEU A 95 -3.989 -13.408 -26.562 1.00 0.00 ATOM 745 CD2 LEU A 95 -5.798 -12.072 -27.571 1.00 0.00 ATOM 746 O LEU A 95 -8.977 -12.720 -24.026 1.00 0.00 ATOM 747 C LEU A 95 -7.862 -12.343 -23.682 1.00 0.00 ATOM 748 N SER A 96 -7.399 -12.483 -22.443 1.00 0.00 ATOM 749 CA SER A 96 -8.167 -13.127 -21.386 1.00 0.00 ATOM 750 CB SER A 96 -7.724 -14.580 -21.195 1.00 0.00 ATOM 751 OG SER A 96 -6.381 -14.650 -20.749 1.00 0.00 ATOM 752 O SER A 96 -6.863 -11.803 -19.876 1.00 0.00 ATOM 753 C SER A 96 -7.936 -12.353 -20.097 1.00 0.00 ATOM 754 N GLY A 97 -8.944 -12.320 -19.217 1.00 0.00 ATOM 755 CA GLY A 97 -8.803 -11.594 -17.948 1.00 0.00 ATOM 756 O GLY A 97 -7.699 -13.543 -17.092 1.00 0.00 ATOM 757 C GLY A 97 -7.881 -12.336 -16.982 1.00 0.00 ATOM 758 N ALA A 98 -7.279 -11.600 -16.059 1.00 0.00 ATOM 759 CA ALA A 98 -6.429 -12.225 -15.072 1.00 0.00 ATOM 760 CB ALA A 98 -5.125 -11.457 -14.922 1.00 0.00 ATOM 761 O ALA A 98 -7.265 -11.183 -13.091 1.00 0.00 ATOM 762 C ALA A 98 -7.206 -12.208 -13.771 1.00 0.00 ATOM 763 N LYS A 99 -7.836 -13.328 -13.435 1.00 0.00 ATOM 764 CA LYS A 99 -8.644 -13.401 -12.215 1.00 0.00 ATOM 765 CB LYS A 99 -9.621 -14.576 -12.288 1.00 0.00 ATOM 766 CG LYS A 99 -10.718 -14.408 -13.326 1.00 0.00 ATOM 767 CD LYS A 99 -11.634 -15.622 -13.363 1.00 0.00 ATOM 768 CE LYS A 99 -12.746 -15.442 -14.385 1.00 0.00 ATOM 769 NZ LYS A 99 -13.636 -16.634 -14.451 1.00 0.00 ATOM 770 O LYS A 99 -6.654 -13.928 -10.970 1.00 0.00 ATOM 771 C LYS A 99 -7.837 -13.575 -10.940 1.00 0.00 ATOM 772 N LEU A 100 -8.485 -13.309 -9.813 1.00 0.00 ATOM 773 CA LEU A 100 -7.852 -13.462 -8.506 1.00 0.00 ATOM 774 CB LEU A 100 -8.846 -13.070 -7.412 1.00 0.00 ATOM 775 CG LEU A 100 -9.392 -11.651 -7.562 1.00 0.00 ATOM 776 CD1 LEU A 100 -10.490 -11.381 -6.568 1.00 0.00 ATOM 777 CD2 LEU A 100 -8.264 -10.647 -7.462 1.00 0.00 ATOM 778 O LEU A 100 -8.224 -15.832 -8.646 1.00 0.00 ATOM 779 C LEU A 100 -7.460 -14.923 -8.307 1.00 0.00 ATOM 780 N GLY A 101 -6.269 -15.123 -7.723 1.00 0.00 ATOM 781 CA GLY A 101 -5.801 -16.477 -7.495 1.00 0.00 ATOM 782 O GLY A 101 -4.170 -17.934 -8.452 1.00 0.00 ATOM 783 C GLY A 101 -4.953 -16.999 -8.639 1.00 0.00 ATOM 784 N ASP A 102 -5.124 -16.387 -9.817 1.00 0.00 ATOM 785 CA ASP A 102 -4.351 -16.827 -10.976 1.00 0.00 ATOM 786 CB ASP A 102 -4.842 -16.107 -12.233 1.00 0.00 ATOM 787 CG ASP A 102 -6.168 -16.646 -12.734 1.00 0.00 ATOM 788 OD1 ASP A 102 -6.612 -17.695 -12.221 1.00 0.00 ATOM 789 OD2 ASP A 102 -6.761 -16.021 -13.637 1.00 0.00 ATOM 790 O ASP A 102 -2.582 -15.266 -10.484 1.00 0.00 ATOM 791 C ASP A 102 -2.893 -16.412 -10.865 1.00 0.00 ATOM 792 N TRP A 103 -2.022 -17.357 -11.204 1.00 0.00 ATOM 793 CA TRP A 103 -0.584 -17.079 -11.240 1.00 0.00 ATOM 794 CB TRP A 103 0.188 -18.291 -10.689 1.00 0.00 ATOM 795 CG TRP A 103 -0.155 -18.597 -9.259 1.00 0.00 ATOM 796 CD1 TRP A 103 -1.204 -19.392 -8.800 1.00 0.00 ATOM 797 CD2 TRP A 103 0.540 -18.142 -8.093 1.00 0.00 ATOM 798 CE2 TRP A 103 -0.137 -18.676 -6.960 1.00 0.00 ATOM 799 CE3 TRP A 103 1.656 -17.314 -7.885 1.00 0.00 ATOM 800 NE1 TRP A 103 -1.184 -19.437 -7.414 1.00 0.00 ATOM 801 CZ2 TRP A 103 0.263 -18.396 -5.636 1.00 0.00 ATOM 802 CZ3 TRP A 103 2.057 -17.042 -6.560 1.00 0.00 ATOM 803 CH2 TRP A 103 1.353 -17.590 -5.457 1.00 0.00 ATOM 804 O TRP A 103 -0.412 -17.501 -13.589 1.00 0.00 ATOM 805 C TRP A 103 -0.238 -16.699 -12.670 1.00 0.00 ATOM 806 N VAL A 104 0.232 -15.493 -12.843 1.00 0.00 ATOM 807 CA VAL A 104 0.577 -15.028 -14.175 1.00 0.00 ATOM 808 CB VAL A 104 0.108 -13.580 -14.406 1.00 0.00 ATOM 809 CG1 VAL A 104 0.565 -13.083 -15.769 1.00 0.00 ATOM 810 CG2 VAL A 104 -1.410 -13.496 -14.348 1.00 0.00 ATOM 811 O VAL A 104 2.844 -14.639 -13.501 1.00 0.00 ATOM 812 C VAL A 104 2.079 -15.066 -14.369 1.00 0.00 ATOM 813 N GLU A 105 2.488 -15.497 -15.556 1.00 0.00 ATOM 814 CA GLU A 105 3.898 -15.578 -15.898 1.00 0.00 ATOM 815 CB GLU A 105 4.410 -17.021 -16.053 1.00 0.00 ATOM 816 CG GLU A 105 3.491 -18.145 -16.501 1.00 0.00 ATOM 817 CD GLU A 105 2.406 -18.516 -15.481 1.00 0.00 ATOM 818 OE1 GLU A 105 1.347 -17.903 -15.559 1.00 0.00 ATOM 819 OE2 GLU A 105 2.609 -19.401 -14.613 1.00 0.00 ATOM 820 O GLU A 105 3.397 -14.680 -18.061 1.00 0.00 ATOM 821 C GLU A 105 4.098 -14.618 -17.058 1.00 0.00 ATOM 822 N GLY A 106 5.056 -13.721 -16.911 1.00 0.00 ATOM 823 CA GLY A 106 5.330 -12.740 -17.935 1.00 0.00 ATOM 824 O GLY A 106 7.680 -13.099 -17.772 1.00 0.00 ATOM 825 C GLY A 106 6.702 -13.014 -18.512 1.00 0.00 ATOM 826 N GLU A 107 6.768 -13.210 -19.827 1.00 0.00 ATOM 827 CA GLU A 107 8.051 -13.456 -20.482 1.00 0.00 ATOM 828 CB GLU A 107 8.000 -14.809 -21.229 1.00 0.00 ATOM 829 CG GLU A 107 9.391 -15.300 -21.617 1.00 0.00 ATOM 830 CD GLU A 107 9.362 -16.640 -22.327 1.00 0.00 ATOM 831 OE1 GLU A 107 8.257 -17.207 -22.471 1.00 0.00 ATOM 832 OE2 GLU A 107 10.454 -17.108 -22.742 1.00 0.00 ATOM 833 O GLU A 107 7.608 -11.935 -22.277 1.00 0.00 ATOM 834 C GLU A 107 8.377 -12.277 -21.396 1.00 0.00 ATOM 835 N GLY A 108 9.507 -11.633 -21.137 1.00 0.00 ATOM 836 CA GLY A 108 9.956 -10.527 -21.950 1.00 0.00 ATOM 837 O GLY A 108 12.101 -11.568 -22.176 1.00 0.00 ATOM 838 C GLY A 108 11.180 -10.979 -22.737 1.00 0.00 ATOM 839 N GLU A 109 11.214 -10.644 -24.023 1.00 0.00 ATOM 840 CA GLU A 109 12.319 -11.030 -24.895 1.00 0.00 ATOM 841 CB GLU A 109 11.906 -12.236 -25.741 1.00 0.00 ATOM 842 CG GLU A 109 11.587 -13.483 -24.931 1.00 0.00 ATOM 843 CD GLU A 109 11.220 -14.667 -25.804 1.00 0.00 ATOM 844 OE1 GLU A 109 11.190 -14.506 -27.041 1.00 0.00 ATOM 845 OE2 GLU A 109 10.961 -15.755 -25.249 1.00 0.00 ATOM 846 O GLU A 109 11.850 -9.220 -26.387 1.00 0.00 ATOM 847 C GLU A 109 12.707 -9.867 -25.793 1.00 0.00 ATOM 848 N LEU A 110 14.013 -9.584 -25.946 1.00 0.00 ATOM 849 CA LEU A 110 14.369 -8.526 -26.878 1.00 0.00 ATOM 850 CB LEU A 110 15.816 -8.082 -26.554 1.00 0.00 ATOM 851 CG LEU A 110 16.381 -6.980 -27.459 1.00 0.00 ATOM 852 CD1 LEU A 110 15.572 -5.674 -27.335 1.00 0.00 ATOM 853 CD2 LEU A 110 17.844 -6.732 -27.059 1.00 0.00 ATOM 854 O LEU A 110 14.842 -9.986 -28.721 1.00 0.00 ATOM 855 C LEU A 110 14.257 -8.958 -28.338 1.00 0.00 ATOM 856 N ILE A 111 13.552 -8.190 -29.137 1.00 0.00 ATOM 857 CA ILE A 111 13.377 -8.532 -30.555 1.00 0.00 ATOM 858 CB ILE A 111 11.916 -8.246 -30.951 1.00 0.00 ATOM 859 CG1 ILE A 111 11.597 -8.891 -32.302 1.00 0.00 ATOM 860 CG2 ILE A 111 11.679 -6.748 -31.065 1.00 0.00 ATOM 861 CD1 ILE A 111 10.120 -8.911 -32.634 1.00 0.00 ATOM 862 O ILE A 111 14.702 -8.222 -32.530 1.00 0.00 ATOM 863 C ILE A 111 14.331 -7.760 -31.455 1.00 0.00 ATOM 864 N SER A 112 14.724 -6.577 -31.011 1.00 0.00 ATOM 865 CA SER A 112 15.641 -5.736 -31.772 1.00 0.00 ATOM 866 CB SER A 112 14.845 -4.896 -32.772 1.00 0.00 ATOM 867 OG SER A 112 14.058 -3.923 -32.108 1.00 0.00 ATOM 868 O SER A 112 15.800 -4.206 -29.951 1.00 0.00 ATOM 869 C SER A 112 16.390 -4.790 -30.854 1.00 0.00 ATOM 870 N GLU A 113 17.687 -4.636 -31.087 1.00 0.00 ATOM 871 CA GLU A 113 18.487 -3.739 -30.269 1.00 0.00 ATOM 872 CB GLU A 113 19.416 -4.550 -29.363 1.00 0.00 ATOM 873 CG GLU A 113 20.248 -3.704 -28.412 1.00 0.00 ATOM 874 CD GLU A 113 21.190 -4.535 -27.565 1.00 0.00 ATOM 875 OE1 GLU A 113 21.238 -5.768 -27.766 1.00 0.00 ATOM 876 OE2 GLU A 113 21.881 -3.956 -26.701 1.00 0.00 ATOM 877 O GLU A 113 20.323 -3.274 -31.734 1.00 0.00 ATOM 878 C GLU A 113 19.331 -2.834 -31.151 1.00 0.00 ATOM 879 N GLU A 114 18.923 -1.574 -31.263 1.00 0.00 ATOM 880 CA GLU A 114 19.663 -0.631 -32.078 1.00 0.00 ATOM 881 CB GLU A 114 18.712 0.367 -32.742 1.00 0.00 ATOM 882 CG GLU A 114 17.761 -0.260 -33.750 1.00 0.00 ATOM 883 CD GLU A 114 16.835 0.758 -34.388 1.00 0.00 ATOM 884 OE1 GLU A 114 16.899 1.944 -34.001 1.00 0.00 ATOM 885 OE2 GLU A 114 16.048 0.369 -35.276 1.00 0.00 ATOM 886 O GLU A 114 21.009 -0.169 -30.141 1.00 0.00 ATOM 887 C GLU A 114 20.669 0.175 -31.276 1.00 0.00 ATOM 888 N ASP A 115 21.150 1.253 -31.881 1.00 0.00 ATOM 889 CA ASP A 115 22.122 2.123 -31.236 1.00 0.00 ATOM 890 CB ASP A 115 22.580 3.221 -32.197 1.00 0.00 ATOM 891 CG ASP A 115 23.486 2.697 -33.292 1.00 0.00 ATOM 892 OD1 ASP A 115 23.954 1.545 -33.176 1.00 0.00 ATOM 893 OD2 ASP A 115 23.732 3.440 -34.266 1.00 0.00 ATOM 894 O ASP A 115 22.046 2.664 -28.898 1.00 0.00 ATOM 895 C ASP A 115 21.518 2.785 -30.002 1.00 0.00 ATOM 896 N MET A 116 20.305 3.473 -30.272 1.00 0.00 ATOM 897 CA MET A 116 19.662 4.178 -29.173 1.00 0.00 ATOM 898 CB MET A 116 19.361 5.626 -29.568 1.00 0.00 ATOM 899 CG MET A 116 20.596 6.501 -29.703 1.00 0.00 ATOM 900 SD MET A 116 20.196 8.203 -30.142 1.00 0.00 ATOM 901 CE MET A 116 19.771 8.017 -31.872 1.00 0.00 ATOM 902 O MET A 116 17.925 3.747 -27.597 1.00 0.00 ATOM 903 C MET A 116 18.347 3.565 -28.735 1.00 0.00 ATOM 904 N LEU A 117 17.699 2.844 -29.638 1.00 0.00 ATOM 905 CA LEU A 117 16.409 2.249 -29.318 1.00 0.00 ATOM 906 CB LEU A 117 15.314 2.827 -30.216 1.00 0.00 ATOM 907 CG LEU A 117 15.107 4.342 -30.142 1.00 0.00 ATOM 908 CD1 LEU A 117 14.105 4.799 -31.191 1.00 0.00 ATOM 909 CD2 LEU A 117 14.581 4.746 -28.773 1.00 0.00 ATOM 910 O LEU A 117 17.283 0.134 -30.050 1.00 0.00 ATOM 911 C LEU A 117 16.367 0.741 -29.496 1.00 0.00 ATOM 912 N PHE A 118 15.274 0.150 -29.032 1.00 0.00 ATOM 913 CA PHE A 118 15.087 -1.278 -29.152 1.00 0.00 ATOM 914 CB PHE A 118 15.259 -1.956 -27.830 1.00 0.00 ATOM 915 CG PHE A 118 16.646 -1.862 -27.252 1.00 0.00 ATOM 916 CD1 PHE A 118 17.754 -1.574 -28.033 1.00 0.00 ATOM 917 CD2 PHE A 118 16.852 -2.043 -25.887 1.00 0.00 ATOM 918 CE1 PHE A 118 19.021 -1.493 -27.477 1.00 0.00 ATOM 919 CE2 PHE A 118 18.112 -2.016 -25.340 1.00 0.00 ATOM 920 CZ PHE A 118 19.199 -1.736 -26.150 1.00 0.00 ATOM 921 O PHE A 118 12.792 -0.863 -28.581 1.00 0.00 ATOM 922 C PHE A 118 13.620 -1.668 -29.002 1.00 0.00 ATOM 923 N THR A 119 13.320 -2.904 -29.349 1.00 0.00 ATOM 924 CA THR A 119 11.959 -3.419 -29.253 1.00 0.00 ATOM 925 CB THR A 119 11.442 -3.705 -30.675 1.00 0.00 ATOM 926 CG2 THR A 119 10.003 -4.192 -30.631 1.00 0.00 ATOM 927 OG1 THR A 119 11.502 -2.506 -31.459 1.00 0.00 ATOM 928 O THR A 119 12.730 -5.607 -28.676 1.00 0.00 ATOM 929 C THR A 119 11.936 -4.699 -28.441 1.00 0.00 ATOM 930 N VAL A 120 11.022 -4.748 -27.481 1.00 0.00 ATOM 931 CA VAL A 120 10.861 -5.888 -26.606 1.00 0.00 ATOM 932 CB VAL A 120 11.113 -5.519 -25.132 1.00 0.00 ATOM 933 CG1 VAL A 120 10.874 -6.723 -24.233 1.00 0.00 ATOM 934 CG2 VAL A 120 12.546 -5.050 -24.937 1.00 0.00 ATOM 935 O VAL A 120 8.491 -5.712 -26.789 1.00 0.00 ATOM 936 C VAL A 120 9.455 -6.457 -26.696 1.00 0.00 ATOM 937 N ARG A 121 9.355 -7.779 -26.629 1.00 0.00 ATOM 938 CA ARG A 121 8.072 -8.476 -26.682 1.00 0.00 ATOM 939 CB ARG A 121 8.121 -9.613 -27.706 1.00 0.00 ATOM 940 CG ARG A 121 8.306 -9.148 -29.141 1.00 0.00 ATOM 941 CD ARG A 121 8.386 -10.328 -30.097 1.00 0.00 ATOM 942 NE ARG A 121 9.589 -11.127 -29.880 1.00 0.00 ATOM 943 CZ ARG A 121 9.821 -12.300 -30.461 1.00 0.00 ATOM 944 NH1 ARG A 121 10.944 -12.956 -30.203 1.00 0.00 ATOM 945 NH2 ARG A 121 8.930 -12.815 -31.297 1.00 0.00 ATOM 946 O ARG A 121 8.729 -9.538 -24.651 1.00 0.00 ATOM 947 C ARG A 121 7.816 -9.032 -25.284 1.00 0.00 ATOM 948 N GLY A 122 6.586 -8.934 -24.795 1.00 0.00 ATOM 949 CA GLY A 122 6.279 -9.496 -23.488 1.00 0.00 ATOM 950 O GLY A 122 4.063 -9.817 -24.319 1.00 0.00 ATOM 951 C GLY A 122 4.969 -10.254 -23.601 1.00 0.00 ATOM 952 N ARG A 123 4.925 -11.295 -23.120 1.00 0.00 ATOM 953 CA ARG A 123 3.698 -12.092 -23.181 1.00 0.00 ATOM 954 CB ARG A 123 3.827 -13.343 -24.052 1.00 0.00 ATOM 955 CG ARG A 123 4.000 -13.053 -25.535 1.00 0.00 ATOM 956 CD ARG A 123 4.105 -14.337 -26.340 1.00 0.00 ATOM 957 NE ARG A 123 4.270 -14.075 -27.768 1.00 0.00 ATOM 958 CZ ARG A 123 4.445 -15.021 -28.686 1.00 0.00 ATOM 959 NH1 ARG A 123 4.586 -14.688 -29.962 1.00 0.00 ATOM 960 NH2 ARG A 123 4.478 -16.297 -28.325 1.00 0.00 ATOM 961 O ARG A 123 4.250 -12.981 -21.022 1.00 0.00 ATOM 962 C ARG A 123 3.378 -12.513 -21.756 1.00 0.00 ATOM 963 N ILE A 124 2.123 -12.339 -21.372 1.00 0.00 ATOM 964 CA ILE A 124 1.674 -12.733 -20.048 1.00 0.00 ATOM 965 CB ILE A 124 1.011 -11.556 -19.310 1.00 0.00 ATOM 966 CG1 ILE A 124 2.006 -10.407 -19.135 1.00 0.00 ATOM 967 CG2 ILE A 124 0.531 -11.992 -17.932 1.00 0.00 ATOM 968 CD1 ILE A 124 1.377 -9.129 -18.625 1.00 0.00 ATOM 969 O ILE A 124 -0.333 -13.723 -20.871 1.00 0.00 ATOM 970 C ILE A 124 0.659 -13.855 -20.168 1.00 0.00 ATOM 971 N TRP A 125 0.918 -14.959 -19.487 1.00 0.00 ATOM 972 CA TRP A 125 0.014 -16.092 -19.529 1.00 0.00 ATOM 973 CB TRP A 125 0.730 -17.418 -19.704 1.00 0.00 ATOM 974 CG TRP A 125 1.189 -17.635 -21.116 1.00 0.00 ATOM 975 CD1 TRP A 125 0.550 -18.333 -22.089 1.00 0.00 ATOM 976 CD2 TRP A 125 2.409 -17.153 -21.694 1.00 0.00 ATOM 977 CE2 TRP A 125 2.437 -17.591 -23.032 1.00 0.00 ATOM 978 CE3 TRP A 125 3.482 -16.382 -21.224 1.00 0.00 ATOM 979 NE1 TRP A 125 1.296 -18.318 -23.249 1.00 0.00 ATOM 980 CZ2 TRP A 125 3.483 -17.298 -23.899 1.00 0.00 ATOM 981 CZ3 TRP A 125 4.517 -16.084 -22.085 1.00 0.00 ATOM 982 CH2 TRP A 125 4.522 -16.542 -23.423 1.00 0.00 ATOM 983 O TRP A 125 0.219 -15.983 -17.140 1.00 0.00 ATOM 984 C TRP A 125 -0.412 -16.432 -18.108 1.00 0.00 ATOM 985 N ALA A 126 -1.493 -17.199 -17.973 1.00 0.00 ATOM 986 CA ALA A 126 -1.966 -17.605 -16.645 1.00 0.00 ATOM 987 CB ALA A 126 -2.774 -16.508 -15.975 1.00 0.00 ATOM 988 O ALA A 126 -3.816 -18.886 -17.492 1.00 0.00 ATOM 989 C ALA A 126 -2.821 -18.870 -16.754 1.00 0.00 ATOM 990 N GLY A 127 -2.463 -19.833 -15.887 1.00 0.00 ATOM 991 CA GLY A 127 -3.327 -21.004 -15.755 1.00 0.00 ATOM 992 O GLY A 127 -1.924 -22.050 -17.433 1.00 0.00 ATOM 993 C GLY A 127 -3.075 -21.771 -17.066 1.00 0.00 ATOM 994 N GLU A 128 -4.137 -22.080 -17.753 1.00 0.00 ATOM 995 CA GLU A 128 -4.084 -22.799 -19.028 1.00 0.00 ATOM 996 CB GLU A 128 -5.434 -23.530 -19.186 1.00 0.00 ATOM 997 CG GLU A 128 -5.607 -24.598 -18.078 1.00 0.00 ATOM 998 CD GLU A 128 -6.911 -25.319 -18.182 1.00 0.00 ATOM 999 OE1 GLU A 128 -7.897 -24.822 -18.697 1.00 0.00 ATOM 1000 OE2 GLU A 128 -6.854 -26.546 -17.698 1.00 0.00 ATOM 1001 O GLU A 128 -3.843 -22.386 -21.359 1.00 0.00 ATOM 1002 C GLU A 128 -3.961 -21.908 -20.233 1.00 0.00 ATOM 1003 N ARG A 129 -4.005 -20.606 -20.013 1.00 0.00 ATOM 1004 CA ARG A 129 -3.921 -19.666 -21.121 1.00 0.00 ATOM 1005 CB ARG A 129 -5.354 -18.916 -21.138 1.00 0.00 ATOM 1006 CG ARG A 129 -6.583 -19.787 -21.051 1.00 0.00 ATOM 1007 CD ARG A 129 -7.726 -18.983 -20.490 1.00 0.00 ATOM 1008 NE ARG A 129 -7.374 -18.459 -19.175 1.00 0.00 ATOM 1009 CZ ARG A 129 -8.093 -17.562 -18.517 1.00 0.00 ATOM 1010 NH1 ARG A 129 -9.207 -17.087 -19.057 1.00 0.00 ATOM 1011 NH2 ARG A 129 -7.702 -17.143 -17.321 1.00 0.00 ATOM 1012 O ARG A 129 -2.036 -18.334 -20.529 1.00 0.00 ATOM 1013 C ARG A 129 -2.577 -19.049 -21.365 1.00 0.00 ATOM 1014 N THR A 130 -2.964 -17.440 -22.779 1.00 0.00 ATOM 1015 CA THR A 130 -2.517 -16.070 -22.920 1.00 0.00 ATOM 1016 CB THR A 130 -2.248 -15.713 -24.393 1.00 0.00 ATOM 1017 CG2 THR A 130 -1.765 -14.276 -24.513 1.00 0.00 ATOM 1018 OG1 THR A 130 -1.245 -16.586 -24.925 1.00 0.00 ATOM 1019 O THR A 130 -4.677 -15.029 -22.800 1.00 0.00 ATOM 1020 C THR A 130 -3.508 -15.056 -22.415 1.00 0.00 ATOM 1021 N LEU A 131 -3.016 -14.218 -21.515 1.00 0.00 ATOM 1022 CA LEU A 131 -3.830 -13.180 -20.907 1.00 0.00 ATOM 1023 CB LEU A 131 -3.469 -12.863 -19.489 1.00 0.00 ATOM 1024 CG LEU A 131 -3.564 -14.095 -18.544 1.00 0.00 ATOM 1025 CD1 LEU A 131 -3.165 -13.671 -17.121 1.00 0.00 ATOM 1026 CD2 LEU A 131 -4.902 -14.792 -18.613 1.00 0.00 ATOM 1027 O LEU A 131 -4.633 -11.194 -22.036 1.00 0.00 ATOM 1028 C LEU A 131 -3.655 -11.873 -21.684 1.00 0.00 ATOM 1029 N ILE A 132 -2.400 -11.525 -21.966 1.00 0.00 ATOM 1030 CA ILE A 132 -2.128 -10.309 -22.705 1.00 0.00 ATOM 1031 CB ILE A 132 -2.085 -9.081 -21.777 1.00 0.00 ATOM 1032 CG1 ILE A 132 -2.039 -7.792 -22.600 1.00 0.00 ATOM 1033 CG2 ILE A 132 -0.852 -9.129 -20.887 1.00 0.00 ATOM 1034 CD1 ILE A 132 -2.335 -6.546 -21.796 1.00 0.00 ATOM 1035 O ILE A 132 0.126 -11.049 -23.009 1.00 0.00 ATOM 1036 C ILE A 132 -0.784 -10.352 -23.428 1.00 0.00 ATOM 1037 N THR A 133 -0.694 -9.621 -24.535 1.00 0.00 ATOM 1038 CA THR A 133 0.523 -9.528 -25.340 1.00 0.00 ATOM 1039 CB THR A 133 0.281 -10.031 -26.776 1.00 0.00 ATOM 1040 CG2 THR A 133 1.555 -9.922 -27.599 1.00 0.00 ATOM 1041 OG1 THR A 133 -0.134 -11.403 -26.741 1.00 0.00 ATOM 1042 O THR A 133 0.134 -7.199 -25.676 1.00 0.00 ATOM 1043 C THR A 133 0.948 -8.077 -25.386 1.00 0.00 ATOM 1044 N GLY A 134 2.219 -7.833 -25.083 1.00 0.00 ATOM 1045 CA GLY A 134 2.775 -6.489 -25.107 1.00 0.00 ATOM 1046 O GLY A 134 4.805 -7.305 -26.125 1.00 0.00 ATOM 1047 C GLY A 134 4.022 -6.350 -25.997 1.00 0.00 ATOM 1048 N THR A 135 4.078 -5.270 -26.685 1.00 0.00 ATOM 1049 CA THR A 135 5.231 -5.008 -27.566 1.00 0.00 ATOM 1050 CB THR A 135 4.844 -5.211 -29.041 1.00 0.00 ATOM 1051 CG2 THR A 135 6.049 -4.996 -29.944 1.00 0.00 ATOM 1052 OG1 THR A 135 4.355 -6.545 -29.230 1.00 0.00 ATOM 1053 O THR A 135 4.832 -2.655 -27.547 1.00 0.00 ATOM 1054 C THR A 135 5.612 -3.563 -27.292 1.00 0.00 ATOM 1055 N GLY A 136 6.801 -3.347 -26.742 1.00 0.00 ATOM 1056 CA GLY A 136 7.206 -1.986 -26.454 1.00 0.00 ATOM 1057 O GLY A 136 9.310 -2.414 -27.561 1.00 0.00 ATOM 1058 C GLY A 136 8.479 -1.569 -27.158 1.00 0.00 ATOM 1059 N VAL A 137 8.604 -0.173 -27.139 1.00 0.00 ATOM 1060 CA VAL A 137 9.799 0.464 -27.679 1.00 0.00 ATOM 1061 CB VAL A 137 9.490 1.395 -28.867 1.00 0.00 ATOM 1062 CG1 VAL A 137 10.770 2.025 -29.396 1.00 0.00 ATOM 1063 CG2 VAL A 137 8.836 0.614 -29.998 1.00 0.00 ATOM 1064 O VAL A 137 9.744 2.050 -25.868 1.00 0.00 ATOM 1065 C VAL A 137 10.442 1.264 -26.546 1.00 0.00 ATOM 1066 N PHE A 138 11.747 1.067 -26.356 1.00 0.00 ATOM 1067 CA PHE A 138 12.499 1.638 -25.249 1.00 0.00 ATOM 1068 CB PHE A 138 12.983 0.571 -24.261 1.00 0.00 ATOM 1069 CG PHE A 138 11.898 -0.319 -23.675 1.00 0.00 ATOM 1070 CD1 PHE A 138 11.354 -1.330 -24.451 1.00 0.00 ATOM 1071 CD2 PHE A 138 11.444 -0.175 -22.369 1.00 0.00 ATOM 1072 CE1 PHE A 138 10.384 -2.163 -23.946 1.00 0.00 ATOM 1073 CE2 PHE A 138 10.460 -1.003 -21.854 1.00 0.00 ATOM 1074 CZ PHE A 138 9.937 -2.004 -22.641 1.00 0.00 ATOM 1075 O PHE A 138 14.296 1.976 -26.793 1.00 0.00 ATOM 1076 C PHE A 138 13.713 2.366 -25.783 1.00 0.00 ATOM 1077 N LYS A 139 14.094 3.416 -25.071 1.00 0.00 ATOM 1078 CA LYS A 139 15.266 4.204 -25.406 1.00 0.00 ATOM 1079 CB LYS A 139 14.932 5.697 -25.406 1.00 0.00 ATOM 1080 CG LYS A 139 16.099 6.594 -25.788 1.00 0.00 ATOM 1081 CD LYS A 139 15.731 8.064 -25.664 1.00 0.00 ATOM 1082 CE LYS A 139 16.926 8.958 -25.946 1.00 0.00 ATOM 1083 NZ LYS A 139 16.586 10.400 -25.804 1.00 0.00 ATOM 1084 O LYS A 139 15.921 3.980 -23.123 1.00 0.00 ATOM 1085 C LYS A 139 16.283 3.905 -24.295 1.00 0.00 ATOM 1086 N ALA A 140 17.667 3.381 -24.763 1.00 0.00 ATOM 1087 CA ALA A 140 18.746 3.026 -23.866 1.00 0.00 ATOM 1088 CB ALA A 140 19.765 2.145 -24.572 1.00 0.00 ATOM 1089 O ALA A 140 19.867 5.128 -24.096 1.00 0.00 ATOM 1090 C ALA A 140 19.444 4.270 -23.325 1.00 0.00 ATOM 1091 N LEU A 141 19.496 4.408 -22.007 1.00 0.00 ATOM 1092 CA LEU A 141 20.128 5.553 -21.366 1.00 0.00 ATOM 1093 CB LEU A 141 19.199 6.226 -20.423 1.00 0.00 ATOM 1094 CG LEU A 141 19.769 7.376 -19.592 1.00 0.00 ATOM 1095 CD1 LEU A 141 20.259 8.495 -20.505 1.00 0.00 ATOM 1096 CD2 LEU A 141 18.730 7.887 -18.614 1.00 0.00 ATOM 1097 O LEU A 141 21.092 4.060 -19.761 1.00 0.00 ATOM 1098 C LEU A 141 21.295 4.910 -20.628 1.00 0.00 ATOM 1099 N SER A 142 22.520 5.247 -21.016 1.00 0.00 ATOM 1100 CA SER A 142 23.729 4.698 -20.407 1.00 0.00 ATOM 1101 CB SER A 142 24.950 5.205 -21.322 1.00 0.00 ATOM 1102 OG SER A 142 25.157 6.600 -21.166 1.00 0.00 ATOM 1103 O SER A 142 23.397 6.104 -18.498 1.00 0.00 ATOM 1104 C SER A 142 24.101 5.254 -19.040 1.00 0.00 ATOM 1105 N ALA A 143 25.200 4.766 -18.467 1.00 0.00 ATOM 1106 CA ALA A 143 25.590 5.219 -17.136 1.00 0.00 ATOM 1107 CB ALA A 143 26.651 4.288 -16.525 1.00 0.00 ATOM 1108 O ALA A 143 26.290 7.190 -15.970 1.00 0.00 ATOM 1109 C ALA A 143 26.037 6.672 -17.058 1.00 0.00 ATOM 1110 N ARG A 144 26.118 7.334 -18.218 1.00 0.00 ATOM 1111 CA ARG A 144 26.492 8.740 -18.259 1.00 0.00 ATOM 1112 CB ARG A 144 26.496 9.251 -19.701 1.00 0.00 ATOM 1113 CG ARG A 144 26.915 10.707 -19.841 1.00 0.00 ATOM 1114 CD ARG A 144 27.007 11.115 -21.302 1.00 0.00 ATOM 1115 NE ARG A 144 27.368 12.524 -21.455 1.00 0.00 ATOM 1116 CZ ARG A 144 27.466 13.147 -22.625 1.00 0.00 ATOM 1117 NH1 ARG A 144 27.801 14.429 -22.666 1.00 0.00 ATOM 1118 NH2 ARG A 144 27.232 12.485 -23.749 1.00 0.00 ATOM 1119 O ARG A 144 25.883 10.449 -16.721 1.00 0.00 ATOM 1120 C ARG A 144 25.501 9.556 -17.459 1.00 0.00 ATOM 1121 N LYS A 145 24.217 9.255 -17.606 1.00 0.00 ATOM 1122 CA LYS A 145 23.169 9.989 -16.880 1.00 0.00 ATOM 1123 CB LYS A 145 22.359 10.866 -17.837 1.00 0.00 ATOM 1124 CG LYS A 145 23.165 11.978 -18.490 1.00 0.00 ATOM 1125 CD LYS A 145 22.277 12.880 -19.332 1.00 0.00 ATOM 1126 CE LYS A 145 23.075 14.012 -19.957 1.00 0.00 ATOM 1127 NZ LYS A 145 22.227 14.878 -20.823 1.00 0.00 ATOM 1128 O LYS A 145 21.310 8.438 -16.815 1.00 0.00 ATOM 1129 C LYS A 145 22.313 8.889 -16.265 1.00 0.00 ATOM 1130 N PRO A 146 22.772 8.373 -15.099 1.00 0.00 ATOM 1131 CA PRO A 146 22.126 7.187 -14.585 1.00 0.00 ATOM 1132 CB PRO A 146 22.856 6.908 -13.269 1.00 0.00 ATOM 1133 CG PRO A 146 24.207 7.514 -13.456 1.00 0.00 ATOM 1134 CD PRO A 146 23.994 8.766 -14.259 1.00 0.00 ATOM 1135 O PRO A 146 19.937 6.273 -14.341 1.00 0.00 ATOM 1136 C PRO A 146 20.646 7.268 -14.288 1.00 0.00 ATOM 1137 N ARG A 147 20.169 8.447 -13.926 1.00 0.00 ATOM 1138 CA ARG A 147 18.753 8.665 -13.607 1.00 0.00 ATOM 1139 CB ARG A 147 18.577 10.146 -13.346 1.00 0.00 ATOM 1140 CG ARG A 147 19.409 10.591 -12.138 1.00 0.00 ATOM 1141 CD ARG A 147 19.322 12.094 -11.909 1.00 0.00 ATOM 1142 NE ARG A 147 17.993 12.505 -11.462 1.00 0.00 ATOM 1143 CZ ARG A 147 17.616 13.771 -11.308 1.00 0.00 ATOM 1144 NH1 ARG A 147 18.469 14.757 -11.568 1.00 0.00 ATOM 1145 NH2 ARG A 147 16.388 14.049 -10.893 1.00 0.00 ATOM 1146 O ARG A 147 17.673 9.200 -15.699 1.00 0.00 ATOM 1147 C ARG A 147 17.723 8.443 -14.725 1.00 0.00 ATOM 1148 N PRO A 148 16.885 7.373 -14.600 1.00 0.00 ATOM 1149 CA PRO A 148 15.864 7.063 -15.597 1.00 0.00 ATOM 1150 CB PRO A 148 15.168 5.839 -15.006 1.00 0.00 ATOM 1151 CG PRO A 148 16.265 5.179 -14.229 1.00 0.00 ATOM 1152 CD PRO A 148 16.909 6.343 -13.548 1.00 0.00 ATOM 1153 O PRO A 148 14.528 8.877 -14.737 1.00 0.00 ATOM 1154 C PRO A 148 14.839 8.175 -15.705 1.00 0.00 ATOM 1155 N GLY A 149 14.256 8.333 -16.940 1.00 0.00 ATOM 1156 CA GLY A 149 13.215 9.345 -17.127 1.00 0.00 ATOM 1157 O GLY A 149 11.600 10.177 -15.573 1.00 0.00 ATOM 1158 C GLY A 149 12.026 9.204 -16.196 1.00 0.00 ATOM 1159 N GLU A 150 11.513 7.996 -16.051 1.00 0.00 ATOM 1160 CA GLU A 150 10.368 7.753 -15.180 1.00 0.00 ATOM 1161 CB GLU A 150 9.800 6.352 -15.412 1.00 0.00 ATOM 1162 CG GLU A 150 9.270 6.087 -16.825 1.00 0.00 ATOM 1163 CD GLU A 150 10.371 5.888 -17.848 1.00 0.00 ATOM 1164 OE1 GLU A 150 11.524 5.606 -17.451 1.00 0.00 ATOM 1165 OE2 GLU A 150 10.080 5.990 -19.060 1.00 0.00 ATOM 1166 O GLU A 150 9.990 8.494 -12.935 1.00 0.00 ATOM 1167 C GLU A 150 10.742 7.915 -13.712 1.00 0.00 ATOM 1168 N LEU A 151 11.893 7.408 -13.326 1.00 0.00 ATOM 1169 CA LEU A 151 12.339 7.506 -11.941 1.00 0.00 ATOM 1170 CB LEU A 151 13.685 6.792 -11.759 1.00 0.00 ATOM 1171 CG LEU A 151 14.379 6.943 -10.403 1.00 0.00 ATOM 1172 CD1 LEU A 151 13.444 6.541 -9.265 1.00 0.00 ATOM 1173 CD2 LEU A 151 15.636 6.086 -10.403 1.00 0.00 ATOM 1174 O LEU A 151 12.080 9.401 -10.476 1.00 0.00 ATOM 1175 C LEU A 151 12.482 8.980 -11.566 1.00 0.00 ATOM 1176 N ALA A 152 13.050 9.764 -12.480 1.00 0.00 ATOM 1177 CA ALA A 152 13.238 11.188 -12.249 1.00 0.00 ATOM 1178 CB ALA A 152 13.949 11.828 -13.446 1.00 0.00 ATOM 1179 O ALA A 152 11.737 12.670 -11.110 1.00 0.00 ATOM 1180 C ALA A 152 11.888 11.854 -12.021 1.00 0.00 ATOM 1181 N TYR A 153 10.902 11.482 -12.827 1.00 0.00 ATOM 1182 CA TYR A 153 9.554 12.049 -12.714 1.00 0.00 ATOM 1183 CB TYR A 153 8.691 11.545 -13.878 1.00 0.00 ATOM 1184 CG TYR A 153 7.301 12.135 -13.891 1.00 0.00 ATOM 1185 CD1 TYR A 153 6.309 11.665 -13.029 1.00 0.00 ATOM 1186 CD2 TYR A 153 6.990 13.194 -14.741 1.00 0.00 ATOM 1187 CE1 TYR A 153 5.038 12.241 -13.014 1.00 0.00 ATOM 1188 CE2 TYR A 153 5.727 13.777 -14.732 1.00 0.00 ATOM 1189 CZ TYR A 153 4.759 13.298 -13.868 1.00 0.00 ATOM 1190 OH TYR A 153 3.522 13.896 -13.854 1.00 0.00 ATOM 1191 O TYR A 153 8.393 12.406 -10.633 1.00 0.00 ATOM 1192 C TYR A 153 8.985 11.607 -11.365 1.00 0.00 ATOM 1193 N LYS A 154 9.184 10.348 -11.072 1.00 0.00 ATOM 1194 CA LYS A 154 8.697 9.806 -9.810 1.00 0.00 ATOM 1195 CB LYS A 154 8.998 8.297 -9.783 1.00 0.00 ATOM 1196 CG LYS A 154 8.093 7.465 -10.683 1.00 0.00 ATOM 1197 CD LYS A 154 8.219 5.978 -10.368 1.00 0.00 ATOM 1198 CE LYS A 154 7.145 5.157 -11.076 1.00 0.00 ATOM 1199 NZ LYS A 154 7.311 5.155 -12.554 1.00 0.00 ATOM 1200 O LYS A 154 8.774 10.677 -7.585 1.00 0.00 ATOM 1201 C LYS A 154 9.382 10.496 -8.634 1.00 0.00 ATOM 1202 N GLU A 155 10.658 10.835 -8.759 1.00 0.00 ATOM 1203 CA GLU A 155 11.356 11.477 -7.649 1.00 0.00 ATOM 1204 CB GLU A 155 12.821 11.737 -8.020 1.00 0.00 ATOM 1205 CG GLU A 155 13.633 12.456 -6.949 1.00 0.00 ATOM 1206 CD GLU A 155 15.075 12.722 -7.387 1.00 0.00 ATOM 1207 OE1 GLU A 155 15.812 11.753 -7.677 1.00 0.00 ATOM 1208 OE2 GLU A 155 15.473 13.903 -7.448 1.00 0.00 ATOM 1209 O GLU A 155 10.401 13.128 -6.169 1.00 0.00 ATOM 1210 C GLU A 155 10.636 12.792 -7.332 1.00 0.00 ATOM 1211 N GLU A 156 10.278 13.535 -8.370 1.00 0.00 ATOM 1212 CA GLU A 156 9.590 14.796 -8.182 1.00 0.00 ATOM 1213 CB GLU A 156 9.585 15.574 -9.499 1.00 0.00 ATOM 1214 CG GLU A 156 8.838 16.881 -9.462 1.00 0.00 ATOM 1215 CD GLU A 156 9.394 17.871 -8.446 1.00 0.00 ATOM 1216 OE1 GLU A 156 10.466 17.629 -7.850 1.00 0.00 ATOM 1217 OE2 GLU A 156 8.742 18.911 -8.253 1.00 0.00 ATOM 1218 O GLU A 156 7.666 15.442 -6.896 1.00 0.00 ATOM 1219 C GLU A 156 8.161 14.606 -7.648 1.00 0.00 ATOM 1220 N ALA A 157 7.505 13.509 -8.031 1.00 0.00 ATOM 1221 CA ALA A 157 6.139 13.249 -7.570 1.00 0.00 ATOM 1222 CB ALA A 157 5.535 12.069 -8.334 1.00 0.00 ATOM 1223 O ALA A 157 5.266 13.317 -5.331 1.00 0.00 ATOM 1224 C ALA A 157 6.176 12.949 -6.080 1.00 0.00 ENDMDL EXPDTA 2hboA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hboA ATOM 1 N ALA 12 4.112 -20.979 -1.028 1.00 0.00 ATOM 2 CA ALA 12 4.492 -21.974 -2.093 1.00 0.00 ATOM 3 CB ALA 12 3.437 -23.066 -2.203 1.00 0.00 ATOM 4 O ALA 12 3.874 -21.450 -4.361 1.00 0.00 ATOM 5 C ALA 12 4.715 -21.334 -3.457 1.00 0.00 ATOM 6 N ILE 13 5.865 -20.687 -3.617 1.00 0.00 ATOM 7 CA ILE 13 6.217 -20.048 -4.887 1.00 0.00 ATOM 8 CB ILE 13 7.460 -19.163 -4.757 1.00 0.00 ATOM 9 CG1 ILE 13 7.227 -18.042 -3.738 1.00 0.00 ATOM 10 CG2 ILE 13 7.798 -18.566 -6.079 1.00 0.00 ATOM 11 CD1 ILE 13 8.493 -17.290 -3.360 1.00 0.00 ATOM 12 O ILE 13 7.372 -21.978 -5.677 1.00 0.00 ATOM 13 C ILE 13 6.520 -21.121 -5.916 1.00 0.00 ATOM 14 N PRO 14 5.837 -21.086 -7.073 1.00 0.00 ATOM 15 CA PRO 14 6.130 -21.985 -8.180 1.00 0.00 ATOM 16 CB PRO 14 5.472 -21.276 -9.350 1.00 0.00 ATOM 17 CG PRO 14 4.233 -20.739 -8.709 1.00 0.00 ATOM 18 CD PRO 14 4.698 -20.209 -7.394 1.00 0.00 ATOM 19 O PRO 14 8.396 -21.265 -8.321 1.00 0.00 ATOM 20 C PRO 14 7.613 -22.193 -8.462 1.00 0.00 ATOM 21 N GLU 15 7.987 -23.404 -8.862 1.00 0.00 ATOM 22 CA GLU 15 9.396 -23.766 -8.952 1.00 0.00 ATOM 23 CB GLU 15 9.566 -25.225 -9.398 1.00 0.00 ATOM 24 CG GLU 15 10.923 -25.820 -9.057 1.00 0.00 ATOM 25 O GLU 15 9.558 -22.469 -10.969 1.00 0.00 ATOM 26 C GLU 15 10.111 -22.828 -9.925 1.00 0.00 ATOM 27 N GLY 16 11.318 -22.408 -9.556 1.00 0.00 ATOM 28 CA GLY 16 12.126 -21.527 -10.386 1.00 0.00 ATOM 29 O GLY 16 12.777 -19.245 -10.624 1.00 0.00 ATOM 30 C GLY 16 12.006 -20.044 -10.077 1.00 0.00 ATOM 31 N PHE 17 11.051 -19.666 -9.215 1.00 0.00 ATOM 32 CA PHE 17 10.800 -18.248 -8.917 1.00 0.00 ATOM 33 CB PHE 17 9.332 -17.891 -9.155 1.00 0.00 ATOM 34 CG PHE 17 8.960 -17.815 -10.603 1.00 0.00 ATOM 35 CD1 PHE 17 9.135 -16.649 -11.308 1.00 0.00 ATOM 36 CD2 PHE 17 8.486 -18.939 -11.267 1.00 0.00 ATOM 37 CE1 PHE 17 8.828 -16.588 -12.634 1.00 0.00 ATOM 38 CE2 PHE 17 8.160 -18.890 -12.605 1.00 0.00 ATOM 39 CZ PHE 17 8.326 -17.726 -13.294 1.00 0.00 ATOM 40 O PHE 17 11.011 -18.700 -6.563 1.00 0.00 ATOM 41 C PHE 17 11.164 -17.890 -7.482 1.00 0.00 ATOM 42 N SER 18 11.627 -16.659 -7.300 1.00 0.00 ATOM 43 CA SER 18 11.838 -16.111 -5.965 1.00 0.00 ATOM 44 CB SER 18 13.320 -16.129 -5.607 1.00 0.00 ATOM 45 OG SER 18 14.030 -15.244 -6.439 1.00 0.00 ATOM 46 O SER 18 11.172 -13.980 -6.925 1.00 0.00 ATOM 47 C SER 18 11.276 -14.682 -5.900 1.00 0.00 ATOM 48 N GLN 19 10.884 -14.275 -4.698 1.00 0.00 ATOM 49 CA GLN 19 10.220 -13.004 -4.530 1.00 0.00 ATOM 50 CB GLN 19 9.583 -12.886 -3.127 1.00 0.00 ATOM 51 CG GLN 19 8.668 -11.665 -2.986 1.00 0.00 ATOM 52 CD GLN 19 7.597 -11.811 -1.895 1.00 0.00 ATOM 53 OE1 GLN 19 7.049 -12.893 -1.666 1.00 0.00 ATOM 54 NE2 GLN 19 7.279 -10.701 -1.242 1.00 0.00 ATOM 55 O GLN 19 12.365 -11.912 -4.316 1.00 0.00 ATOM 56 C GLN 19 11.214 -11.871 -4.782 1.00 0.00 ATOM 57 N LEU 20 10.769 -10.869 -5.527 1.00 0.00 ATOM 58 CA LEU 20 11.505 -9.610 -5.645 1.00 0.00 ATOM 59 CB LEU 20 11.076 -8.818 -6.871 1.00 0.00 ATOM 60 CG LEU 20 11.661 -9.237 -8.193 1.00 0.00 ATOM 61 CD1 LEU 20 11.012 -8.468 -9.373 1.00 0.00 ATOM 62 CD2 LEU 20 13.162 -9.004 -8.178 1.00 0.00 ATOM 63 O LEU 20 10.041 -8.823 -3.942 1.00 0.00 ATOM 64 C LEU 20 11.163 -8.776 -4.446 1.00 0.00 ATOM 65 N ASN 21 12.115 -7.994 -3.997 1.00 0.00 ATOM 66 CA ASN 21 11.905 -7.215 -2.808 1.00 0.00 ATOM 67 CB ASN 21 12.769 -7.801 -1.688 1.00 0.00 ATOM 68 CG ASN 21 12.292 -9.196 -1.228 1.00 0.00 ATOM 69 ND2 ASN 21 13.237 -10.036 -0.799 1.00 0.00 ATOM 70 OD1 ASN 21 11.091 -9.496 -1.229 1.00 0.00 ATOM 71 O ASN 21 13.438 -5.488 -3.420 1.00 0.00 ATOM 72 C ASN 21 12.279 -5.771 -3.118 1.00 0.00 ATOM 73 N TRP 22 11.296 -4.870 -3.070 1.00 0.00 ATOM 74 CA TRP 22 11.575 -3.435 -3.013 1.00 0.00 ATOM 75 CB TRP 22 10.833 -2.682 -4.103 1.00 0.00 ATOM 76 CG TRP 22 11.154 -3.125 -5.463 1.00 0.00 ATOM 77 CD1 TRP 22 12.216 -2.734 -6.224 1.00 0.00 ATOM 78 CD2 TRP 22 10.404 -4.038 -6.254 1.00 0.00 ATOM 79 CE2 TRP 22 11.062 -4.154 -7.496 1.00 0.00 ATOM 80 CE3 TRP 22 9.236 -4.771 -6.037 1.00 0.00 ATOM 81 NE1 TRP 22 12.164 -3.345 -7.455 1.00 0.00 ATOM 82 CZ2 TRP 22 10.597 -4.978 -8.513 1.00 0.00 ATOM 83 CZ3 TRP 22 8.763 -5.578 -7.052 1.00 0.00 ATOM 84 CH2 TRP 22 9.455 -5.687 -8.273 1.00 0.00 ATOM 85 O TRP 22 10.330 -3.385 -0.944 1.00 0.00 ATOM 86 C TRP 22 11.188 -2.858 -1.654 1.00 0.00 ATOM 87 N SER 23 11.851 -1.782 -1.282 1.00 0.00 ATOM 88 CA SER 23 11.564 -1.119 -0.028 1.00 0.00 ATOM 89 CB SER 23 12.871 -0.628 0.586 1.00 0.00 ATOM 90 O SER 23 9.921 0.482 0.673 1.00 0.00 ATOM 91 C SER 23 10.606 0.058 -0.242 1.00 0.00 ATOM 92 N ARG 24 10.569 0.580 -1.466 1.00 0.00 ATOM 93 CA ARG 24 9.798 1.767 -1.764 1.00 0.00 ATOM 94 CB ARG 24 10.586 3.022 -1.379 1.00 0.00 ATOM 95 CG ARG 24 11.860 3.257 -2.191 1.00 0.00 ATOM 96 CD ARG 24 12.725 4.375 -1.556 1.00 0.00 ATOM 97 O ARG 24 9.938 0.942 -4.013 1.00 0.00 ATOM 98 C ARG 24 9.481 1.795 -3.248 1.00 0.00 ATOM 99 N GLY 25 8.711 2.794 -3.653 1.00 0.00 ATOM 100 CA GLY 25 8.480 3.009 -5.077 1.00 0.00 ATOM 101 O GLY 25 6.658 1.490 -4.856 1.00 0.00 ATOM 102 C GLY 25 7.347 2.165 -5.605 1.00 0.00 ATOM 103 N PHE 26 7.152 2.225 -6.910 1.00 0.00 ATOM 104 CA PHE 26 5.992 1.595 -7.553 1.00 0.00 ATOM 105 CB PHE 26 5.827 2.169 -8.959 1.00 0.00 ATOM 106 CG PHE 26 4.522 1.773 -9.640 1.00 0.00 ATOM 107 CD1 PHE 26 3.303 2.107 -9.069 1.00 0.00 ATOM 108 CD2 PHE 26 4.532 1.093 -10.851 1.00 0.00 ATOM 109 CE1 PHE 26 2.077 1.753 -9.695 1.00 0.00 ATOM 110 CE2 PHE 26 3.307 0.726 -11.476 1.00 0.00 ATOM 111 CZ PHE 26 2.115 1.053 -10.893 1.00 0.00 ATOM 112 O PHE 26 4.958 -0.544 -7.489 1.00 0.00 ATOM 113 C PHE 26 6.005 0.063 -7.606 1.00 0.00 ATOM 114 N GLY 27 7.166 -0.577 -7.755 1.00 0.00 ATOM 115 CA GLY 27 7.221 -2.049 -7.694 1.00 0.00 ATOM 116 O GLY 27 5.970 -3.703 -6.439 1.00 0.00 ATOM 117 C GLY 27 6.648 -2.660 -6.421 1.00 0.00 ATOM 118 N ARG 28 6.908 -2.014 -5.304 1.00 0.00 ATOM 119 CA ARG 28 6.350 -2.460 -4.052 1.00 0.00 ATOM 120 CB ARG 28 7.039 -1.771 -2.877 1.00 0.00 ATOM 121 CG ARG 28 6.352 -2.087 -1.568 1.00 0.00 ATOM 122 CD ARG 28 7.135 -1.742 -0.311 1.00 0.00 ATOM 123 NE ARG 28 6.499 -2.396 0.844 1.00 0.00 ATOM 124 CZ ARG 28 6.602 -3.703 1.145 1.00 0.00 ATOM 125 NH1 ARG 28 7.354 -4.531 0.411 1.00 0.00 ATOM 126 NH2 ARG 28 5.954 -4.189 2.197 1.00 0.00 ATOM 127 O ARG 28 4.118 -2.976 -3.317 1.00 0.00 ATOM 128 C ARG 28 4.849 -2.211 -3.959 1.00 0.00 ATOM 129 N GLN 29 4.405 -1.090 -4.518 1.00 0.00 ATOM 130 CA GLN 29 2.979 -0.805 -4.570 1.00 0.00 ATOM 131 CB GLN 29 2.696 0.482 -5.351 1.00 0.00 ATOM 132 CG GLN 29 2.246 1.685 -4.659 1.00 0.00 ATOM 133 CD GLN 29 1.948 1.541 -3.187 1.00 0.00 ATOM 134 OE1 GLN 29 2.850 1.321 -2.385 1.00 0.00 ATOM 135 NE2 GLN 29 0.701 1.733 -2.818 1.00 0.00 ATOM 136 O GLN 29 1.141 -2.293 -4.901 1.00 0.00 ATOM 137 C GLN 29 2.255 -1.937 -5.277 1.00 0.00 ATOM 138 N ILE 30 2.850 -2.484 -6.331 1.00 0.00 ATOM 139 CA ILE 30 2.107 -3.468 -7.143 1.00 0.00 ATOM 140 CB ILE 30 2.103 -3.109 -8.630 1.00 0.00 ATOM 141 CG1 ILE 30 3.492 -3.277 -9.264 1.00 0.00 ATOM 142 CG2 ILE 30 1.546 -1.691 -8.806 1.00 0.00 ATOM 143 CD1 ILE 30 3.437 -3.089 -10.793 1.00 0.00 ATOM 144 O ILE 30 2.073 -5.841 -7.548 1.00 0.00 ATOM 145 C ILE 30 2.561 -4.909 -6.924 1.00 0.00 ATOM 146 N GLY 31 3.474 -5.095 -5.990 1.00 0.00 ATOM 147 CA GLY 31 3.893 -6.433 -5.643 1.00 0.00 ATOM 148 O GLY 31 1.722 -6.661 -4.611 1.00 0.00 ATOM 149 C GLY 31 2.841 -7.175 -4.846 1.00 0.00 ATOM 150 N PRO 32 3.206 -8.377 -4.372 1.00 0.00 ATOM 151 CA PRO 32 4.510 -9.032 -4.571 1.00 0.00 ATOM 152 CB PRO 32 4.442 -10.266 -3.642 1.00 0.00 ATOM 153 CG PRO 32 3.272 -10.021 -2.741 1.00 0.00 ATOM 154 CD PRO 32 2.321 -9.163 -3.494 1.00 0.00 ATOM 155 O PRO 32 3.812 -10.012 -6.625 1.00 0.00 ATOM 156 C PRO 32 4.742 -9.501 -5.986 1.00 0.00 ATOM 157 N LEU 33 5.943 -9.259 -6.495 1.00 0.00 ATOM 158 CA LEU 33 6.370 -9.809 -7.781 1.00 0.00 ATOM 159 CB LEU 33 6.893 -8.710 -8.717 1.00 0.00 ATOM 160 CG LEU 33 6.020 -7.469 -8.878 1.00 0.00 ATOM 161 CD1 LEU 33 6.633 -6.530 -9.939 1.00 0.00 ATOM 162 CD2 LEU 33 4.616 -7.836 -9.245 1.00 0.00 ATOM 163 O LEU 33 8.203 -10.749 -6.548 1.00 0.00 ATOM 164 C LEU 33 7.493 -10.813 -7.562 1.00 0.00 ATOM 165 N PHE 34 7.642 -11.723 -8.522 1.00 0.00 ATOM 166 CA PHE 34 8.653 -12.764 -8.455 1.00 0.00 ATOM 167 CB PHE 34 8.008 -14.118 -8.189 1.00 0.00 ATOM 168 CG PHE 34 7.115 -14.116 -7.005 1.00 0.00 ATOM 169 CD1 PHE 34 5.854 -13.549 -7.083 1.00 0.00 ATOM 170 CD2 PHE 34 7.520 -14.662 -5.807 1.00 0.00 ATOM 171 CE1 PHE 34 5.020 -13.518 -5.961 1.00 0.00 ATOM 172 CE2 PHE 34 6.691 -14.629 -4.716 1.00 0.00 ATOM 173 CZ PHE 34 5.426 -14.083 -4.818 1.00 0.00 ATOM 174 O PHE 34 8.883 -12.545 -10.828 1.00 0.00 ATOM 175 C PHE 34 9.440 -12.793 -9.732 1.00 0.00 ATOM 176 N GLU 35 10.727 -13.121 -9.613 1.00 0.00 ATOM 177 CA GLU 35 11.619 -13.257 -10.777 1.00 0.00 ATOM 178 CB GLU 35 12.799 -12.274 -10.724 1.00 0.00 ATOM 179 CG GLU 35 13.703 -12.434 -9.488 1.00 0.00 ATOM 180 CD GLU 35 14.948 -11.534 -9.512 1.00 0.00 ATOM 181 OE1 GLU 35 15.321 -11.035 -10.589 1.00 0.00 ATOM 182 OE2 GLU 35 15.549 -11.337 -8.438 1.00 0.00 ATOM 183 O GLU 35 12.353 -15.382 -9.872 1.00 0.00 ATOM 184 C GLU 35 12.132 -14.686 -10.881 1.00 0.00 ATOM 185 N HIS 36 12.317 -15.132 -12.116 1.00 0.00 ATOM 186 CA HIS 36 12.817 -16.461 -12.359 1.00 0.00 ATOM 187 CB HIS 36 12.589 -16.864 -13.818 1.00 0.00 ATOM 188 CG HIS 36 12.713 -18.335 -14.050 1.00 0.00 ATOM 189 CD2 HIS 36 11.767 -19.287 -14.245 1.00 0.00 ATOM 190 ND1 HIS 36 13.931 -18.984 -14.095 1.00 0.00 ATOM 191 CE1 HIS 36 13.727 -20.273 -14.304 1.00 0.00 ATOM 192 NE2 HIS 36 12.422 -20.482 -14.398 1.00 0.00 ATOM 193 O HIS 36 15.023 -15.517 -12.406 1.00 0.00 ATOM 194 C HIS 36 14.313 -16.472 -12.091 1.00 0.00 ATOM 195 N ARG 37 14.781 -17.573 -11.534 1.00 0.00 ATOM 196 CA ARG 37 16.197 -17.775 -11.298 1.00 0.00 ATOM 197 CB ARG 37 16.418 -19.082 -10.527 1.00 0.00 ATOM 198 CG ARG 37 16.096 -20.321 -11.354 1.00 0.00 ATOM 199 CD ARG 37 16.358 -21.643 -10.629 1.00 0.00 ATOM 200 NE ARG 37 15.997 -22.753 -11.521 1.00 0.00 ATOM 201 CZ ARG 37 15.461 -23.912 -11.136 1.00 0.00 ATOM 202 NH1 ARG 37 15.215 -24.164 -9.861 1.00 0.00 ATOM 203 NH2 ARG 37 15.164 -24.833 -12.047 1.00 0.00 ATOM 204 O ARG 37 16.405 -17.992 -13.697 1.00 0.00 ATOM 205 C ARG 37 16.969 -17.809 -12.612 1.00 0.00 ATOM 206 N GLU 38 18.284 -17.658 -12.478 1.00 0.00 ATOM 207 CA GLU 38 19.224 -17.676 -13.594 1.00 0.00 ATOM 208 CB GLU 38 20.650 -17.449 -13.068 1.00 0.00 ATOM 209 CG GLU 38 21.620 -17.070 -14.144 1.00 0.00 ATOM 210 O GLU 38 18.827 -20.034 -13.818 1.00 0.00 ATOM 211 C GLU 38 19.157 -18.991 -14.376 1.00 0.00 ATOM 212 N GLY 39 19.470 -18.921 -15.666 1.00 0.00 ATOM 213 CA GLY 39 19.356 -20.063 -16.576 1.00 0.00 ATOM 214 O GLY 39 17.548 -18.883 -17.594 1.00 0.00 ATOM 215 C GLY 39 18.106 -19.972 -17.433 1.00 0.00 ATOM 216 N PRO 40 17.655 -21.118 -17.989 1.00 0.00 ATOM 217 CA PRO 40 16.396 -21.102 -18.733 1.00 0.00 ATOM 218 CB PRO 40 16.128 -22.591 -19.027 1.00 0.00 ATOM 219 CG PRO 40 17.515 -23.218 -19.047 1.00 0.00 ATOM 220 CD PRO 40 18.281 -22.458 -17.980 1.00 0.00 ATOM 221 O PRO 40 15.004 -20.763 -16.812 1.00 0.00 ATOM 222 C PRO 40 15.238 -20.452 -17.981 1.00 0.00 ATOM 223 N GLY 41 14.540 -19.546 -18.658 1.00 0.00 ATOM 224 CA GLY 41 13.360 -18.871 -18.113 1.00 0.00 ATOM 225 O GLY 41 12.779 -17.001 -16.752 1.00 0.00 ATOM 226 C GLY 41 13.691 -17.630 -17.305 1.00 0.00 ATOM 227 N GLN 42 14.988 -17.257 -17.231 1.00 0.00 ATOM 228 CA GLN 42 15.414 -16.107 -16.419 1.00 0.00 ATOM 229 CB GLN 42 16.927 -15.834 -16.495 1.00 0.00 ATOM 230 CG GLN 42 17.280 -14.800 -15.435 1.00 0.00 ATOM 231 CD GLN 42 18.748 -14.546 -15.246 1.00 0.00 ATOM 232 OE1 GLN 42 19.149 -14.133 -14.177 1.00 0.00 ATOM 233 NE2 GLN 42 19.543 -14.771 -16.279 1.00 0.00 ATOM 234 O GLN 42 14.423 -14.012 -15.857 1.00 0.00 ATOM 235 C GLN 42 14.684 -14.817 -16.753 1.00 0.00 ATOM 236 N ALA 43 14.311 -14.647 -18.009 1.00 0.00 ATOM 237 CA ALA 43 13.646 -13.428 -18.470 1.00 0.00 ATOM 238 CB ALA 43 13.630 -13.370 -20.021 1.00 0.00 ATOM 239 O ALA 43 11.641 -12.207 -18.111 1.00 0.00 ATOM 240 C ALA 43 12.229 -13.281 -17.933 1.00 0.00 ATOM 241 N ARG 44 11.703 -14.316 -17.238 1.00 0.00 ATOM 242 CA ARG 44 10.329 -14.316 -16.736 1.00 0.00 ATOM 243 CB ARG 44 9.776 -15.751 -16.635 1.00 0.00 ATOM 244 CG ARG 44 9.586 -16.362 -17.984 1.00 0.00 ATOM 245 CD ARG 44 9.330 -17.846 -17.955 1.00 0.00 ATOM 246 NE ARG 44 9.099 -18.355 -19.314 1.00 0.00 ATOM 247 CZ ARG 44 8.785 -19.615 -19.603 1.00 0.00 ATOM 248 NH1 ARG 44 8.650 -20.504 -18.634 1.00 0.00 ATOM 249 NH2 ARG 44 8.573 -19.975 -20.856 1.00 0.00 ATOM 250 O ARG 44 11.011 -13.833 -14.482 1.00 0.00 ATOM 251 C ARG 44 10.202 -13.638 -15.374 1.00 0.00 ATOM 252 N LEU 45 9.192 -12.794 -15.270 1.00 0.00 ATOM 253 CA LEU 45 8.649 -12.362 -14.016 1.00 0.00 ATOM 254 CB LEU 45 8.444 -10.853 -14.010 1.00 0.00 ATOM 255 CG LEU 45 9.579 -9.856 -13.916 1.00 0.00 ATOM 256 CD1 LEU 45 9.009 -8.452 -13.617 1.00 0.00 ATOM 257 CD2 LEU 45 10.576 -10.262 -12.865 1.00 0.00 ATOM 258 O LEU 45 6.662 -13.520 -14.767 1.00 0.00 ATOM 259 C LEU 45 7.288 -13.036 -13.813 1.00 0.00 ATOM 260 N ALA 46 6.823 -12.991 -12.587 1.00 0.00 ATOM 261 CA ALA 46 5.518 -13.526 -12.202 1.00 0.00 ATOM 262 CB ALA 46 5.615 -14.996 -11.901 1.00 0.00 ATOM 263 O ALA 46 5.645 -12.141 -10.198 1.00 0.00 ATOM 264 C ALA 46 4.941 -12.790 -11.015 1.00 0.00 ATOM 265 N PHE 47 3.631 -12.863 -10.939 1.00 0.00 ATOM 266 CA PHE 47 2.922 -12.449 -9.740 1.00 0.00 ATOM 267 CB PHE 47 2.617 -10.933 -9.765 1.00 0.00 ATOM 268 CG PHE 47 1.410 -10.526 -10.588 1.00 0.00 ATOM 269 CD1 PHE 47 1.500 -10.415 -11.959 1.00 0.00 ATOM 270 CD2 PHE 47 0.182 -10.236 -9.968 1.00 0.00 ATOM 271 CE1 PHE 47 0.422 -10.005 -12.705 1.00 0.00 ATOM 272 CE2 PHE 47 -0.912 -9.831 -10.707 1.00 0.00 ATOM 273 CZ PHE 47 -0.816 -9.746 -12.077 1.00 0.00 ATOM 274 O PHE 47 1.162 -13.965 -10.366 1.00 0.00 ATOM 275 C PHE 47 1.682 -13.308 -9.484 1.00 0.00 ATOM 276 N ARG 48 1.268 -13.347 -8.225 1.00 0.00 ATOM 277 CA ARG 48 -0.009 -13.925 -7.853 1.00 0.00 ATOM 278 CB ARG 48 0.121 -14.658 -6.532 1.00 0.00 ATOM 279 CG ARG 48 -1.155 -15.194 -5.990 1.00 0.00 ATOM 280 CD ARG 48 -0.962 -16.603 -5.523 1.00 0.00 ATOM 281 NE ARG 48 -1.299 -17.514 -6.595 1.00 0.00 ATOM 282 CZ ARG 48 -0.643 -18.624 -6.912 1.00 0.00 ATOM 283 NH1 ARG 48 0.464 -18.993 -6.275 1.00 0.00 ATOM 284 NH2 ARG 48 -1.099 -19.356 -7.911 1.00 0.00 ATOM 285 O ARG 48 -0.793 -11.840 -7.026 1.00 0.00 ATOM 286 C ARG 48 -1.041 -12.808 -7.704 1.00 0.00 ATOM 287 N VAL 49 -2.190 -12.959 -8.345 1.00 0.00 ATOM 288 CA VAL 49 -3.246 -11.964 -8.244 1.00 0.00 ATOM 289 CB VAL 49 -4.386 -12.250 -9.233 1.00 0.00 ATOM 290 CG1 VAL 49 -5.472 -11.161 -9.127 1.00 0.00 ATOM 291 CG2 VAL 49 -3.817 -12.397 -10.667 1.00 0.00 ATOM 292 O VAL 49 -4.316 -12.961 -6.308 1.00 0.00 ATOM 293 C VAL 49 -3.773 -11.959 -6.809 1.00 0.00 ATOM 294 N GLU 50 -3.625 -10.815 -6.163 1.00 0.00 ATOM 295 CA GLU 50 -4.075 -10.617 -4.807 1.00 0.00 ATOM 296 CB GLU 50 -2.895 -10.187 -3.945 1.00 0.00 ATOM 297 CG GLU 50 -1.805 -11.230 -3.847 1.00 0.00 ATOM 298 CD GLU 50 -2.204 -12.428 -3.005 1.00 0.00 ATOM 299 OE1 GLU 50 -3.256 -12.366 -2.330 1.00 0.00 ATOM 300 OE2 GLU 50 -1.459 -13.421 -2.973 1.00 0.00 ATOM 301 O GLU 50 -5.366 -8.880 -5.875 1.00 0.00 ATOM 302 C GLU 50 -5.143 -9.534 -4.840 1.00 0.00 ATOM 303 N GLU 51 -5.800 -9.326 -3.719 1.00 0.00 ATOM 304 CA GLU 51 -6.940 -8.442 -3.703 1.00 0.00 ATOM 305 CB GLU 51 -7.547 -8.374 -2.297 1.00 0.00 ATOM 306 CG GLU 51 -8.796 -7.532 -2.238 1.00 0.00 ATOM 307 O GLU 51 -7.417 -6.388 -4.788 1.00 0.00 ATOM 308 C GLU 51 -6.598 -7.037 -4.173 1.00 0.00 ATOM 309 N HIS 52 -5.390 -6.580 -3.873 1.00 0.00 ATOM 310 CA HIS 52 -4.985 -5.206 -4.197 1.00 0.00 ATOM 311 CB HIS 52 -3.824 -4.721 -3.316 1.00 0.00 ATOM 312 CG HIS 52 -2.649 -5.647 -3.282 1.00 0.00 ATOM 313 CD2 HIS 52 -1.456 -5.596 -3.921 1.00 0.00 ATOM 314 ND1 HIS 52 -2.606 -6.766 -2.477 1.00 0.00 ATOM 315 CE1 HIS 52 -1.452 -7.384 -2.648 1.00 0.00 ATOM 316 NE2 HIS 52 -0.733 -6.694 -3.513 1.00 0.00 ATOM 317 O HIS 52 -4.260 -3.975 -6.096 1.00 0.00 ATOM 318 C HIS 52 -4.623 -5.063 -5.665 1.00 0.00 ATOM 319 N HIS 53 -4.661 -6.172 -6.405 1.00 0.00 ATOM 320 CA HIS 53 -4.478 -6.175 -7.848 1.00 0.00 ATOM 321 CB HIS 53 -3.771 -7.457 -8.232 1.00 0.00 ATOM 322 CG HIS 53 -2.376 -7.537 -7.729 1.00 0.00 ATOM 323 CD2 HIS 53 -1.376 -6.624 -7.733 1.00 0.00 ATOM 324 ND1 HIS 53 -1.867 -8.663 -7.140 1.00 0.00 ATOM 325 CE1 HIS 53 -0.597 -8.453 -6.831 1.00 0.00 ATOM 326 NE2 HIS 53 -0.271 -7.231 -7.206 1.00 0.00 ATOM 327 O HIS 53 -5.774 -5.860 -9.882 1.00 0.00 ATOM 328 C HIS 53 -5.774 -6.103 -8.651 1.00 0.00 ATOM 329 N THR 54 -6.869 -6.335 -7.955 1.00 0.00 ATOM 330 CA THR 54 -8.118 -6.616 -8.589 1.00 0.00 ATOM 331 CB THR 54 -8.922 -7.683 -7.801 1.00 0.00 ATOM 332 CG2 THR 54 -8.095 -8.955 -7.652 1.00 0.00 ATOM 333 OG1 THR 54 -9.267 -7.161 -6.523 1.00 0.00 ATOM 334 O THR 54 -8.669 -4.297 -8.257 1.00 0.00 ATOM 335 C THR 54 -8.962 -5.385 -8.758 1.00 0.00 ATOM 336 N ASN 55 -10.060 -5.617 -9.449 1.00 0.00 ATOM 337 CA ASN 55 -11.039 -4.615 -9.728 1.00 0.00 ATOM 338 CB ASN 55 -11.640 -4.920 -11.104 1.00 0.00 ATOM 339 CG ASN 55 -12.317 -6.308 -11.173 1.00 0.00 ATOM 340 ND2 ASN 55 -12.734 -6.677 -12.369 1.00 0.00 ATOM 341 OD1 ASN 55 -12.457 -7.028 -10.167 1.00 0.00 ATOM 342 O ASN 55 -13.123 -3.930 -8.812 1.00 0.00 ATOM 343 C ASN 55 -12.111 -4.581 -8.635 1.00 0.00 ATOM 344 N GLY 56 -11.861 -5.273 -7.509 1.00 0.00 ATOM 345 CA GLY 56 -12.779 -5.365 -6.363 1.00 0.00 ATOM 346 O GLY 56 -14.686 -6.653 -5.651 1.00 0.00 ATOM 347 C GLY 56 -13.841 -6.446 -6.530 1.00 0.00 ATOM 348 N LEU 57 -13.787 -7.139 -7.664 1.00 0.00 ATOM 349 CA LEU 57 -14.788 -8.117 -8.049 1.00 0.00 ATOM 350 CB LEU 57 -15.581 -7.576 -9.243 1.00 0.00 ATOM 351 CG LEU 57 -16.364 -6.289 -8.952 1.00 0.00 ATOM 352 CD1 LEU 57 -16.949 -5.720 -10.236 1.00 0.00 ATOM 353 CD2 LEU 57 -17.452 -6.540 -7.928 1.00 0.00 ATOM 354 O LEU 57 -14.737 -10.303 -9.074 1.00 0.00 ATOM 355 C LEU 57 -14.139 -9.467 -8.388 1.00 0.00 ATOM 356 N GLY 58 -12.930 -9.681 -7.873 1.00 0.00 ATOM 357 CA GLY 58 -12.249 -10.944 -8.032 1.00 0.00 ATOM 358 O GLY 58 -10.732 -12.075 -9.474 1.00 0.00 ATOM 359 C GLY 58 -11.378 -11.046 -9.276 1.00 0.00 ATOM 360 N ASN 59 -11.344 -10.014 -10.121 1.00 0.00 ATOM 361 CA ASN 59 -10.491 -10.072 -11.327 1.00 0.00 ATOM 362 CB ASN 59 -11.335 -9.956 -12.581 1.00 0.00 ATOM 363 CG ASN 59 -12.217 -11.166 -12.798 1.00 0.00 ATOM 364 ND2 ASN 59 -11.966 -11.892 -13.867 1.00 0.00 ATOM 365 OD1 ASN 59 -13.122 -11.428 -12.014 1.00 0.00 ATOM 366 O ASN 59 -9.548 -7.890 -10.940 1.00 0.00 ATOM 367 C ASN 59 -9.373 -9.033 -11.370 1.00 0.00 ATOM 368 N CYS 60 -8.241 -9.441 -11.934 1.00 0.00 ATOM 369 CA CYS 60 -7.067 -8.593 -12.047 1.00 0.00 ATOM 370 CB CYS 60 -5.875 -9.327 -12.707 1.00 0.00 ATOM 371 SG CYS 60 -4.310 -8.516 -12.397 1.00 0.00 ATOM 372 O CYS 60 -8.053 -7.572 -13.957 1.00 0.00 ATOM 373 C CYS 60 -7.446 -7.410 -12.894 1.00 0.00 ATOM 374 N HIS 61 -7.076 -6.222 -12.434 1.00 0.00 ATOM 375 CA HIS 61 -7.279 -5.011 -13.180 1.00 0.00 ATOM 376 CB HIS 61 -7.011 -3.781 -12.309 1.00 0.00 ATOM 377 CG HIS 61 -7.629 -2.534 -12.846 1.00 0.00 ATOM 378 CD2 HIS 61 -8.797 -1.916 -12.547 1.00 0.00 ATOM 379 ND1 HIS 61 -7.037 -1.782 -13.835 1.00 0.00 ATOM 380 CE1 HIS 61 -7.816 -0.754 -14.126 1.00 0.00 ATOM 381 NE2 HIS 61 -8.896 -0.820 -13.371 1.00 0.00 ATOM 382 O HIS 61 -5.180 -5.357 -14.266 1.00 0.00 ATOM 383 C HIS 61 -6.349 -5.002 -14.373 1.00 0.00 ATOM 384 N GLY 62 -6.881 -4.585 -15.510 1.00 0.00 ATOM 385 CA GLY 62 -6.095 -4.519 -16.745 1.00 0.00 ATOM 386 O GLY 62 -3.903 -3.741 -17.301 1.00 0.00 ATOM 387 C GLY 62 -4.938 -3.565 -16.630 1.00 0.00 ATOM 388 N GLY 63 -5.085 -2.545 -15.766 1.00 0.00 ATOM 389 CA GLY 63 -4.009 -1.580 -15.519 1.00 0.00 ATOM 390 O GLY 63 -1.703 -1.935 -15.072 1.00 0.00 ATOM 391 C GLY 63 -2.855 -2.244 -14.813 1.00 0.00 ATOM 392 N MET 64 -3.159 -3.175 -13.905 1.00 0.00 ATOM 393 CA MET 64 -2.130 -3.992 -13.282 1.00 0.00 ATOM 394 CB MET 64 -2.688 -4.925 -12.169 1.00 0.00 ATOM 395 CG MET 64 -1.633 -5.973 -11.696 1.00 0.00 ATOM 396 SD MET 64 -0.165 -4.863 -10.829 1.00 0.00 ATOM 397 CE MET 64 0.952 -6.381 -10.793 1.00 0.00 ATOM 398 O MET 64 -0.181 -4.826 -14.325 1.00 0.00 ATOM 399 C MET 64 -1.408 -4.814 -14.307 1.00 0.00 ATOM 400 N LEU 65 -2.147 -5.521 -15.161 1.00 0.00 ATOM 401 CA LEU 65 -1.501 -6.339 -16.177 1.00 0.00 ATOM 402 CB LEU 65 -2.510 -7.149 -16.984 1.00 0.00 ATOM 403 CG LEU 65 -3.177 -8.292 -16.203 1.00 0.00 ATOM 404 CD1 LEU 65 -4.290 -8.921 -17.029 1.00 0.00 ATOM 405 CD2 LEU 65 -2.163 -9.340 -15.793 1.00 0.00 ATOM 406 O LEU 65 0.438 -5.976 -17.517 1.00 0.00 ATOM 407 C LEU 65 -0.595 -5.499 -17.113 1.00 0.00 ATOM 408 N MET 66 -0.930 -4.244 -17.376 1.00 0.00 ATOM 409 CA MET 66 -0.073 -3.410 -18.255 1.00 0.00 ATOM 410 CB MET 66 -0.736 -2.086 -18.649 1.00 0.00 ATOM 411 CG MET 66 -2.147 -2.123 -19.055 1.00 0.00 ATOM 412 SD MET 66 -2.344 -2.374 -20.941 1.00 0.00 ATOM 413 CE MET 66 -0.765 -1.593 -21.481 1.00 0.00 ATOM 414 O MET 66 2.270 -2.960 -18.177 1.00 0.00 ATOM 415 C MET 66 1.205 -2.997 -17.552 1.00 0.00 ATOM 416 N SER 67 1.075 -2.618 -16.264 1.00 0.00 ATOM 417 CA SER 67 2.229 -2.296 -15.439 1.00 0.00 ATOM 418 CB SER 67 1.829 -1.912 -14.022 1.00 0.00 ATOM 419 OG SER 67 0.989 -0.787 -13.989 1.00 0.00 ATOM 420 O SER 67 4.360 -3.379 -15.508 1.00 0.00 ATOM 421 C SER 67 3.141 -3.505 -15.359 1.00 0.00 ATOM 422 N PHE 68 2.547 -4.675 -15.129 1.00 0.00 ATOM 423 CA PHE 68 3.319 -5.919 -15.084 1.00 0.00 ATOM 424 CB PHE 68 2.429 -7.100 -14.731 1.00 0.00 ATOM 425 CG PHE 68 3.177 -8.403 -14.672 1.00 0.00 ATOM 426 CD1 PHE 68 4.098 -8.640 -13.637 1.00 0.00 ATOM 427 CD2 PHE 68 3.010 -9.361 -15.660 1.00 0.00 ATOM 428 CE1 PHE 68 4.808 -9.842 -13.586 1.00 0.00 ATOM 429 CE2 PHE 68 3.711 -10.560 -15.615 1.00 0.00 ATOM 430 CZ PHE 68 4.586 -10.800 -14.538 1.00 0.00 ATOM 431 O PHE 68 5.174 -6.577 -16.459 1.00 0.00 ATOM 432 C PHE 68 4.007 -6.189 -16.428 1.00 0.00 ATOM 433 N ALA 69 3.300 -6.003 -17.532 1.00 0.00 ATOM 434 CA ALA 69 3.949 -6.181 -18.857 1.00 0.00 ATOM 435 CB ALA 69 2.950 -6.053 -19.998 1.00 0.00 ATOM 436 O ALA 69 6.168 -5.614 -19.679 1.00 0.00 ATOM 437 C ALA 69 5.144 -5.235 -19.075 1.00 0.00 ATOM 438 N ASP 70 4.981 -3.989 -18.659 1.00 0.00 ATOM 439 CA ASP 70 6.047 -2.999 -18.754 1.00 0.00 ATOM 440 CB ASP 70 5.606 -1.683 -18.074 1.00 0.00 ATOM 441 CG ASP 70 6.594 -0.569 -18.317 1.00 0.00 ATOM 442 OD1 ASP 70 6.880 -0.281 -19.493 1.00 0.00 ATOM 443 OD2 ASP 70 7.153 -0.044 -17.356 1.00 0.00 ATOM 444 O ASP 70 8.404 -3.582 -18.692 1.00 0.00 ATOM 445 C ASP 70 7.329 -3.539 -18.073 1.00 0.00 ATOM 446 N MET 71 7.193 -3.973 -16.825 1.00 0.00 ATOM 447 CA MET 71 8.331 -4.484 -16.045 1.00 0.00 ATOM 448 CB MET 71 7.952 -4.586 -14.562 1.00 0.00 ATOM 449 CG MET 71 7.505 -3.258 -13.945 1.00 0.00 ATOM 450 SD MET 71 6.905 -3.441 -12.107 1.00 0.00 ATOM 451 CE MET 71 5.537 -4.707 -12.394 1.00 0.00 ATOM 452 O MET 71 10.045 -6.054 -16.768 1.00 0.00 ATOM 453 C MET 71 8.824 -5.847 -16.574 1.00 0.00 ATOM 454 N ALA 72 7.893 -6.768 -16.840 1.00 0.00 ATOM 455 CA ALA 72 8.260 -8.070 -17.397 1.00 0.00 ATOM 456 CB ALA 72 7.035 -8.952 -17.520 1.00 0.00 ATOM 457 O ALA 72 10.043 -8.669 -18.888 1.00 0.00 ATOM 458 C ALA 72 9.025 -7.975 -18.732 1.00 0.00 ATOM 459 N TRP 73 8.549 -7.150 -19.680 1.00 0.00 ATOM 460 CA TRP 73 9.151 -7.049 -20.982 1.00 0.00 ATOM 461 CB TRP 73 8.155 -6.572 -22.086 1.00 0.00 ATOM 462 CG TRP 73 6.887 -7.381 -22.151 1.00 0.00 ATOM 463 CD1 TRP 73 6.653 -8.587 -21.534 1.00 0.00 ATOM 464 CD2 TRP 73 5.672 -7.040 -22.835 1.00 0.00 ATOM 465 CE2 TRP 73 4.752 -8.092 -22.587 1.00 0.00 ATOM 466 CE3 TRP 73 5.262 -5.946 -23.614 1.00 0.00 ATOM 467 NE1 TRP 73 5.385 -9.012 -21.788 1.00 0.00 ATOM 468 CZ2 TRP 73 3.449 -8.080 -23.082 1.00 0.00 ATOM 469 CZ3 TRP 73 3.951 -5.943 -24.145 1.00 0.00 ATOM 470 CH2 TRP 73 3.076 -7.019 -23.890 1.00 0.00 ATOM 471 O TRP 73 11.451 -6.610 -21.538 1.00 0.00 ATOM 472 C TRP 73 10.461 -6.221 -20.953 1.00 0.00 ATOM 473 N GLY 74 10.485 -5.125 -20.212 1.00 0.00 ATOM 474 CA GLY 74 11.748 -4.409 -19.993 1.00 0.00 ATOM 475 O GLY 74 14.002 -4.823 -19.410 1.00 0.00 ATOM 476 C GLY 74 12.843 -5.165 -19.253 1.00 0.00 ATOM 477 N ARG 75 12.507 -6.172 -18.452 1.00 0.00 ATOM 478 CA ARG 75 13.485 -7.023 -17.773 1.00 0.00 ATOM 479 CB ARG 75 12.802 -8.256 -17.178 1.00 0.00 ATOM 480 CG ARG 75 13.706 -9.245 -16.443 1.00 0.00 ATOM 481 CD ARG 75 12.884 -10.235 -15.605 1.00 0.00 ATOM 482 NE ARG 75 13.661 -11.327 -15.012 1.00 0.00 ATOM 483 CZ ARG 75 14.368 -11.248 -13.881 1.00 0.00 ATOM 484 NH1 ARG 75 14.452 -10.120 -13.188 1.00 0.00 ATOM 485 NH2 ARG 75 15.011 -12.313 -13.437 1.00 0.00 ATOM 486 O ARG 75 15.774 -7.620 -18.308 1.00 0.00 ATOM 487 C ARG 75 14.620 -7.480 -18.734 1.00 0.00 ATOM 488 N ILE 76 14.268 -7.754 -19.990 1.00 0.00 ATOM 489 CA ILE 76 15.243 -8.045 -21.061 1.00 0.00 ATOM 490 CB ILE 76 14.555 -7.913 -22.480 1.00 0.00 ATOM 491 CG1 ILE 76 13.568 -9.039 -22.690 1.00 0.00 ATOM 492 CG2 ILE 76 15.562 -7.903 -23.615 1.00 0.00 ATOM 493 CD1 ILE 76 14.103 -10.408 -22.324 1.00 0.00 ATOM 494 O ILE 76 17.624 -7.649 -20.995 1.00 0.00 ATOM 495 C ILE 76 16.486 -7.152 -21.028 1.00 0.00 ATOM 496 N ILE 77 16.258 -5.845 -21.021 1.00 0.00 ATOM 497 CA ILE 77 17.318 -4.841 -21.078 1.00 0.00 ATOM 498 CB ILE 77 16.766 -3.422 -21.227 1.00 0.00 ATOM 499 CG1 ILE 77 16.150 -3.219 -22.626 1.00 0.00 ATOM 500 CG2 ILE 77 17.862 -2.391 -21.064 1.00 0.00 ATOM 501 CD1 ILE 77 14.771 -3.827 -22.831 1.00 0.00 ATOM 502 O ILE 77 19.381 -4.809 -19.858 1.00 0.00 ATOM 503 C ILE 77 18.150 -4.884 -19.811 1.00 0.00 ATOM 504 N SER 78 17.482 -4.985 -18.667 1.00 0.00 ATOM 505 CA SER 78 18.214 -5.142 -17.425 1.00 0.00 ATOM 506 CB SER 78 17.253 -5.285 -16.255 1.00 0.00 ATOM 507 OG SER 78 16.469 -4.131 -16.115 1.00 0.00 ATOM 508 O SER 78 20.359 -6.244 -17.061 1.00 0.00 ATOM 509 C SER 78 19.175 -6.337 -17.463 1.00 0.00 ATOM 510 N LEU 79 18.653 -7.472 -17.904 1.00 0.00 ATOM 511 CA LEU 79 19.436 -8.699 -17.903 1.00 0.00 ATOM 512 CB LEU 79 18.559 -9.920 -18.197 1.00 0.00 ATOM 513 CG LEU 79 17.546 -10.331 -17.118 1.00 0.00 ATOM 514 CD1 LEU 79 16.764 -11.564 -17.615 1.00 0.00 ATOM 515 CD2 LEU 79 18.166 -10.586 -15.783 1.00 0.00 ATOM 516 O LEU 79 21.715 -8.981 -18.546 1.00 0.00 ATOM 517 C LEU 79 20.596 -8.616 -18.892 1.00 0.00 ATOM 518 N GLN 80 20.305 -8.167 -20.098 1.00 0.00 ATOM 519 CA GLN 80 21.284 -8.113 -21.196 1.00 0.00 ATOM 520 CB GLN 80 20.623 -7.678 -22.501 1.00 0.00 ATOM 521 CG GLN 80 19.868 -8.793 -23.285 1.00 0.00 ATOM 522 CD GLN 80 20.701 -9.388 -24.397 1.00 0.00 ATOM 523 OE1 GLN 80 21.521 -8.703 -25.003 1.00 0.00 ATOM 524 NE2 GLN 80 20.510 -10.663 -24.653 1.00 0.00 ATOM 525 O GLN 80 23.574 -7.357 -21.230 1.00 0.00 ATOM 526 C GLN 80 22.417 -7.117 -20.888 1.00 0.00 ATOM 527 N LYS 81 22.057 -5.985 -20.290 1.00 0.00 ATOM 528 CA LYS 81 22.931 -4.804 -20.230 1.00 0.00 ATOM 529 CB LYS 81 22.288 -3.670 -21.006 1.00 0.00 ATOM 530 CG LYS 81 21.869 -4.017 -22.402 1.00 0.00 ATOM 531 CD LYS 81 22.969 -4.572 -23.217 1.00 0.00 ATOM 532 CE LYS 81 23.873 -3.517 -23.739 1.00 0.00 ATOM 533 NZ LYS 81 24.772 -4.104 -24.762 1.00 0.00 ATOM 534 O LYS 81 24.167 -3.450 -18.731 1.00 0.00 ATOM 535 C LYS 81 23.202 -4.204 -18.874 1.00 0.00 ATOM 536 N SER 82 22.325 -4.451 -17.913 1.00 0.00 ATOM 537 CA SER 82 22.378 -3.717 -16.640 1.00 0.00 ATOM 538 CB SER 82 23.550 -4.213 -15.792 1.00 0.00 ATOM 539 OG SER 82 23.551 -5.628 -15.718 1.00 0.00 ATOM 540 O SER 82 23.369 -1.523 -16.393 1.00 0.00 ATOM 541 C SER 82 22.497 -2.200 -16.928 1.00 0.00 ATOM 542 N TYR 83 21.653 -1.707 -17.835 1.00 0.00 ATOM 543 CA TYR 83 21.428 -0.289 -18.012 1.00 0.00 ATOM 544 CB TYR 83 21.357 0.105 -19.501 1.00 0.00 ATOM 545 CG TYR 83 22.586 -0.182 -20.324 1.00 0.00 ATOM 546 CD1 TYR 83 23.849 -0.307 -19.747 1.00 0.00 ATOM 547 CD2 TYR 83 22.487 -0.320 -21.719 1.00 0.00 ATOM 548 CE1 TYR 83 24.987 -0.560 -20.532 1.00 0.00 ATOM 549 CE2 TYR 83 23.629 -0.563 -22.514 1.00 0.00 ATOM 550 CZ TYR 83 24.866 -0.697 -21.906 1.00 0.00 ATOM 551 OH TYR 83 25.980 -0.954 -22.689 1.00 0.00 ATOM 552 O TYR 83 19.139 -0.707 -17.339 1.00 0.00 ATOM 553 C TYR 83 20.105 0.094 -17.376 1.00 0.00 ATOM 554 N SER 84 20.056 1.331 -16.893 1.00 0.00 ATOM 555 CA SER 84 18.791 1.980 -16.630 1.00 0.00 ATOM 556 CB SER 84 19.001 3.339 -15.986 1.00 0.00 ATOM 557 OG SER 84 19.811 4.148 -16.810 1.00 0.00 ATOM 558 O SER 84 18.751 2.285 -19.016 1.00 0.00 ATOM 559 C SER 84 18.093 2.133 -17.975 1.00 0.00 ATOM 560 N TRP 85 16.769 2.078 -17.955 1.00 0.00 ATOM 561 CA TRP 85 15.983 2.256 -19.178 1.00 0.00 ATOM 562 CB TRP 85 15.746 0.922 -19.898 1.00 0.00 ATOM 563 CG TRP 85 15.232 -0.176 -19.013 1.00 0.00 ATOM 564 CD1 TRP 85 15.978 -1.114 -18.387 1.00 0.00 ATOM 565 CD2 TRP 85 13.862 -0.451 -18.664 1.00 0.00 ATOM 566 CE2 TRP 85 13.871 -1.593 -17.840 1.00 0.00 ATOM 567 CE3 TRP 85 12.622 0.137 -18.996 1.00 0.00 ATOM 568 NE1 TRP 85 15.178 -1.968 -17.692 1.00 0.00 ATOM 569 CZ2 TRP 85 12.693 -2.151 -17.306 1.00 0.00 ATOM 570 CZ3 TRP 85 11.426 -0.433 -18.453 1.00 0.00 ATOM 571 CH2 TRP 85 11.491 -1.556 -17.628 1.00 0.00 ATOM 572 O TRP 85 14.162 2.870 -17.764 1.00 0.00 ATOM 573 C TRP 85 14.629 2.886 -18.896 1.00 0.00 ATOM 574 N VAL 86 13.996 3.344 -19.968 1.00 0.00 ATOM 575 CA VAL 86 12.739 4.047 -19.925 1.00 0.00 ATOM 576 CB VAL 86 12.962 5.583 -19.972 1.00 0.00 ATOM 577 CG1 VAL 86 13.407 6.062 -21.305 1.00 0.00 ATOM 578 CG2 VAL 86 11.723 6.371 -19.504 1.00 0.00 ATOM 579 O VAL 86 12.389 3.291 -22.178 1.00 0.00 ATOM 580 C VAL 86 11.888 3.513 -21.082 1.00 0.00 ATOM 581 N THR 87 10.623 3.230 -20.811 1.00 0.00 ATOM 582 CA THR 87 9.635 2.917 -21.863 1.00 0.00 ATOM 583 CB THR 87 8.287 2.457 -21.221 1.00 0.00 ATOM 584 CG2 THR 87 7.493 1.707 -22.183 1.00 0.00 ATOM 585 OG1 THR 87 8.581 1.606 -20.121 1.00 0.00 ATOM 586 O THR 87 9.070 5.197 -22.365 1.00 0.00 ATOM 587 C THR 87 9.366 4.086 -22.804 1.00 0.00 ATOM 588 N VAL 88 9.468 3.830 -24.097 1.00 0.00 ATOM 589 CA VAL 88 9.186 4.783 -25.170 1.00 0.00 ATOM 590 CB VAL 88 10.323 4.690 -26.219 1.00 0.00 ATOM 591 CG1 VAL 88 10.070 5.598 -27.408 1.00 0.00 ATOM 592 CG2 VAL 88 11.662 5.010 -25.551 1.00 0.00 ATOM 593 O VAL 88 7.078 5.388 -26.201 1.00 0.00 ATOM 594 C VAL 88 7.818 4.488 -25.825 1.00 0.00 ATOM 595 N ARG 89 7.510 3.203 -25.964 1.00 0.00 ATOM 596 CA ARG 89 6.236 2.755 -26.503 1.00 0.00 ATOM 597 CB ARG 89 6.323 2.608 -28.046 1.00 0.00 ATOM 598 CG ARG 89 5.201 1.845 -28.736 1.00 0.00 ATOM 599 CD ARG 89 5.354 1.827 -30.218 1.00 0.00 ATOM 600 NE ARG 89 4.927 3.089 -30.796 1.00 0.00 ATOM 601 CZ ARG 89 4.944 3.364 -32.101 1.00 0.00 ATOM 602 NH1 ARG 89 5.438 2.499 -32.975 1.00 0.00 ATOM 603 NH2 ARG 89 4.506 4.541 -32.524 1.00 0.00 ATOM 604 O ARG 89 6.672 0.580 -25.580 1.00 0.00 ATOM 605 C ARG 89 5.836 1.449 -25.840 1.00 0.00 ATOM 606 N LEU 90 4.547 1.301 -25.557 1.00 0.00 ATOM 607 CA LEU 90 4.034 0.044 -25.024 1.00 0.00 ATOM 608 CB LEU 90 3.985 0.039 -23.485 1.00 0.00 ATOM 609 CG LEU 90 3.714 -1.311 -22.814 1.00 0.00 ATOM 610 CD1 LEU 90 4.767 -2.344 -23.188 1.00 0.00 ATOM 611 CD2 LEU 90 3.599 -1.208 -21.291 1.00 0.00 ATOM 612 O LEU 90 1.795 0.697 -25.642 1.00 0.00 ATOM 613 C LEU 90 2.668 -0.186 -25.671 1.00 0.00 ATOM 614 N MET 91 2.521 -1.337 -26.332 1.00 0.00 ATOM 615 CA MET 91 1.247 -1.710 -26.958 1.00 0.00 ATOM 616 CB MET 91 1.379 -1.664 -28.476 1.00 0.00 ATOM 617 CG MET 91 2.027 -0.387 -29.009 1.00 0.00 ATOM 618 SD MET 91 2.145 -0.398 -30.947 1.00 0.00 ATOM 619 CE MET 91 3.265 -1.958 -31.097 1.00 0.00 ATOM 620 O MET 91 1.640 -4.029 -26.592 1.00 0.00 ATOM 621 C MET 91 0.838 -3.096 -26.492 1.00 0.00 ATOM 622 N CYS 92 -0.386 -3.209 -25.954 1.00 0.00 ATOM 623 CA CYS 92 -0.916 -4.444 -25.342 1.00 0.00 ATOM 624 CB CYS 92 -1.016 -4.279 -23.832 1.00 0.00 ATOM 625 SG CYS 92 0.589 -4.219 -22.979 1.00 0.00 ATOM 626 O CYS 92 -3.201 -3.851 -25.760 1.00 0.00 ATOM 627 C CYS 92 -2.331 -4.735 -25.835 1.00 0.00 ATOM 628 N ASP 93 -2.548 -5.956 -26.343 1.00 0.00 ATOM 629 CA ASP 93 -3.869 -6.430 -26.739 1.00 0.00 ATOM 630 CB ASP 93 -3.825 -7.108 -28.112 1.00 0.00 ATOM 631 CG ASP 93 -3.927 -6.116 -29.285 1.00 0.00 ATOM 632 OD1 ASP 93 -3.721 -4.896 -29.135 1.00 0.00 ATOM 633 OD2 ASP 93 -4.223 -6.571 -30.381 1.00 0.00 ATOM 634 O ASP 93 -3.433 -8.324 -25.372 1.00 0.00 ATOM 635 C ASP 93 -4.249 -7.438 -25.677 1.00 0.00 ATOM 636 N PHE 94 -5.428 -7.268 -25.075 1.00 0.00 ATOM 637 CA PHE 94 -5.891 -8.076 -23.938 1.00 0.00 ATOM 638 CB PHE 94 -6.629 -7.228 -22.886 1.00 0.00 ATOM 639 CG PHE 94 -5.812 -6.111 -22.280 1.00 0.00 ATOM 640 CD1 PHE 94 -5.378 -5.025 -23.068 1.00 0.00 ATOM 641 CD2 PHE 94 -5.520 -6.106 -20.918 1.00 0.00 ATOM 642 CE1 PHE 94 -4.642 -4.002 -22.526 1.00 0.00 ATOM 643 CE2 PHE 94 -4.793 -5.080 -20.356 1.00 0.00 ATOM 644 CZ PHE 94 -4.348 -4.028 -21.159 1.00 0.00 ATOM 645 O PHE 94 -7.944 -8.834 -24.944 1.00 0.00 ATOM 646 C PHE 94 -6.853 -9.155 -24.458 1.00 0.00 ATOM 647 N LEU 95 -6.452 -10.414 -24.326 1.00 0.00 ATOM 648 CA LEU 95 -7.149 -11.557 -24.877 1.00 0.00 ATOM 649 CB LEU 95 -6.109 -12.526 -25.424 1.00 0.00 ATOM 650 CG LEU 95 -5.105 -11.859 -26.349 1.00 0.00 ATOM 651 CD1 LEU 95 -4.177 -12.866 -26.930 1.00 0.00 ATOM 652 CD2 LEU 95 -5.847 -11.061 -27.409 1.00 0.00 ATOM 653 O LEU 95 -9.011 -12.953 -24.294 1.00 0.00 ATOM 654 C LEU 95 -8.029 -12.310 -23.896 1.00 0.00 ATOM 655 N SER 96 -7.635 -12.305 -22.632 1.00 0.00 ATOM 656 CA SER 96 -8.387 -12.922 -21.577 1.00 0.00 ATOM 657 CB SER 96 -8.257 -14.460 -21.574 1.00 0.00 ATOM 658 OG SER 96 -6.972 -14.890 -21.188 1.00 0.00 ATOM 659 O SER 96 -6.903 -11.684 -20.150 1.00 0.00 ATOM 660 C SER 96 -7.955 -12.343 -20.249 1.00 0.00 ATOM 661 N GLY 97 -8.752 -12.620 -19.232 1.00 0.00 ATOM 662 CA GLY 97 -8.598 -12.009 -17.917 1.00 0.00 ATOM 663 O GLY 97 -7.998 -14.146 -17.085 1.00 0.00 ATOM 664 C GLY 97 -8.002 -12.953 -16.890 1.00 0.00 ATOM 665 N ALA 98 -7.507 -12.409 -15.783 1.00 0.00 ATOM 666 CA ALA 98 -6.946 -13.220 -14.719 1.00 0.00 ATOM 667 CB ALA 98 -5.531 -12.830 -14.449 1.00 0.00 ATOM 668 O ALA 98 -8.455 -11.968 -13.357 1.00 0.00 ATOM 669 C ALA 98 -7.816 -13.001 -13.489 1.00 0.00 ATOM 670 N LYS 99 -7.880 -13.988 -12.613 1.00 0.00 ATOM 671 CA LYS 99 -8.734 -13.874 -11.459 1.00 0.00 ATOM 672 CB LYS 99 -9.854 -14.944 -11.462 1.00 0.00 ATOM 673 CG LYS 99 -9.396 -16.358 -11.711 1.00 0.00 ATOM 674 O LYS 99 -6.712 -14.268 -10.244 1.00 0.00 ATOM 675 C LYS 99 -7.897 -13.931 -10.215 1.00 0.00 ATOM 676 N LEU 100 -8.540 -13.579 -9.109 1.00 0.00 ATOM 677 CA LEU 100 -7.914 -13.622 -7.806 1.00 0.00 ATOM 678 CB LEU 100 -8.996 -13.354 -6.752 1.00 0.00 ATOM 679 CG LEU 100 -8.565 -13.225 -5.307 1.00 0.00 ATOM 680 CD1 LEU 100 -7.611 -12.023 -5.065 1.00 0.00 ATOM 681 CD2 LEU 100 -9.795 -13.123 -4.432 1.00 0.00 ATOM 682 O LEU 100 -7.896 -16.012 -7.793 1.00 0.00 ATOM 683 C LEU 100 -7.250 -14.993 -7.592 1.00 0.00 ATOM 684 N GLY 101 -5.974 -15.005 -7.204 1.00 0.00 ATOM 685 CA GLY 101 -5.201 -16.262 -6.973 1.00 0.00 ATOM 686 O GLY 101 -3.785 -17.871 -8.084 1.00 0.00 ATOM 687 C GLY 101 -4.553 -16.902 -8.204 1.00 0.00 ATOM 688 N ASP 102 -4.806 -16.378 -9.396 1.00 0.00 ATOM 689 CA ASP 102 -4.066 -16.873 -10.580 1.00 0.00 ATOM 690 CB ASP 102 -4.609 -16.295 -11.892 1.00 0.00 ATOM 691 CG ASP 102 -5.883 -16.980 -12.374 1.00 0.00 ATOM 692 OD1 ASP 102 -6.213 -18.105 -11.945 1.00 0.00 ATOM 693 OD2 ASP 102 -6.607 -16.356 -13.154 1.00 0.00 ATOM 694 O ASP 102 -2.231 -15.415 -10.036 1.00 0.00 ATOM 695 C ASP 102 -2.586 -16.511 -10.493 1.00 0.00 ATOM 696 N TRP 103 -1.742 -17.449 -10.922 1.00 0.00 ATOM 697 CA TRP 103 -0.310 -17.237 -11.123 1.00 0.00 ATOM 698 CB TRP 103 0.464 -18.543 -10.940 1.00 0.00 ATOM 699 CG TRP 103 1.942 -18.428 -10.986 1.00 0.00 ATOM 700 CD1 TRP 103 2.766 -19.008 -11.911 1.00 0.00 ATOM 701 CD2 TRP 103 2.810 -17.760 -10.051 1.00 0.00 ATOM 702 CE2 TRP 103 4.129 -17.943 -10.505 1.00 0.00 ATOM 703 CE3 TRP 103 2.604 -17.016 -8.893 1.00 0.00 ATOM 704 NE1 TRP 103 4.072 -18.711 -11.630 1.00 0.00 ATOM 705 CZ2 TRP 103 5.252 -17.432 -9.808 1.00 0.00 ATOM 706 CZ3 TRP 103 3.720 -16.486 -8.220 1.00 0.00 ATOM 707 CH2 TRP 103 5.021 -16.710 -8.689 1.00 0.00 ATOM 708 O TRP 103 -0.198 -17.497 -13.505 1.00 0.00 ATOM 709 C TRP 103 -0.060 -16.743 -12.525 1.00 0.00 ATOM 710 N VAL 104 0.348 -15.491 -12.612 1.00 0.00 ATOM 711 CA VAL 104 0.456 -14.825 -13.897 1.00 0.00 ATOM 712 CB VAL 104 -0.183 -13.420 -13.825 1.00 0.00 ATOM 713 CG1 VAL 104 0.030 -12.659 -15.148 1.00 0.00 ATOM 714 CG2 VAL 104 -1.713 -13.536 -13.478 1.00 0.00 ATOM 715 O VAL 104 2.707 -14.277 -13.351 1.00 0.00 ATOM 716 C VAL 104 1.947 -14.686 -14.209 1.00 0.00 ATOM 717 N GLU 105 2.344 -14.946 -15.453 1.00 0.00 ATOM 718 CA GLU 105 3.733 -14.865 -15.850 1.00 0.00 ATOM 719 CB GLU 105 4.319 -16.261 -16.151 1.00 0.00 ATOM 720 CG GLU 105 4.400 -17.157 -14.916 1.00 0.00 ATOM 721 CD GLU 105 5.112 -18.495 -15.153 1.00 0.00 ATOM 722 OE1 GLU 105 5.675 -18.721 -16.239 1.00 0.00 ATOM 723 OE2 GLU 105 5.132 -19.332 -14.225 1.00 0.00 ATOM 724 O GLU 105 2.851 -13.791 -17.798 1.00 0.00 ATOM 725 C GLU 105 3.833 -13.978 -17.074 1.00 0.00 ATOM 726 N GLY 106 5.015 -13.414 -17.256 1.00 0.00 ATOM 727 CA GLY 106 5.288 -12.449 -18.328 1.00 0.00 ATOM 728 O GLY 106 7.595 -12.802 -18.015 1.00 0.00 ATOM 729 C GLY 106 6.725 -12.574 -18.814 1.00 0.00 ATOM 730 N GLU 107 6.958 -12.486 -20.124 1.00 0.00 ATOM 731 CA GLU 107 8.301 -12.553 -20.657 1.00 0.00 ATOM 732 CB GLU 107 8.682 -14.017 -20.922 1.00 0.00 ATOM 733 CG GLU 107 10.145 -14.291 -21.079 1.00 0.00 ATOM 734 CD GLU 107 10.441 -15.728 -21.554 1.00 0.00 ATOM 735 OE1 GLU 107 9.480 -16.505 -21.738 1.00 0.00 ATOM 736 OE2 GLU 107 11.644 -16.061 -21.770 1.00 0.00 ATOM 737 O GLU 107 7.310 -11.883 -22.704 1.00 0.00 ATOM 738 C GLU 107 8.298 -11.820 -21.968 1.00 0.00 ATOM 739 N GLY 108 9.416 -11.187 -22.286 1.00 0.00 ATOM 740 CA GLY 108 9.606 -10.634 -23.628 1.00 0.00 ATOM 741 O GLY 108 11.554 -11.993 -23.780 1.00 0.00 ATOM 742 C GLY 108 10.698 -11.362 -24.388 1.00 0.00 ATOM 743 N GLU 109 10.659 -11.266 -25.711 1.00 0.00 ATOM 744 CA GLU 109 11.766 -11.667 -26.557 1.00 0.00 ATOM 745 CB GLU 109 11.321 -12.723 -27.557 1.00 0.00 ATOM 746 CG GLU 109 10.399 -12.250 -28.640 1.00 0.00 ATOM 747 O GLU 109 11.641 -9.634 -27.843 1.00 0.00 ATOM 748 C GLU 109 12.365 -10.440 -27.245 1.00 0.00 ATOM 749 N LEU 110 13.688 -10.289 -27.125 1.00 0.00 ATOM 750 CA LEU 110 14.375 -9.144 -27.725 1.00 0.00 ATOM 751 CB LEU 110 15.768 -8.896 -27.112 1.00 0.00 ATOM 752 CG LEU 110 16.536 -7.736 -27.780 1.00 0.00 ATOM 753 CD1 LEU 110 15.765 -6.438 -27.683 1.00 0.00 ATOM 754 CD2 LEU 110 17.936 -7.568 -27.179 1.00 0.00 ATOM 755 O LEU 110 15.163 -10.332 -29.636 1.00 0.00 ATOM 756 C LEU 110 14.485 -9.392 -29.207 1.00 0.00 ATOM 757 N ILE 111 13.808 -8.559 -29.988 1.00 0.00 ATOM 758 CA ILE 111 13.816 -8.685 -31.435 1.00 0.00 ATOM 759 CB ILE 111 12.486 -8.182 -32.055 1.00 0.00 ATOM 760 CG1 ILE 111 11.295 -8.917 -31.444 1.00 0.00 ATOM 761 CG2 ILE 111 12.489 -8.387 -33.556 1.00 0.00 ATOM 762 CD1 ILE 111 11.389 -10.432 -31.518 1.00 0.00 ATOM 763 O ILE 111 15.669 -8.419 -32.959 1.00 0.00 ATOM 764 C ILE 111 14.955 -7.899 -32.088 1.00 0.00 ATOM 765 N SER 112 15.098 -6.639 -31.697 1.00 0.00 ATOM 766 CA SER 112 16.005 -5.740 -32.387 1.00 0.00 ATOM 767 CB SER 112 15.313 -5.159 -33.622 1.00 0.00 ATOM 768 OG SER 112 14.127 -4.481 -33.255 1.00 0.00 ATOM 769 O SER 112 15.853 -4.400 -30.398 1.00 0.00 ATOM 770 C SER 112 16.452 -4.628 -31.467 1.00 0.00 ATOM 771 N GLU 113 17.535 -3.975 -31.860 1.00 0.00 ATOM 772 CA GLU 113 18.070 -2.798 -31.165 1.00 0.00 ATOM 773 CB GLU 113 19.227 -3.164 -30.214 1.00 0.00 ATOM 774 CG GLU 113 19.914 -1.976 -29.449 1.00 0.00 ATOM 775 CD GLU 113 20.994 -1.205 -30.253 1.00 0.00 ATOM 776 OE1 GLU 113 21.305 -1.571 -31.393 1.00 0.00 ATOM 777 OE2 GLU 113 21.557 -0.201 -29.733 1.00 0.00 ATOM 778 O GLU 113 19.269 -2.246 -33.144 1.00 0.00 ATOM 779 C GLU 113 18.551 -1.835 -32.237 1.00 0.00 ATOM 780 N GLU 114 18.158 -0.570 -32.139 1.00 0.00 ATOM 781 CA GLU 114 18.722 0.489 -32.978 1.00 0.00 ATOM 782 CB GLU 114 17.715 0.971 -34.065 1.00 0.00 ATOM 783 CG GLU 114 16.679 2.107 -33.684 1.00 0.00 ATOM 784 CD GLU 114 16.168 2.899 -34.911 1.00 0.00 ATOM 785 OE1 GLU 114 15.661 2.258 -35.856 1.00 0.00 ATOM 786 OE2 GLU 114 16.262 4.154 -34.939 1.00 0.00 ATOM 787 O GLU 114 18.215 2.198 -31.438 1.00 0.00 ATOM 788 C GLU 114 19.092 1.616 -32.053 1.00 0.00 ATOM 789 N ASP 115 20.380 1.928 -31.952 1.00 0.00 ATOM 790 CA ASP 115 20.822 3.134 -31.272 1.00 0.00 ATOM 791 CB ASP 115 20.482 4.415 -32.071 1.00 0.00 ATOM 792 CG ASP 115 21.240 4.508 -33.372 1.00 0.00 ATOM 793 OD1 ASP 115 22.418 4.071 -33.393 1.00 0.00 ATOM 794 OD2 ASP 115 20.661 5.002 -34.383 1.00 0.00 ATOM 795 O ASP 115 19.564 4.179 -29.555 1.00 0.00 ATOM 796 C ASP 115 20.135 3.177 -29.925 1.00 0.00 ATOM 797 N MET 116 20.173 2.051 -29.228 1.00 0.00 ATOM 798 CA MET 116 19.817 1.964 -27.836 1.00 0.00 ATOM 799 CB MET 116 20.606 3.003 -27.056 1.00 0.00 ATOM 800 CG MET 116 22.113 2.637 -27.129 1.00 0.00 ATOM 801 SD MET 116 22.456 0.994 -26.010 1.00 0.00 ATOM 802 CE MET 116 22.623 1.982 -24.594 1.00 0.00 ATOM 803 O MET 116 17.861 2.011 -26.394 1.00 0.00 ATOM 804 C MET 116 18.286 1.954 -27.548 1.00 0.00 ATOM 805 N LEU 117 17.510 1.796 -28.615 1.00 0.00 ATOM 806 CA LEU 117 16.095 1.472 -28.542 1.00 0.00 ATOM 807 CB LEU 117 15.283 2.282 -29.562 1.00 0.00 ATOM 808 CG LEU 117 15.521 3.789 -29.569 1.00 0.00 ATOM 809 CD1 LEU 117 15.051 4.411 -30.918 1.00 0.00 ATOM 810 CD2 LEU 117 14.880 4.435 -28.379 1.00 0.00 ATOM 811 O LEU 117 16.269 -0.493 -29.961 1.00 0.00 ATOM 812 C LEU 117 15.958 -0.004 -28.833 1.00 0.00 ATOM 813 N PHE 118 15.448 -0.707 -27.830 1.00 0.00 ATOM 814 CA PHE 118 15.324 -2.155 -27.816 1.00 0.00 ATOM 815 CB PHE 118 15.798 -2.721 -26.472 1.00 0.00 ATOM 816 CG PHE 118 17.280 -2.664 -26.265 1.00 0.00 ATOM 817 CD1 PHE 118 17.891 -1.509 -25.789 1.00 0.00 ATOM 818 CD2 PHE 118 18.064 -3.785 -26.507 1.00 0.00 ATOM 819 CE1 PHE 118 19.265 -1.455 -25.609 1.00 0.00 ATOM 820 CE2 PHE 118 19.440 -3.741 -26.349 1.00 0.00 ATOM 821 CZ PHE 118 20.043 -2.575 -25.879 1.00 0.00 ATOM 822 O PHE 118 13.023 -1.994 -27.278 1.00 0.00 ATOM 823 C PHE 118 13.870 -2.482 -28.014 1.00 0.00 ATOM 824 N THR 119 13.571 -3.281 -29.027 1.00 0.00 ATOM 825 CA THR 119 12.192 -3.663 -29.325 1.00 0.00 ATOM 826 CB THR 119 11.924 -3.578 -30.811 1.00 0.00 ATOM 827 CG2 THR 119 10.518 -4.074 -31.170 1.00 0.00 ATOM 828 OG1 THR 119 12.048 -2.226 -31.249 1.00 0.00 ATOM 829 O THR 119 12.658 -6.002 -29.287 1.00 0.00 ATOM 830 C THR 119 11.959 -5.086 -28.853 1.00 0.00 ATOM 831 N VAL 120 10.967 -5.252 -27.975 1.00 0.00 ATOM 832 CA VAL 120 10.690 -6.495 -27.272 1.00 0.00 ATOM 833 CB VAL 120 10.890 -6.311 -25.762 1.00 0.00 ATOM 834 CG1 VAL 120 10.476 -7.560 -25.012 1.00 0.00 ATOM 835 CG2 VAL 120 12.318 -5.940 -25.493 1.00 0.00 ATOM 836 O VAL 120 8.344 -6.105 -27.353 1.00 0.00 ATOM 837 C VAL 120 9.255 -6.900 -27.571 1.00 0.00 ATOM 838 N ARG 121 9.085 -8.093 -28.148 1.00 0.00 ATOM 839 CA ARG 121 7.792 -8.717 -28.376 1.00 0.00 ATOM 840 CB ARG 121 7.804 -9.590 -29.622 1.00 0.00 ATOM 841 CG ARG 121 6.639 -10.532 -29.717 1.00 0.00 ATOM 842 CD ARG 121 6.358 -10.999 -31.187 1.00 0.00 ATOM 843 O ARG 121 8.374 -10.251 -26.596 1.00 0.00 ATOM 844 C ARG 121 7.489 -9.558 -27.148 1.00 0.00 ATOM 845 N GLY 122 6.242 -9.483 -26.701 1.00 0.00 ATOM 846 CA GLY 122 5.926 -9.936 -25.373 1.00 0.00 ATOM 847 O GLY 122 3.719 -10.532 -26.079 1.00 0.00 ATOM 848 C GLY 122 4.610 -10.682 -25.242 1.00 0.00 ATOM 849 N ARG 123 4.522 -11.471 -24.170 1.00 0.00 ATOM 850 CA ARG 123 3.314 -12.196 -23.758 1.00 0.00 ATOM 851 CB ARG 123 3.408 -13.666 -24.166 1.00 0.00 ATOM 852 CG ARG 123 3.538 -13.902 -25.621 1.00 0.00 ATOM 853 CD ARG 123 2.209 -13.757 -26.322 1.00 0.00 ATOM 854 NE ARG 123 2.266 -14.073 -27.756 1.00 0.00 ATOM 855 CZ ARG 123 2.040 -15.282 -28.292 1.00 0.00 ATOM 856 NH1 ARG 123 1.764 -16.346 -27.544 1.00 0.00 ATOM 857 NH2 ARG 123 2.101 -15.427 -29.597 1.00 0.00 ATOM 858 O ARG 123 4.191 -12.063 -21.547 1.00 0.00 ATOM 859 C ARG 123 3.183 -12.152 -22.240 1.00 0.00 ATOM 860 N ILE 124 1.944 -12.224 -21.748 1.00 0.00 ATOM 861 CA ILE 124 1.617 -12.427 -20.350 1.00 0.00 ATOM 862 CB ILE 124 0.919 -11.199 -19.746 1.00 0.00 ATOM 863 CG1 ILE 124 1.774 -9.953 -19.993 1.00 0.00 ATOM 864 CG2 ILE 124 0.568 -11.425 -18.247 1.00 0.00 ATOM 865 CD1 ILE 124 3.155 -10.036 -19.451 1.00 0.00 ATOM 866 O ILE 124 -0.362 -13.537 -21.199 1.00 0.00 ATOM 867 C ILE 124 0.599 -13.563 -20.376 1.00 0.00 ATOM 868 N TRP 125 0.789 -14.532 -19.507 1.00 0.00 ATOM 869 CA TRP 125 -0.086 -15.708 -19.470 1.00 0.00 ATOM 870 CB TRP 125 0.527 -16.810 -20.323 1.00 0.00 ATOM 871 CG TRP 125 1.841 -17.357 -19.794 1.00 0.00 ATOM 872 CD1 TRP 125 1.985 -18.460 -19.016 1.00 0.00 ATOM 873 CD2 TRP 125 3.185 -16.875 -20.044 1.00 0.00 ATOM 874 CE2 TRP 125 4.071 -17.734 -19.337 1.00 0.00 ATOM 875 CE3 TRP 125 3.728 -15.806 -20.773 1.00 0.00 ATOM 876 NE1 TRP 125 3.305 -18.680 -18.717 1.00 0.00 ATOM 877 CZ2 TRP 125 5.463 -17.564 -19.340 1.00 0.00 ATOM 878 CZ3 TRP 125 5.146 -15.650 -20.794 1.00 0.00 ATOM 879 CH2 TRP 125 5.982 -16.522 -20.079 1.00 0.00 ATOM 880 O TRP 125 0.393 -15.875 -17.121 1.00 0.00 ATOM 881 C TRP 125 -0.336 -16.204 -18.046 1.00 0.00 ATOM 882 N ALA 126 -1.424 -16.950 -17.895 1.00 0.00 ATOM 883 CA ALA 126 -1.799 -17.621 -16.671 1.00 0.00 ATOM 884 CB ALA 126 -2.999 -16.966 -16.051 1.00 0.00 ATOM 885 O ALA 126 -3.140 -19.334 -17.714 1.00 0.00 ATOM 886 C ALA 126 -2.109 -19.054 -17.089 1.00 0.00 ATOM 887 N GLY 127 -1.185 -19.951 -16.782 1.00 0.00 ATOM 888 CA GLY 127 -1.199 -21.307 -17.343 1.00 0.00 ATOM 889 O GLY 127 -0.499 -20.750 -19.570 1.00 0.00 ATOM 890 C GLY 127 -1.319 -21.347 -18.845 1.00 0.00 ATOM 891 N GLU 128 -2.360 -22.026 -19.326 1.00 0.00 ATOM 892 CA GLU 128 -2.542 -22.232 -20.756 1.00 0.00 ATOM 893 CB GLU 128 -3.329 -23.539 -20.988 1.00 0.00 ATOM 894 CG GLU 128 -2.466 -24.776 -20.926 1.00 0.00 ATOM 895 CD GLU 128 -1.517 -24.844 -22.107 1.00 0.00 ATOM 896 OE1 GLU 128 -1.999 -24.804 -23.258 1.00 0.00 ATOM 897 OE2 GLU 128 -0.291 -24.913 -21.884 1.00 0.00 ATOM 898 O GLU 128 -3.534 -21.094 -22.587 1.00 0.00 ATOM 899 C GLU 128 -3.277 -21.069 -21.399 1.00 0.00 ATOM 900 N ARG 129 -3.665 -20.075 -20.604 1.00 0.00 ATOM 901 CA ARG 129 -4.380 -18.901 -21.100 1.00 0.00 ATOM 902 CB ARG 129 -5.380 -18.374 -20.057 1.00 0.00 ATOM 903 CG ARG 129 -6.207 -19.431 -19.309 1.00 0.00 ATOM 904 CD ARG 129 -7.363 -18.814 -18.535 1.00 0.00 ATOM 905 NE ARG 129 -6.987 -17.637 -17.748 1.00 0.00 ATOM 906 CZ ARG 129 -6.575 -17.647 -16.478 1.00 0.00 ATOM 907 NH1 ARG 129 -6.448 -18.777 -15.792 1.00 0.00 ATOM 908 NH2 ARG 129 -6.275 -16.499 -15.885 1.00 0.00 ATOM 909 O ARG 129 -2.657 -17.358 -20.456 1.00 0.00 ATOM 910 C ARG 129 -3.379 -17.780 -21.388 1.00 0.00 ATOM 911 N THR 130 -3.353 -17.282 -22.632 1.00 0.00 ATOM 912 CA THR 130 -2.632 -16.025 -22.930 1.00 0.00 ATOM 913 CB THR 130 -2.127 -15.965 -24.362 1.00 0.00 ATOM 914 CG2 THR 130 -1.375 -14.657 -24.645 1.00 0.00 ATOM 915 OG1 THR 130 -1.235 -17.059 -24.585 1.00 0.00 ATOM 916 O THR 130 -4.636 -14.668 -23.127 1.00 0.00 ATOM 917 C THR 130 -3.522 -14.808 -22.591 1.00 0.00 ATOM 918 N LEU 131 -3.022 -13.942 -21.698 1.00 0.00 ATOM 919 CA LEU 131 -3.792 -12.795 -21.215 1.00 0.00 ATOM 920 CB LEU 131 -3.468 -12.486 -19.776 1.00 0.00 ATOM 921 CG LEU 131 -3.477 -13.653 -18.792 1.00 0.00 ATOM 922 CD1 LEU 131 -3.063 -13.148 -17.453 1.00 0.00 ATOM 923 CD2 LEU 131 -4.802 -14.315 -18.696 1.00 0.00 ATOM 924 O LEU 131 -4.479 -10.834 -22.365 1.00 0.00 ATOM 925 C LEU 131 -3.544 -11.581 -22.074 1.00 0.00 ATOM 926 N ILE 132 -2.288 -11.397 -22.478 1.00 0.00 ATOM 927 CA ILE 132 -1.856 -10.230 -23.238 1.00 0.00 ATOM 928 CB ILE 132 -1.264 -9.131 -22.309 1.00 0.00 ATOM 929 CG1 ILE 132 -2.370 -8.430 -21.509 1.00 0.00 ATOM 930 CG2 ILE 132 -0.492 -8.092 -23.141 1.00 0.00 ATOM 931 CD1 ILE 132 -1.911 -7.103 -20.888 1.00 0.00 ATOM 932 O ILE 132 0.168 -11.328 -23.900 1.00 0.00 ATOM 933 C ILE 132 -0.776 -10.610 -24.238 1.00 0.00 ATOM 934 N THR 133 -0.890 -10.095 -25.455 1.00 0.00 ATOM 935 CA THR 133 0.188 -10.156 -26.414 1.00 0.00 ATOM 936 CB THR 133 -0.209 -10.985 -27.693 1.00 0.00 ATOM 937 CG2 THR 133 -1.397 -10.387 -28.382 1.00 0.00 ATOM 938 OG1 THR 133 0.873 -11.021 -28.620 1.00 0.00 ATOM 939 O THR 133 -0.412 -7.862 -26.800 1.00 0.00 ATOM 940 C THR 133 0.484 -8.708 -26.736 1.00 0.00 ATOM 941 N GLY 134 1.743 -8.385 -26.911 1.00 0.00 ATOM 942 CA GLY 134 2.071 -7.059 -27.342 1.00 0.00 ATOM 943 O GLY 134 4.339 -7.737 -27.586 1.00 0.00 ATOM 944 C GLY 134 3.522 -6.810 -27.604 1.00 0.00 ATOM 945 N THR 135 3.823 -5.523 -27.782 1.00 0.00 ATOM 946 CA THR 135 5.175 -5.026 -28.064 1.00 0.00 ATOM 947 CB THR 135 5.321 -4.627 -29.549 1.00 0.00 ATOM 948 CG2 THR 135 6.720 -4.091 -29.844 1.00 0.00 ATOM 949 OG1 THR 135 5.122 -5.771 -30.368 1.00 0.00 ATOM 950 O THR 135 4.678 -2.921 -26.987 1.00 0.00 ATOM 951 C THR 135 5.518 -3.814 -27.198 1.00 0.00 ATOM 952 N GLY 136 6.759 -3.813 -26.707 1.00 0.00 ATOM 953 CA GLY 136 7.368 -2.723 -25.954 1.00 0.00 ATOM 954 O GLY 136 9.382 -3.013 -27.242 1.00 0.00 ATOM 955 C GLY 136 8.613 -2.217 -26.656 1.00 0.00 ATOM 956 N VAL 137 8.820 -0.895 -26.615 1.00 0.00 ATOM 957 CA VAL 137 10.089 -0.328 -27.055 1.00 0.00 ATOM 958 CB VAL 137 9.971 0.551 -28.318 1.00 0.00 ATOM 959 CG1 VAL 137 11.339 1.045 -28.737 1.00 0.00 ATOM 960 CG2 VAL 137 9.281 -0.190 -29.451 1.00 0.00 ATOM 961 O VAL 137 9.968 1.329 -25.321 1.00 0.00 ATOM 962 C VAL 137 10.643 0.454 -25.884 1.00 0.00 ATOM 963 N PHE 138 11.861 0.086 -25.500 1.00 0.00 ATOM 964 CA PHE 138 12.534 0.615 -24.356 1.00 0.00 ATOM 965 CB PHE 138 12.792 -0.542 -23.431 1.00 0.00 ATOM 966 CG PHE 138 11.522 -1.302 -23.056 1.00 0.00 ATOM 967 CD1 PHE 138 10.712 -0.855 -22.060 1.00 0.00 ATOM 968 CD2 PHE 138 11.165 -2.447 -23.725 1.00 0.00 ATOM 969 CE1 PHE 138 9.543 -1.541 -21.731 1.00 0.00 ATOM 970 CE2 PHE 138 10.012 -3.158 -23.374 1.00 0.00 ATOM 971 CZ PHE 138 9.214 -2.700 -22.380 1.00 0.00 ATOM 972 O PHE 138 14.563 0.816 -25.647 1.00 0.00 ATOM 973 C PHE 138 13.842 1.304 -24.752 1.00 0.00 ATOM 974 N LYS 139 14.105 2.450 -24.150 1.00 0.00 ATOM 975 CA LYS 139 15.332 3.182 -24.415 1.00 0.00 ATOM 976 CB LYS 139 15.091 4.678 -24.647 1.00 0.00 ATOM 977 CG LYS 139 16.385 5.492 -24.656 1.00 0.00 ATOM 978 CD LYS 139 16.282 6.795 -25.430 1.00 0.00 ATOM 979 CE LYS 139 15.333 7.772 -24.783 1.00 0.00 ATOM 980 NZ LYS 139 15.268 9.075 -25.565 1.00 0.00 ATOM 981 O LYS 139 15.982 3.280 -22.088 1.00 0.00 ATOM 982 C LYS 139 16.276 2.951 -23.251 1.00 0.00 ATOM 983 N ALA 140 17.415 2.354 -23.565 1.00 0.00 ATOM 984 CA ALA 140 18.482 2.204 -22.594 1.00 0.00 ATOM 985 CB ALA 140 19.436 1.158 -23.055 1.00 0.00 ATOM 986 O ALA 140 19.505 4.231 -23.387 1.00 0.00 ATOM 987 C ALA 140 19.183 3.553 -22.411 1.00 0.00 ATOM 988 N LEU 141 19.408 3.927 -21.160 1.00 0.00 ATOM 989 CA LEU 141 19.900 5.239 -20.818 1.00 0.00 ATOM 990 CB LEU 141 19.106 5.828 -19.660 1.00 0.00 ATOM 991 CG LEU 141 17.623 6.097 -19.936 1.00 0.00 ATOM 992 CD1 LEU 141 16.876 6.330 -18.632 1.00 0.00 ATOM 993 CD2 LEU 141 17.476 7.283 -20.818 1.00 0.00 ATOM 994 O LEU 141 22.198 5.554 -21.207 1.00 0.00 ATOM 995 C LEU 141 21.379 5.120 -20.458 1.00 0.00 ATOM 996 N SER 142 21.731 4.526 -19.335 1.00 0.00 ATOM 997 CA SER 142 23.165 4.439 -19.022 1.00 0.00 ATOM 998 CB SER 142 23.639 5.782 -18.466 1.00 0.00 ATOM 999 OG SER 142 22.962 6.037 -17.250 1.00 0.00 ATOM 1000 O SER 142 22.561 2.702 -17.473 1.00 0.00 ATOM 1001 C SER 142 23.466 3.278 -18.077 1.00 0.00 ATOM 1002 N ALA 143 24.745 2.911 -17.970 1.00 0.00 ATOM 1003 CA ALA 143 25.158 1.861 -17.069 1.00 0.00 ATOM 1004 CB ALA 143 26.684 1.686 -17.097 1.00 0.00 ATOM 1005 O ALA 143 24.709 3.299 -15.184 1.00 0.00 ATOM 1006 C ALA 143 24.695 2.149 -15.640 1.00 0.00 ATOM 1007 N ARG 144 24.284 1.103 -14.949 1.00 0.00 ATOM 1008 CA ARG 144 24.039 1.186 -13.507 1.00 0.00 ATOM 1009 CB ARG 144 22.550 1.290 -13.217 1.00 0.00 ATOM 1010 CG ARG 144 21.741 0.153 -13.846 1.00 0.00 ATOM 1011 CD ARG 144 20.723 -0.403 -12.907 1.00 0.00 ATOM 1012 NE ARG 144 19.883 -1.391 -13.556 1.00 0.00 ATOM 1013 CZ ARG 144 20.115 -2.702 -13.571 1.00 0.00 ATOM 1014 NH1 ARG 144 21.156 -3.222 -12.961 1.00 0.00 ATOM 1015 NH2 ARG 144 19.284 -3.506 -14.226 1.00 0.00 ATOM 1016 O ARG 144 25.180 -0.929 -13.501 1.00 0.00 ATOM 1017 C ARG 144 24.657 -0.038 -12.829 1.00 0.00 ATOM 1018 N LYS 145 24.616 -0.057 -11.498 1.00 0.00 ATOM 1019 CA LYS 145 25.154 -1.174 -10.727 1.00 0.00 ATOM 1020 CB LYS 145 25.024 -0.906 -9.217 1.00 0.00 ATOM 1021 CG LYS 145 25.559 -2.025 -8.308 1.00 0.00 ATOM 1022 CD LYS 145 25.248 -1.708 -6.829 1.00 0.00 ATOM 1023 CE LYS 145 26.084 -2.541 -5.844 1.00 0.00 ATOM 1024 NZ LYS 145 26.471 -1.756 -4.591 1.00 0.00 ATOM 1025 O LYS 145 23.159 -2.481 -11.121 1.00 0.00 ATOM 1026 C LYS 145 24.404 -2.452 -11.129 1.00 0.00 ATOM 1027 N PRO 146 25.142 -3.472 -11.585 1.00 0.00 ATOM 1028 CA PRO 146 24.530 -4.769 -11.895 1.00 0.00 ATOM 1029 CB PRO 146 25.703 -5.591 -12.427 1.00 0.00 ATOM 1030 CG PRO 146 26.645 -4.504 -13.013 1.00 0.00 ATOM 1031 CD PRO 146 26.549 -3.423 -12.003 1.00 0.00 ATOM 1032 O PRO 146 24.320 -5.251 -9.551 1.00 0.00 ATOM 1033 C PRO 146 23.878 -5.437 -10.698 1.00 0.00 ATOM 1034 N ARG 147 22.822 -6.188 -10.989 1.00 0.00 ATOM 1035 CA ARG 147 22.088 -6.933 -9.985 1.00 0.00 ATOM 1036 CB ARG 147 20.587 -6.576 -10.048 1.00 0.00 ATOM 1037 CG ARG 147 20.312 -5.069 -9.989 1.00 0.00 ATOM 1038 CD ARG 147 18.876 -4.716 -9.598 1.00 0.00 ATOM 1039 NE ARG 147 17.986 -4.445 -10.745 1.00 0.00 ATOM 1040 CZ ARG 147 17.657 -3.234 -11.213 1.00 0.00 ATOM 1041 NH1 ARG 147 18.144 -2.107 -10.684 1.00 0.00 ATOM 1042 NH2 ARG 147 16.827 -3.150 -12.245 1.00 0.00 ATOM 1043 O ARG 147 22.560 -8.858 -11.361 1.00 0.00 ATOM 1044 C ARG 147 22.320 -8.428 -10.222 1.00 0.00 ATOM 1045 N PRO 148 22.264 -9.234 -9.152 1.00 0.00 ATOM 1046 CA PRO 148 22.468 -10.671 -9.335 1.00 0.00 ATOM 1047 CB PRO 148 22.081 -11.257 -7.968 1.00 0.00 ATOM 1048 CG PRO 148 22.424 -10.146 -6.992 1.00 0.00 ATOM 1049 CD PRO 148 22.005 -8.884 -7.746 1.00 0.00 ATOM 1050 O PRO 148 20.456 -10.853 -10.626 1.00 0.00 ATOM 1051 C PRO 148 21.609 -11.254 -10.466 1.00 0.00 ATOM 1052 N GLY 149 22.206 -12.137 -11.273 1.00 0.00 ATOM 1053 CA GLY 149 21.540 -12.787 -12.384 1.00 0.00 ATOM 1054 O GLY 149 21.331 -12.608 -14.761 1.00 0.00 ATOM 1055 C GLY 149 21.657 -12.050 -13.704 1.00 0.00 ATOM 1056 N GLU 150 22.114 -10.798 -13.666 1.00 0.00 ATOM 1057 CA GLU 150 22.296 -10.013 -14.890 1.00 0.00 ATOM 1058 CB GLU 150 22.239 -8.529 -14.560 1.00 0.00 ATOM 1059 CG GLU 150 20.916 -8.119 -14.004 1.00 0.00 ATOM 1060 CD GLU 150 20.784 -6.639 -13.831 1.00 0.00 ATOM 1061 OE1 GLU 150 21.826 -5.955 -13.708 1.00 0.00 ATOM 1062 OE2 GLU 150 19.625 -6.168 -13.795 1.00 0.00 ATOM 1063 O GLU 150 24.556 -10.747 -14.811 1.00 0.00 ATOM 1064 C GLU 150 23.627 -10.365 -15.519 1.00 0.00 ATOM 1065 N LEU 151 23.728 -10.229 -16.842 1.00 0.00 ATOM 1066 CA LEU 151 24.946 -10.585 -17.562 1.00 0.00 ATOM 1067 CB LEU 151 24.762 -10.255 -19.053 1.00 0.00 ATOM 1068 CG LEU 151 25.467 -10.998 -20.174 1.00 0.00 ATOM 1069 CD1 LEU 151 25.726 -12.447 -19.802 1.00 0.00 ATOM 1070 CD2 LEU 151 24.609 -10.914 -21.444 1.00 0.00 ATOM 1071 O LEU 151 27.268 -10.528 -16.902 1.00 0.00 ATOM 1072 C LEU 151 26.221 -9.895 -17.004 1.00 0.00 ATOM 1073 N ALA 152 26.097 -8.627 -16.607 1.00 0.00 ATOM 1074 CA ALA 152 27.227 -7.786 -16.157 1.00 0.00 ATOM 1075 CB ALA 152 26.861 -6.294 -16.303 1.00 0.00 ATOM 1076 O ALA 152 28.606 -7.514 -14.222 1.00 0.00 ATOM 1077 C ALA 152 27.637 -8.063 -14.708 1.00 0.00 ATOM 1078 N TYR 153 26.874 -8.891 -14.012 1.00 0.00 ATOM 1079 CA TYR 153 27.083 -9.104 -12.584 1.00 0.00 ATOM 1080 CB TYR 153 25.790 -9.613 -11.960 1.00 0.00 ATOM 1081 CG TYR 153 25.899 -9.857 -10.485 1.00 0.00 ATOM 1082 CD1 TYR 153 25.888 -8.801 -9.582 1.00 0.00 ATOM 1083 CD2 TYR 153 26.034 -11.147 -9.994 1.00 0.00 ATOM 1084 CE1 TYR 153 25.990 -9.032 -8.212 1.00 0.00 ATOM 1085 CE2 TYR 153 26.135 -11.391 -8.643 1.00 0.00 ATOM 1086 CZ TYR 153 26.123 -10.337 -7.757 1.00 0.00 ATOM 1087 OH TYR 153 26.230 -10.603 -6.411 1.00 0.00 ATOM 1088 O TYR 153 28.528 -10.916 -13.205 1.00 0.00 ATOM 1089 C TYR 153 28.237 -10.077 -12.348 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 T0322.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0322)M1.C and (T0322)D4.C only 0.000 apart, marking (T0322)D4.C as missing WARNING: atoms too close: (T0322)S2.N and (T0322)L5.N only 0.000 apart, marking (T0322)S2.N as missing WARNING: atoms too close: (T0322)S2.CA and (T0322)L5.CA only 0.000 apart, marking (T0322)S2.CA as missing WARNING: atoms too close: (T0322)A12.C and (T0322)P14.C only 0.000 apart, marking (T0322)P14.C as missing WARNING: atoms too close: (T0322)I13.N and (T0322)E15.N only 0.000 apart, marking (T0322)I13.N as missing WARNING: atoms too close: (T0322)I13.CA and (T0322)E15.CA only 0.000 apart, marking (T0322)I13.CA as missing WARNING: atoms too close: (T0322)N21.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)W22.N and (T0322)L33.N only 0.000 apart, marking (T0322)W22.N as missing WARNING: atoms too close: (T0322)W22.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)W22.CA as missing WARNING: atoms too close: (T0322)K99.C and (T0322)L100.C only 0.000 apart, marking (T0322)L100.C as missing WARNING: atoms too close: (T0322)L100.N and (T0322)G101.N only 0.000 apart, marking (T0322)L100.N as missing WARNING: atoms too close: (T0322)L100.CA and (T0322)G101.CA only 0.000 apart, marking (T0322)L100.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.810 # GDT_score = -63.380 # GDT_score(maxd=8.000,maxw=2.900)= -66.078 # GDT_score(maxd=8.000,maxw=3.200)= -63.660 # GDT_score(maxd=8.000,maxw=3.500)= -61.010 # GDT_score(maxd=10.000,maxw=3.800)= -62.631 # GDT_score(maxd=10.000,maxw=4.000)= -60.825 # GDT_score(maxd=10.000,maxw=4.200)= -58.932 # GDT_score(maxd=12.000,maxw=4.300)= -61.608 # GDT_score(maxd=12.000,maxw=4.500)= -59.756 # GDT_score(maxd=12.000,maxw=4.700)= -57.871 # GDT_score(maxd=14.000,maxw=5.200)= -56.306 # GDT_score(maxd=14.000,maxw=5.500)= -53.696 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0322)G31.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)P32.N and (T0322)L33.N only 0.000 apart, marking (T0322)P32.N as missing WARNING: atoms too close: (T0322)P32.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)P32.CA as missing WARNING: atoms too close: (T0322)Q80.C and (T0322)S82.C only 0.000 apart, marking (T0322)S82.C as missing WARNING: atoms too close: (T0322)K81.N and (T0322)Y83.N only 0.000 apart, marking (T0322)K81.N as missing WARNING: atoms too close: (T0322)K81.CA and (T0322)Y83.CA only 0.000 apart, marking (T0322)K81.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.817 # GDT_score = -64.437 # GDT_score(maxd=8.000,maxw=2.900)= -68.189 # GDT_score(maxd=8.000,maxw=3.200)= -65.309 # GDT_score(maxd=8.000,maxw=3.500)= -62.248 # GDT_score(maxd=10.000,maxw=3.800)= -64.057 # GDT_score(maxd=10.000,maxw=4.000)= -62.171 # GDT_score(maxd=10.000,maxw=4.200)= -60.303 # GDT_score(maxd=12.000,maxw=4.300)= -63.039 # GDT_score(maxd=12.000,maxw=4.500)= -61.232 # GDT_score(maxd=12.000,maxw=4.700)= -59.418 # GDT_score(maxd=14.000,maxw=5.200)= -57.961 # GDT_score(maxd=14.000,maxw=5.500)= -55.408 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0322)N21.C and (T0322)S23.C only 0.000 apart, marking (T0322)S23.C as missing WARNING: atoms too close: (T0322)W22.N and (T0322)R24.N only 0.000 apart, marking (T0322)W22.N as missing WARNING: atoms too close: (T0322)W22.CA and (T0322)R24.CA only 0.000 apart, marking (T0322)W22.CA as missing WARNING: atoms too close: (T0322)G31.C and (T0322)P32.C only 0.000 apart, marking (T0322)P32.C as missing WARNING: atoms too close: (T0322)P32.N and (T0322)L33.N only 0.000 apart, marking (T0322)P32.N as missing WARNING: atoms too close: (T0322)P32.CA and (T0322)L33.CA only 0.000 apart, marking (T0322)P32.CA as missing WARNING: atoms too close: (T0322)G101.C and (T0322)D102.C only 0.000 apart, marking (T0322)D102.C as missing WARNING: atoms too close: (T0322)D102.N and (T0322)W103.N only 0.000 apart, marking (T0322)D102.N as missing WARNING: atoms too close: (T0322)D102.CA and (T0322)W103.CA only 0.000 apart, marking (T0322)D102.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0322.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0322 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 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0322.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr322.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 Faking rotamer for incomplete or colinear backbone at (T0322)A157 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0322.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-tr322-2fs2A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-tr322-2fs2A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try1-2fs2A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-2fs2A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try1-2fs2A.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try1-2fs2A.unpack # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1295638656.pdb -s /var/tmp/to_scwrl_1295638656.seq -o /var/tmp/from_scwrl_1295638656.pdb > /var/tmp/scwrl_1295638656.log sh: /var/tmp/scwrl_1295638656.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1295638656.pdb or /var/tmp/from_scwrl_1295638656.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1295638656_b.pdb or decoys//var/tmp/from_scwrl_1295638656_b.pdb.gz for input Trying /var/tmp/from_scwrl_1295638656_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1295638656_b.pdb or /var/tmp/from_scwrl_1295638656_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1295638656_a.pdb or decoys//var/tmp/from_scwrl_1295638656_a.pdb.gz for input Trying /var/tmp/from_scwrl_1295638656_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1295638656_a.pdb or /var/tmp/from_scwrl_1295638656_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1295638656.pdb or /var/tmp/from_scwrl_1295638656_b.pdb or /var/tmp/from_scwrl_1295638656_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_175039016.pdb -s /var/tmp/to_scwrl_175039016.seq -o /var/tmp/from_scwrl_175039016.pdb > /var/tmp/scwrl_175039016.log Error: Couldn't open file /var/tmp/from_scwrl_175039016.pdb or /var/tmp/from_scwrl_175039016.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175039016_b.pdb or decoys//var/tmp/from_scwrl_175039016_b.pdb.gz for input Trying /var/tmp/from_scwrl_175039016_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_175039016_b.pdb or /var/tmp/from_scwrl_175039016_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175039016_a.pdb or decoys//var/tmp/from_scwrl_175039016_a.pdb.gz for input Trying /var/tmp/from_scwrl_175039016_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_175039016_a.pdb or /var/tmp/from_scwrl_175039016_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_175039016.pdb or /var/tmp/from_scwrl_175039016_b.pdb or /var/tmp/from_scwrl_175039016_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_97164160.pdb -s /var/tmp/to_scwrl_97164160.seq -o /var/tmp/from_scwrl_97164160.pdb > /var/tmp/scwrl_97164160.log sh: /var/tmp/scwrl_97164160.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_97164160.pdb or /var/tmp/from_scwrl_97164160.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_97164160_b.pdb or decoys//var/tmp/from_scwrl_97164160_b.pdb.gz for input Trying /var/tmp/from_scwrl_97164160_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_97164160_b.pdb or /var/tmp/from_scwrl_97164160_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_97164160_a.pdb or decoys//var/tmp/from_scwrl_97164160_a.pdb.gz for input Trying /var/tmp/from_scwrl_97164160_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_97164160_a.pdb or /var/tmp/from_scwrl_97164160_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_97164160.pdb or /var/tmp/from_scwrl_97164160_b.pdb or /var/tmp/from_scwrl_97164160_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1444848518.pdb -s /var/tmp/to_scwrl_1444848518.seq -o /var/tmp/from_scwrl_1444848518.pdb > /var/tmp/scwrl_1444848518.log sh: /var/tmp/scwrl_1444848518.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1444848518.pdb or /var/tmp/from_scwrl_1444848518.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1444848518_b.pdb or decoys//var/tmp/from_scwrl_1444848518_b.pdb.gz for input Trying /var/tmp/from_scwrl_1444848518_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1444848518_b.pdb or /var/tmp/from_scwrl_1444848518_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1444848518_a.pdb or decoys//var/tmp/from_scwrl_1444848518_a.pdb.gz for input Trying /var/tmp/from_scwrl_1444848518_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1444848518_a.pdb or /var/tmp/from_scwrl_1444848518_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1444848518.pdb or /var/tmp/from_scwrl_1444848518_b.pdb or /var/tmp/from_scwrl_1444848518_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_633573546.pdb -s /var/tmp/to_scwrl_633573546.seq -o /var/tmp/from_scwrl_633573546.pdb > /var/tmp/scwrl_633573546.log sh: /var/tmp/scwrl_633573546.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_633573546.pdb or /var/tmp/from_scwrl_633573546.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_633573546_b.pdb or decoys//var/tmp/from_scwrl_633573546_b.pdb.gz for input Trying /var/tmp/from_scwrl_633573546_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_633573546_b.pdb or /var/tmp/from_scwrl_633573546_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_633573546_a.pdb or decoys//var/tmp/from_scwrl_633573546_a.pdb.gz for input Trying /var/tmp/from_scwrl_633573546_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_633573546_a.pdb or /var/tmp/from_scwrl_633573546_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_633573546.pdb or /var/tmp/from_scwrl_633573546_b.pdb or /var/tmp/from_scwrl_633573546_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_602296778.pdb -s /var/tmp/to_scwrl_602296778.seq -o /var/tmp/from_scwrl_602296778.pdb > /var/tmp/scwrl_602296778.log sh: /var/tmp/scwrl_602296778.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_602296778.pdb or /var/tmp/from_scwrl_602296778.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_602296778_b.pdb or decoys//var/tmp/from_scwrl_602296778_b.pdb.gz for input Trying /var/tmp/from_scwrl_602296778_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_602296778_b.pdb or /var/tmp/from_scwrl_602296778_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_602296778_a.pdb or decoys//var/tmp/from_scwrl_602296778_a.pdb.gz for input Trying /var/tmp/from_scwrl_602296778_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_602296778_a.pdb or /var/tmp/from_scwrl_602296778_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_602296778.pdb or /var/tmp/from_scwrl_602296778_b.pdb or /var/tmp/from_scwrl_602296778_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_24718571.pdb -s /var/tmp/to_scwrl_24718571.seq -o /var/tmp/from_scwrl_24718571.pdb > /var/tmp/scwrl_24718571.log sh: /var/tmp/scwrl_24718571.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_24718571.pdb or /var/tmp/from_scwrl_24718571.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24718571_b.pdb or decoys//var/tmp/from_scwrl_24718571_b.pdb.gz for input Trying /var/tmp/from_scwrl_24718571_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_24718571_b.pdb or /var/tmp/from_scwrl_24718571_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24718571_a.pdb or decoys//var/tmp/from_scwrl_24718571_a.pdb.gz for input Trying /var/tmp/from_scwrl_24718571_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_24718571_a.pdb or /var/tmp/from_scwrl_24718571_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_24718571.pdb or /var/tmp/from_scwrl_24718571_b.pdb or /var/tmp/from_scwrl_24718571_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1527476276.pdb -s /var/tmp/to_scwrl_1527476276.seq -o /var/tmp/from_scwrl_1527476276.pdb > /var/tmp/scwrl_1527476276.log sh: /var/tmp/scwrl_1527476276.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1527476276.pdb or /var/tmp/from_scwrl_1527476276.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1527476276_b.pdb or decoys//var/tmp/from_scwrl_1527476276_b.pdb.gz for input Trying /var/tmp/from_scwrl_1527476276_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1527476276_b.pdb or /var/tmp/from_scwrl_1527476276_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1527476276_a.pdb or decoys//var/tmp/from_scwrl_1527476276_a.pdb.gz for input Trying /var/tmp/from_scwrl_1527476276_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1527476276_a.pdb or /var/tmp/from_scwrl_1527476276_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1527476276.pdb or /var/tmp/from_scwrl_1527476276_b.pdb or /var/tmp/from_scwrl_1527476276_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_531645483.pdb -s /var/tmp/to_scwrl_531645483.seq -o /var/tmp/from_scwrl_531645483.pdb > /var/tmp/scwrl_531645483.log sh: /var/tmp/scwrl_531645483.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_531645483.pdb or /var/tmp/from_scwrl_531645483.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_531645483_b.pdb or decoys//var/tmp/from_scwrl_531645483_b.pdb.gz for input Trying /var/tmp/from_scwrl_531645483_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_531645483_b.pdb or /var/tmp/from_scwrl_531645483_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_531645483_a.pdb or decoys//var/tmp/from_scwrl_531645483_a.pdb.gz for input Trying /var/tmp/from_scwrl_531645483_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_531645483_a.pdb or /var/tmp/from_scwrl_531645483_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_531645483.pdb or /var/tmp/from_scwrl_531645483_b.pdb or /var/tmp/from_scwrl_531645483_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_382961279.pdb -s /var/tmp/to_scwrl_382961279.seq -o /var/tmp/from_scwrl_382961279.pdb > /var/tmp/scwrl_382961279.log sh: /var/tmp/scwrl_382961279.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_382961279.pdb or /var/tmp/from_scwrl_382961279.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_382961279_b.pdb or decoys//var/tmp/from_scwrl_382961279_b.pdb.gz for input Trying /var/tmp/from_scwrl_382961279_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_382961279_b.pdb or /var/tmp/from_scwrl_382961279_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_382961279_a.pdb or decoys//var/tmp/from_scwrl_382961279_a.pdb.gz for input Trying /var/tmp/from_scwrl_382961279_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_382961279_a.pdb or /var/tmp/from_scwrl_382961279_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_382961279.pdb or /var/tmp/from_scwrl_382961279_b.pdb or /var/tmp/from_scwrl_382961279_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2113615872.pdb -s /var/tmp/to_scwrl_2113615872.seq -o /var/tmp/from_scwrl_2113615872.pdb > /var/tmp/scwrl_2113615872.log sh: /var/tmp/scwrl_2113615872.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2113615872.pdb or /var/tmp/from_scwrl_2113615872.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2113615872_b.pdb or decoys//var/tmp/from_scwrl_2113615872_b.pdb.gz for input Trying /var/tmp/from_scwrl_2113615872_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2113615872_b.pdb or /var/tmp/from_scwrl_2113615872_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2113615872_a.pdb or decoys//var/tmp/from_scwrl_2113615872_a.pdb.gz for input Trying /var/tmp/from_scwrl_2113615872_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2113615872_a.pdb or /var/tmp/from_scwrl_2113615872_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2113615872.pdb or /var/tmp/from_scwrl_2113615872_b.pdb or /var/tmp/from_scwrl_2113615872_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_352275963.pdb -s /var/tmp/to_scwrl_352275963.seq -o /var/tmp/from_scwrl_352275963.pdb > /var/tmp/scwrl_352275963.log sh: /var/tmp/scwrl_352275963.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_352275963.pdb or /var/tmp/from_scwrl_352275963.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_352275963_b.pdb or decoys//var/tmp/from_scwrl_352275963_b.pdb.gz for input Trying /var/tmp/from_scwrl_352275963_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_352275963_b.pdb or /var/tmp/from_scwrl_352275963_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_352275963_a.pdb or decoys//var/tmp/from_scwrl_352275963_a.pdb.gz for input Trying /var/tmp/from_scwrl_352275963_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_352275963_a.pdb or /var/tmp/from_scwrl_352275963_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_352275963.pdb or /var/tmp/from_scwrl_352275963_b.pdb or /var/tmp/from_scwrl_352275963_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1899654699.pdb -s /var/tmp/to_scwrl_1899654699.seq -o /var/tmp/from_scwrl_1899654699.pdb > /var/tmp/scwrl_1899654699.log sh: /var/tmp/scwrl_1899654699.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1899654699.pdb or /var/tmp/from_scwrl_1899654699.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1899654699_b.pdb or decoys//var/tmp/from_scwrl_1899654699_b.pdb.gz for input Trying /var/tmp/from_scwrl_1899654699_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1899654699_b.pdb or /var/tmp/from_scwrl_1899654699_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1899654699_a.pdb or decoys//var/tmp/from_scwrl_1899654699_a.pdb.gz for input Trying /var/tmp/from_scwrl_1899654699_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1899654699_a.pdb or /var/tmp/from_scwrl_1899654699_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1899654699.pdb or /var/tmp/from_scwrl_1899654699_b.pdb or /var/tmp/from_scwrl_1899654699_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1959625197.pdb -s /var/tmp/to_scwrl_1959625197.seq -o /var/tmp/from_scwrl_1959625197.pdb > /var/tmp/scwrl_1959625197.log sh: /var/tmp/scwrl_1959625197.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1959625197.pdb or /var/tmp/from_scwrl_1959625197.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1959625197_b.pdb or decoys//var/tmp/from_scwrl_1959625197_b.pdb.gz for input Trying /var/tmp/from_scwrl_1959625197_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1959625197_b.pdb or /var/tmp/from_scwrl_1959625197_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1959625197_a.pdb or decoys//var/tmp/from_scwrl_1959625197_a.pdb.gz for input Trying /var/tmp/from_scwrl_1959625197_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1959625197_a.pdb or /var/tmp/from_scwrl_1959625197_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1959625197.pdb or /var/tmp/from_scwrl_1959625197_b.pdb or /var/tmp/from_scwrl_1959625197_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 T0322 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1377867207.pdb -s /var/tmp/to_scwrl_1377867207.seq -o /var/tmp/from_scwrl_1377867207.pdb > /var/tmp/scwrl_1377867207.log sh: /var/tmp/scwrl_1377867207.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1377867207.pdb or /var/tmp/from_scwrl_1377867207.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1377867207_b.pdb or decoys//var/tmp/from_scwrl_1377867207_b.pdb.gz for input Trying /var/tmp/from_scwrl_1377867207_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1377867207_b.pdb or /var/tmp/from_scwrl_1377867207_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1377867207_a.pdb or decoys//var/tmp/from_scwrl_1377867207_a.pdb.gz for input Trying /var/tmp/from_scwrl_1377867207_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1377867207_a.pdb or /var/tmp/from_scwrl_1377867207_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1377867207.pdb or /var/tmp/from_scwrl_1377867207_b.pdb or /var/tmp/from_scwrl_1377867207_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_810772515.pdb -s /var/tmp/to_scwrl_810772515.seq -o /var/tmp/from_scwrl_810772515.pdb > /var/tmp/scwrl_810772515.log sh: /var/tmp/scwrl_810772515.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_810772515.pdb or /var/tmp/from_scwrl_810772515.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_810772515_b.pdb or decoys//var/tmp/from_scwrl_810772515_b.pdb.gz for input Trying /var/tmp/from_scwrl_810772515_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_810772515_b.pdb or /var/tmp/from_scwrl_810772515_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_810772515_a.pdb or decoys//var/tmp/from_scwrl_810772515_a.pdb.gz for input Trying /var/tmp/from_scwrl_810772515_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_810772515_a.pdb or /var/tmp/from_scwrl_810772515_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_810772515.pdb or /var/tmp/from_scwrl_810772515_b.pdb or /var/tmp/from_scwrl_810772515_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 130 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_896344422.pdb -s /var/tmp/to_scwrl_896344422.seq -o /var/tmp/from_scwrl_896344422.pdb > /var/tmp/scwrl_896344422.log sh: /var/tmp/scwrl_896344422.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_896344422.pdb or /var/tmp/from_scwrl_896344422.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_896344422_b.pdb or decoys//var/tmp/from_scwrl_896344422_b.pdb.gz for input Trying /var/tmp/from_scwrl_896344422_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_896344422_b.pdb or /var/tmp/from_scwrl_896344422_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_896344422_a.pdb or decoys//var/tmp/from_scwrl_896344422_a.pdb.gz for input Trying /var/tmp/from_scwrl_896344422_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_896344422_a.pdb or /var/tmp/from_scwrl_896344422_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_896344422.pdb or /var/tmp/from_scwrl_896344422_b.pdb or /var/tmp/from_scwrl_896344422_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_763110114.pdb -s /var/tmp/to_scwrl_763110114.seq -o /var/tmp/from_scwrl_763110114.pdb > /var/tmp/scwrl_763110114.log sh: /var/tmp/scwrl_763110114.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_763110114.pdb or /var/tmp/from_scwrl_763110114.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_763110114_b.pdb or decoys//var/tmp/from_scwrl_763110114_b.pdb.gz for input Trying /var/tmp/from_scwrl_763110114_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_763110114_b.pdb or /var/tmp/from_scwrl_763110114_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_763110114_a.pdb or decoys//var/tmp/from_scwrl_763110114_a.pdb.gz for input Trying /var/tmp/from_scwrl_763110114_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_763110114_a.pdb or /var/tmp/from_scwrl_763110114_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_763110114.pdb or /var/tmp/from_scwrl_763110114_b.pdb or /var/tmp/from_scwrl_763110114_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2070216790.pdb -s /var/tmp/to_scwrl_2070216790.seq -o /var/tmp/from_scwrl_2070216790.pdb > /var/tmp/scwrl_2070216790.log sh: /var/tmp/scwrl_2070216790.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2070216790.pdb or /var/tmp/from_scwrl_2070216790.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2070216790_b.pdb or decoys//var/tmp/from_scwrl_2070216790_b.pdb.gz for input Trying /var/tmp/from_scwrl_2070216790_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2070216790_b.pdb or /var/tmp/from_scwrl_2070216790_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2070216790_a.pdb or decoys//var/tmp/from_scwrl_2070216790_a.pdb.gz for input Trying /var/tmp/from_scwrl_2070216790_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2070216790_a.pdb or /var/tmp/from_scwrl_2070216790_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2070216790.pdb or /var/tmp/from_scwrl_2070216790_b.pdb or /var/tmp/from_scwrl_2070216790_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 100 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1528304699.pdb -s /var/tmp/to_scwrl_1528304699.seq -o /var/tmp/from_scwrl_1528304699.pdb > /var/tmp/scwrl_1528304699.log sh: /var/tmp/scwrl_1528304699.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1528304699.pdb or /var/tmp/from_scwrl_1528304699.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1528304699_b.pdb or decoys//var/tmp/from_scwrl_1528304699_b.pdb.gz for input Trying /var/tmp/from_scwrl_1528304699_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1528304699_b.pdb or /var/tmp/from_scwrl_1528304699_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1528304699_a.pdb or decoys//var/tmp/from_scwrl_1528304699_a.pdb.gz for input Trying /var/tmp/from_scwrl_1528304699_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1528304699_a.pdb or /var/tmp/from_scwrl_1528304699_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1528304699.pdb or /var/tmp/from_scwrl_1528304699_b.pdb or /var/tmp/from_scwrl_1528304699_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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_799044189.pdb -s /var/tmp/to_scwrl_799044189.seq -o /var/tmp/from_scwrl_799044189.pdb > /var/tmp/scwrl_799044189.log sh: /var/tmp/scwrl_799044189.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_799044189.pdb or /var/tmp/from_scwrl_799044189.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_799044189_b.pdb or decoys//var/tmp/from_scwrl_799044189_b.pdb.gz for input Trying /var/tmp/from_scwrl_799044189_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_799044189_b.pdb or /var/tmp/from_scwrl_799044189_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_799044189_a.pdb or decoys//var/tmp/from_scwrl_799044189_a.pdb.gz for input Trying /var/tmp/from_scwrl_799044189_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_799044189_a.pdb or /var/tmp/from_scwrl_799044189_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_799044189.pdb or /var/tmp/from_scwrl_799044189_b.pdb or /var/tmp/from_scwrl_799044189_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 145 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_230067222.pdb -s /var/tmp/to_scwrl_230067222.seq -o /var/tmp/from_scwrl_230067222.pdb > /var/tmp/scwrl_230067222.log sh: /var/tmp/scwrl_230067222.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_230067222.pdb or /var/tmp/from_scwrl_230067222.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_230067222_b.pdb or decoys//var/tmp/from_scwrl_230067222_b.pdb.gz for input Trying /var/tmp/from_scwrl_230067222_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_230067222_b.pdb or /var/tmp/from_scwrl_230067222_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_230067222_a.pdb or decoys//var/tmp/from_scwrl_230067222_a.pdb.gz for input Trying /var/tmp/from_scwrl_230067222_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_230067222_a.pdb or /var/tmp/from_scwrl_230067222_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_230067222.pdb or /var/tmp/from_scwrl_230067222_b.pdb or /var/tmp/from_scwrl_230067222_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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1201082390.pdb -s /var/tmp/to_scwrl_1201082390.seq -o /var/tmp/from_scwrl_1201082390.pdb > /var/tmp/scwrl_1201082390.log sh: /var/tmp/scwrl_1201082390.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1201082390.pdb or /var/tmp/from_scwrl_1201082390.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1201082390_b.pdb or decoys//var/tmp/from_scwrl_1201082390_b.pdb.gz for input Trying /var/tmp/from_scwrl_1201082390_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1201082390_b.pdb or /var/tmp/from_scwrl_1201082390_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1201082390_a.pdb or decoys//var/tmp/from_scwrl_1201082390_a.pdb.gz for input Trying /var/tmp/from_scwrl_1201082390_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1201082390_a.pdb or /var/tmp/from_scwrl_1201082390_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1201082390.pdb or /var/tmp/from_scwrl_1201082390_b.pdb or /var/tmp/from_scwrl_1201082390_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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1904484112.pdb -s /var/tmp/to_scwrl_1904484112.seq -o /var/tmp/from_scwrl_1904484112.pdb > /var/tmp/scwrl_1904484112.log sh: /var/tmp/scwrl_1904484112.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1904484112.pdb or /var/tmp/from_scwrl_1904484112.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1904484112_b.pdb or decoys//var/tmp/from_scwrl_1904484112_b.pdb.gz for input Trying /var/tmp/from_scwrl_1904484112_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1904484112_b.pdb or /var/tmp/from_scwrl_1904484112_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1904484112_a.pdb or decoys//var/tmp/from_scwrl_1904484112_a.pdb.gz for input Trying /var/tmp/from_scwrl_1904484112_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1904484112_a.pdb or /var/tmp/from_scwrl_1904484112_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1904484112.pdb or /var/tmp/from_scwrl_1904484112_b.pdb or /var/tmp/from_scwrl_1904484112_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 153 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1308735407.pdb -s /var/tmp/to_scwrl_1308735407.seq -o /var/tmp/from_scwrl_1308735407.pdb > /var/tmp/scwrl_1308735407.log sh: /var/tmp/scwrl_1308735407.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1308735407.pdb or /var/tmp/from_scwrl_1308735407.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1308735407_b.pdb or decoys//var/tmp/from_scwrl_1308735407_b.pdb.gz for input Trying /var/tmp/from_scwrl_1308735407_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1308735407_b.pdb or /var/tmp/from_scwrl_1308735407_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1308735407_a.pdb or decoys//var/tmp/from_scwrl_1308735407_a.pdb.gz for input Trying /var/tmp/from_scwrl_1308735407_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1308735407_a.pdb or /var/tmp/from_scwrl_1308735407_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1308735407.pdb or /var/tmp/from_scwrl_1308735407_b.pdb or /var/tmp/from_scwrl_1308735407_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_365626018.pdb -s /var/tmp/to_scwrl_365626018.seq -o /var/tmp/from_scwrl_365626018.pdb > /var/tmp/scwrl_365626018.log sh: /var/tmp/scwrl_365626018.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_365626018.pdb or /var/tmp/from_scwrl_365626018.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_365626018_b.pdb or decoys//var/tmp/from_scwrl_365626018_b.pdb.gz for input Trying /var/tmp/from_scwrl_365626018_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_365626018_b.pdb or /var/tmp/from_scwrl_365626018_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_365626018_a.pdb or decoys//var/tmp/from_scwrl_365626018_a.pdb.gz for input Trying /var/tmp/from_scwrl_365626018_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_365626018_a.pdb or /var/tmp/from_scwrl_365626018_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_365626018.pdb or /var/tmp/from_scwrl_365626018_b.pdb or /var/tmp/from_scwrl_365626018_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 103 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_994904044.pdb -s /var/tmp/to_scwrl_994904044.seq -o /var/tmp/from_scwrl_994904044.pdb > /var/tmp/scwrl_994904044.log sh: /var/tmp/scwrl_994904044.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_994904044.pdb or /var/tmp/from_scwrl_994904044.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_994904044_b.pdb or decoys//var/tmp/from_scwrl_994904044_b.pdb.gz for input Trying /var/tmp/from_scwrl_994904044_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_994904044_b.pdb or /var/tmp/from_scwrl_994904044_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_994904044_a.pdb or decoys//var/tmp/from_scwrl_994904044_a.pdb.gz for input Trying /var/tmp/from_scwrl_994904044_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_994904044_a.pdb or /var/tmp/from_scwrl_994904044_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_994904044.pdb or /var/tmp/from_scwrl_994904044_b.pdb or /var/tmp/from_scwrl_994904044_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1805735089.pdb -s /var/tmp/to_scwrl_1805735089.seq -o /var/tmp/from_scwrl_1805735089.pdb > /var/tmp/scwrl_1805735089.log sh: /var/tmp/scwrl_1805735089.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1805735089.pdb or /var/tmp/from_scwrl_1805735089.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1805735089_b.pdb or decoys//var/tmp/from_scwrl_1805735089_b.pdb.gz for input Trying /var/tmp/from_scwrl_1805735089_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1805735089_b.pdb or /var/tmp/from_scwrl_1805735089_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1805735089_a.pdb or decoys//var/tmp/from_scwrl_1805735089_a.pdb.gz for input Trying /var/tmp/from_scwrl_1805735089_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1805735089_a.pdb or /var/tmp/from_scwrl_1805735089_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1805735089.pdb or /var/tmp/from_scwrl_1805735089_b.pdb or /var/tmp/from_scwrl_1805735089_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1622197459.pdb -s /var/tmp/to_scwrl_1622197459.seq -o /var/tmp/from_scwrl_1622197459.pdb > /var/tmp/scwrl_1622197459.log sh: /var/tmp/scwrl_1622197459.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1622197459.pdb or /var/tmp/from_scwrl_1622197459.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1622197459_b.pdb or decoys//var/tmp/from_scwrl_1622197459_b.pdb.gz for input Trying /var/tmp/from_scwrl_1622197459_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1622197459_b.pdb or /var/tmp/from_scwrl_1622197459_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1622197459_a.pdb or decoys//var/tmp/from_scwrl_1622197459_a.pdb.gz for input Trying /var/tmp/from_scwrl_1622197459_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1622197459_a.pdb or /var/tmp/from_scwrl_1622197459_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1622197459.pdb or /var/tmp/from_scwrl_1622197459_b.pdb or /var/tmp/from_scwrl_1622197459_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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1422835753.pdb -s /var/tmp/to_scwrl_1422835753.seq -o /var/tmp/from_scwrl_1422835753.pdb > /var/tmp/scwrl_1422835753.log sh: /var/tmp/scwrl_1422835753.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1422835753.pdb or /var/tmp/from_scwrl_1422835753.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1422835753_b.pdb or decoys//var/tmp/from_scwrl_1422835753_b.pdb.gz for input Trying /var/tmp/from_scwrl_1422835753_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1422835753_b.pdb or /var/tmp/from_scwrl_1422835753_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1422835753_a.pdb or decoys//var/tmp/from_scwrl_1422835753_a.pdb.gz for input Trying /var/tmp/from_scwrl_1422835753_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1422835753_a.pdb or /var/tmp/from_scwrl_1422835753_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1422835753.pdb or /var/tmp/from_scwrl_1422835753_b.pdb or /var/tmp/from_scwrl_1422835753_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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1247876591.pdb -s /var/tmp/to_scwrl_1247876591.seq -o /var/tmp/from_scwrl_1247876591.pdb > /var/tmp/scwrl_1247876591.log sh: /var/tmp/scwrl_1247876591.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1247876591.pdb or /var/tmp/from_scwrl_1247876591.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1247876591_b.pdb or decoys//var/tmp/from_scwrl_1247876591_b.pdb.gz for input Trying /var/tmp/from_scwrl_1247876591_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1247876591_b.pdb or /var/tmp/from_scwrl_1247876591_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1247876591_a.pdb or decoys//var/tmp/from_scwrl_1247876591_a.pdb.gz for input Trying /var/tmp/from_scwrl_1247876591_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1247876591_a.pdb or /var/tmp/from_scwrl_1247876591_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1247876591.pdb or /var/tmp/from_scwrl_1247876591_b.pdb or /var/tmp/from_scwrl_1247876591_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 T0322 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_770352469.pdb -s /var/tmp/to_scwrl_770352469.seq -o /var/tmp/from_scwrl_770352469.pdb > /var/tmp/scwrl_770352469.log sh: /var/tmp/scwrl_770352469.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_770352469.pdb or /var/tmp/from_scwrl_770352469.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_770352469_b.pdb or decoys//var/tmp/from_scwrl_770352469_b.pdb.gz for input Trying /var/tmp/from_scwrl_770352469_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_770352469_b.pdb or /var/tmp/from_scwrl_770352469_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_770352469_a.pdb or decoys//var/tmp/from_scwrl_770352469_a.pdb.gz for input Trying /var/tmp/from_scwrl_770352469_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_770352469_a.pdb or /var/tmp/from_scwrl_770352469_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_770352469.pdb or /var/tmp/from_scwrl_770352469_b.pdb or /var/tmp/from_scwrl_770352469_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1597874769.pdb -s /var/tmp/to_scwrl_1597874769.seq -o /var/tmp/from_scwrl_1597874769.pdb > /var/tmp/scwrl_1597874769.log sh: /var/tmp/scwrl_1597874769.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1597874769.pdb or /var/tmp/from_scwrl_1597874769.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1597874769_b.pdb or decoys//var/tmp/from_scwrl_1597874769_b.pdb.gz for input Trying /var/tmp/from_scwrl_1597874769_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1597874769_b.pdb or /var/tmp/from_scwrl_1597874769_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1597874769_a.pdb or decoys//var/tmp/from_scwrl_1597874769_a.pdb.gz for input Trying /var/tmp/from_scwrl_1597874769_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1597874769_a.pdb or /var/tmp/from_scwrl_1597874769_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1597874769.pdb or /var/tmp/from_scwrl_1597874769_b.pdb or /var/tmp/from_scwrl_1597874769_a.pdb Error: no new SCWRL conformation added # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1345040752.pdb -s /var/tmp/to_scwrl_1345040752.seq -o /var/tmp/from_scwrl_1345040752.pdb > /var/tmp/scwrl_1345040752.log sh: /var/tmp/scwrl_1345040752.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1345040752.pdb or /var/tmp/from_scwrl_1345040752.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1345040752_b.pdb or decoys//var/tmp/from_scwrl_1345040752_b.pdb.gz for input Trying /var/tmp/from_scwrl_1345040752_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1345040752_b.pdb or /var/tmp/from_scwrl_1345040752_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1345040752_a.pdb or decoys//var/tmp/from_scwrl_1345040752_a.pdb.gz for input Trying /var/tmp/from_scwrl_1345040752_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1345040752_a.pdb or /var/tmp/from_scwrl_1345040752_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1345040752.pdb or /var/tmp/from_scwrl_1345040752_b.pdb or /var/tmp/from_scwrl_1345040752_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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_67717340.pdb -s /var/tmp/to_scwrl_67717340.seq -o /var/tmp/from_scwrl_67717340.pdb > /var/tmp/scwrl_67717340.log sh: /var/tmp/scwrl_67717340.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_67717340.pdb or /var/tmp/from_scwrl_67717340.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_67717340_b.pdb or decoys//var/tmp/from_scwrl_67717340_b.pdb.gz for input Trying /var/tmp/from_scwrl_67717340_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_67717340_b.pdb or /var/tmp/from_scwrl_67717340_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_67717340_a.pdb or decoys//var/tmp/from_scwrl_67717340_a.pdb.gz for input Trying /var/tmp/from_scwrl_67717340_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_67717340_a.pdb or /var/tmp/from_scwrl_67717340_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_67717340.pdb or /var/tmp/from_scwrl_67717340_b.pdb or /var/tmp/from_scwrl_67717340_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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_83964668.pdb -s /var/tmp/to_scwrl_83964668.seq -o /var/tmp/from_scwrl_83964668.pdb > /var/tmp/scwrl_83964668.log sh: /var/tmp/scwrl_83964668.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_83964668.pdb or /var/tmp/from_scwrl_83964668.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_83964668_b.pdb or decoys//var/tmp/from_scwrl_83964668_b.pdb.gz for input Trying /var/tmp/from_scwrl_83964668_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_83964668_b.pdb or /var/tmp/from_scwrl_83964668_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_83964668_a.pdb or decoys//var/tmp/from_scwrl_83964668_a.pdb.gz for input Trying /var/tmp/from_scwrl_83964668_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_83964668_a.pdb or /var/tmp/from_scwrl_83964668_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_83964668.pdb or /var/tmp/from_scwrl_83964668_b.pdb or /var/tmp/from_scwrl_83964668_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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1947337530.pdb -s /var/tmp/to_scwrl_1947337530.seq -o /var/tmp/from_scwrl_1947337530.pdb > /var/tmp/scwrl_1947337530.log sh: /var/tmp/scwrl_1947337530.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1947337530.pdb or /var/tmp/from_scwrl_1947337530.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1947337530_b.pdb or decoys//var/tmp/from_scwrl_1947337530_b.pdb.gz for input Trying /var/tmp/from_scwrl_1947337530_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1947337530_b.pdb or /var/tmp/from_scwrl_1947337530_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1947337530_a.pdb or decoys//var/tmp/from_scwrl_1947337530_a.pdb.gz for input Trying /var/tmp/from_scwrl_1947337530_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1947337530_a.pdb or /var/tmp/from_scwrl_1947337530_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1947337530.pdb or /var/tmp/from_scwrl_1947337530_b.pdb or /var/tmp/from_scwrl_1947337530_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 T0322 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_92435911.pdb -s /var/tmp/to_scwrl_92435911.seq -o /var/tmp/from_scwrl_92435911.pdb > /var/tmp/scwrl_92435911.log sh: /var/tmp/scwrl_92435911.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_92435911.pdb or /var/tmp/from_scwrl_92435911.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_92435911_b.pdb or decoys//var/tmp/from_scwrl_92435911_b.pdb.gz for input Trying /var/tmp/from_scwrl_92435911_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_92435911_b.pdb or /var/tmp/from_scwrl_92435911_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_92435911_a.pdb or decoys//var/tmp/from_scwrl_92435911_a.pdb.gz for input Trying /var/tmp/from_scwrl_92435911_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_92435911_a.pdb or /var/tmp/from_scwrl_92435911_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_92435911.pdb or /var/tmp/from_scwrl_92435911_b.pdb or /var/tmp/from_scwrl_92435911_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1611440945.pdb -s /var/tmp/to_scwrl_1611440945.seq -o /var/tmp/from_scwrl_1611440945.pdb > /var/tmp/scwrl_1611440945.log sh: /var/tmp/scwrl_1611440945.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1611440945.pdb or /var/tmp/from_scwrl_1611440945.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1611440945_b.pdb or decoys//var/tmp/from_scwrl_1611440945_b.pdb.gz for input Trying /var/tmp/from_scwrl_1611440945_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1611440945_b.pdb or /var/tmp/from_scwrl_1611440945_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1611440945_a.pdb or decoys//var/tmp/from_scwrl_1611440945_a.pdb.gz for input Trying /var/tmp/from_scwrl_1611440945_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1611440945_a.pdb or /var/tmp/from_scwrl_1611440945_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1611440945.pdb or /var/tmp/from_scwrl_1611440945_b.pdb or /var/tmp/from_scwrl_1611440945_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_331499366.pdb -s /var/tmp/to_scwrl_331499366.seq -o /var/tmp/from_scwrl_331499366.pdb > /var/tmp/scwrl_331499366.log sh: /var/tmp/scwrl_331499366.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_331499366.pdb or /var/tmp/from_scwrl_331499366.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_331499366_b.pdb or decoys//var/tmp/from_scwrl_331499366_b.pdb.gz for input Trying /var/tmp/from_scwrl_331499366_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_331499366_b.pdb or /var/tmp/from_scwrl_331499366_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_331499366_a.pdb or decoys//var/tmp/from_scwrl_331499366_a.pdb.gz for input Trying /var/tmp/from_scwrl_331499366_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_331499366_a.pdb or /var/tmp/from_scwrl_331499366_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_331499366.pdb or /var/tmp/from_scwrl_331499366_b.pdb or /var/tmp/from_scwrl_331499366_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_475397190.pdb -s /var/tmp/to_scwrl_475397190.seq -o /var/tmp/from_scwrl_475397190.pdb > /var/tmp/scwrl_475397190.log sh: /var/tmp/scwrl_475397190.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_475397190.pdb or /var/tmp/from_scwrl_475397190.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_475397190_b.pdb or decoys//var/tmp/from_scwrl_475397190_b.pdb.gz for input Trying /var/tmp/from_scwrl_475397190_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_475397190_b.pdb or /var/tmp/from_scwrl_475397190_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_475397190_a.pdb or decoys//var/tmp/from_scwrl_475397190_a.pdb.gz for input Trying /var/tmp/from_scwrl_475397190_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_475397190_a.pdb or /var/tmp/from_scwrl_475397190_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_475397190.pdb or /var/tmp/from_scwrl_475397190_b.pdb or /var/tmp/from_scwrl_475397190_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1577573170.pdb -s /var/tmp/to_scwrl_1577573170.seq -o /var/tmp/from_scwrl_1577573170.pdb > /var/tmp/scwrl_1577573170.log sh: /var/tmp/scwrl_1577573170.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1577573170.pdb or /var/tmp/from_scwrl_1577573170.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1577573170_b.pdb or decoys//var/tmp/from_scwrl_1577573170_b.pdb.gz for input Trying /var/tmp/from_scwrl_1577573170_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1577573170_b.pdb or /var/tmp/from_scwrl_1577573170_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1577573170_a.pdb or decoys//var/tmp/from_scwrl_1577573170_a.pdb.gz for input Trying /var/tmp/from_scwrl_1577573170_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1577573170_a.pdb or /var/tmp/from_scwrl_1577573170_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1577573170.pdb or /var/tmp/from_scwrl_1577573170_b.pdb or /var/tmp/from_scwrl_1577573170_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 T0322 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_683775330.pdb -s /var/tmp/to_scwrl_683775330.seq -o /var/tmp/from_scwrl_683775330.pdb > /var/tmp/scwrl_683775330.log sh: /var/tmp/scwrl_683775330.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_683775330.pdb or /var/tmp/from_scwrl_683775330.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_683775330_b.pdb or decoys//var/tmp/from_scwrl_683775330_b.pdb.gz for input Trying /var/tmp/from_scwrl_683775330_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_683775330_b.pdb or /var/tmp/from_scwrl_683775330_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_683775330_a.pdb or decoys//var/tmp/from_scwrl_683775330_a.pdb.gz for input Trying /var/tmp/from_scwrl_683775330_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_683775330_a.pdb or /var/tmp/from_scwrl_683775330_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_683775330.pdb or /var/tmp/from_scwrl_683775330_b.pdb or /var/tmp/from_scwrl_683775330_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_227568243.pdb -s /var/tmp/to_scwrl_227568243.seq -o /var/tmp/from_scwrl_227568243.pdb > /var/tmp/scwrl_227568243.log sh: /var/tmp/scwrl_227568243.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_227568243.pdb or /var/tmp/from_scwrl_227568243.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_227568243_b.pdb or decoys//var/tmp/from_scwrl_227568243_b.pdb.gz for input Trying /var/tmp/from_scwrl_227568243_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_227568243_b.pdb or /var/tmp/from_scwrl_227568243_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_227568243_a.pdb or decoys//var/tmp/from_scwrl_227568243_a.pdb.gz for input Trying /var/tmp/from_scwrl_227568243_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_227568243_a.pdb or /var/tmp/from_scwrl_227568243_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_227568243.pdb or /var/tmp/from_scwrl_227568243_b.pdb or /var/tmp/from_scwrl_227568243_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 T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1389714720.pdb -s /var/tmp/to_scwrl_1389714720.seq -o /var/tmp/from_scwrl_1389714720.pdb > /var/tmp/scwrl_1389714720.log sh: /var/tmp/scwrl_1389714720.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1389714720.pdb or /var/tmp/from_scwrl_1389714720.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1389714720_b.pdb or decoys//var/tmp/from_scwrl_1389714720_b.pdb.gz for input Trying /var/tmp/from_scwrl_1389714720_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1389714720_b.pdb or /var/tmp/from_scwrl_1389714720_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1389714720_a.pdb or decoys//var/tmp/from_scwrl_1389714720_a.pdb.gz for input Trying /var/tmp/from_scwrl_1389714720_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1389714720_a.pdb or /var/tmp/from_scwrl_1389714720_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1389714720.pdb or /var/tmp/from_scwrl_1389714720_b.pdb or /var/tmp/from_scwrl_1389714720_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 T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2061642537.pdb -s /var/tmp/to_scwrl_2061642537.seq -o /var/tmp/from_scwrl_2061642537.pdb > /var/tmp/scwrl_2061642537.log sh: /var/tmp/scwrl_2061642537.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2061642537.pdb or /var/tmp/from_scwrl_2061642537.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2061642537_b.pdb or decoys//var/tmp/from_scwrl_2061642537_b.pdb.gz for input Trying /var/tmp/from_scwrl_2061642537_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2061642537_b.pdb or /var/tmp/from_scwrl_2061642537_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2061642537_a.pdb or decoys//var/tmp/from_scwrl_2061642537_a.pdb.gz for input Trying /var/tmp/from_scwrl_2061642537_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2061642537_a.pdb or /var/tmp/from_scwrl_2061642537_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2061642537.pdb or /var/tmp/from_scwrl_2061642537_b.pdb or /var/tmp/from_scwrl_2061642537_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 T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1038340758.pdb -s /var/tmp/to_scwrl_1038340758.seq -o /var/tmp/from_scwrl_1038340758.pdb > /var/tmp/scwrl_1038340758.log sh: /var/tmp/scwrl_1038340758.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1038340758.pdb or /var/tmp/from_scwrl_1038340758.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1038340758_b.pdb or decoys//var/tmp/from_scwrl_1038340758_b.pdb.gz for input Trying /var/tmp/from_scwrl_1038340758_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1038340758_b.pdb or /var/tmp/from_scwrl_1038340758_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1038340758_a.pdb or decoys//var/tmp/from_scwrl_1038340758_a.pdb.gz for input Trying /var/tmp/from_scwrl_1038340758_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1038340758_a.pdb or /var/tmp/from_scwrl_1038340758_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1038340758.pdb or /var/tmp/from_scwrl_1038340758_b.pdb or /var/tmp/from_scwrl_1038340758_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 T0322 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_138575495.pdb -s /var/tmp/to_scwrl_138575495.seq -o /var/tmp/from_scwrl_138575495.pdb > /var/tmp/scwrl_138575495.log sh: /var/tmp/scwrl_138575495.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_138575495.pdb or /var/tmp/from_scwrl_138575495.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_138575495_b.pdb or decoys//var/tmp/from_scwrl_138575495_b.pdb.gz for input Trying /var/tmp/from_scwrl_138575495_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_138575495_b.pdb or /var/tmp/from_scwrl_138575495_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_138575495_a.pdb or decoys//var/tmp/from_scwrl_138575495_a.pdb.gz for input Trying /var/tmp/from_scwrl_138575495_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_138575495_a.pdb or /var/tmp/from_scwrl_138575495_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_138575495.pdb or /var/tmp/from_scwrl_138575495_b.pdb or /var/tmp/from_scwrl_138575495_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 149 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_677269005.pdb -s /var/tmp/to_scwrl_677269005.seq -o /var/tmp/from_scwrl_677269005.pdb > /var/tmp/scwrl_677269005.log sh: /var/tmp/scwrl_677269005.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_677269005.pdb or /var/tmp/from_scwrl_677269005.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_677269005_b.pdb or decoys//var/tmp/from_scwrl_677269005_b.pdb.gz for input Trying /var/tmp/from_scwrl_677269005_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_677269005_b.pdb or /var/tmp/from_scwrl_677269005_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_677269005_a.pdb or decoys//var/tmp/from_scwrl_677269005_a.pdb.gz for input Trying /var/tmp/from_scwrl_677269005_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_677269005_a.pdb or /var/tmp/from_scwrl_677269005_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_677269005.pdb or /var/tmp/from_scwrl_677269005_b.pdb or /var/tmp/from_scwrl_677269005_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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_961073901.pdb -s /var/tmp/to_scwrl_961073901.seq -o /var/tmp/from_scwrl_961073901.pdb > /var/tmp/scwrl_961073901.log sh: /var/tmp/scwrl_961073901.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_961073901.pdb or /var/tmp/from_scwrl_961073901.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_961073901_b.pdb or decoys//var/tmp/from_scwrl_961073901_b.pdb.gz for input Trying /var/tmp/from_scwrl_961073901_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_961073901_b.pdb or /var/tmp/from_scwrl_961073901_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_961073901_a.pdb or decoys//var/tmp/from_scwrl_961073901_a.pdb.gz for input Trying /var/tmp/from_scwrl_961073901_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_961073901_a.pdb or /var/tmp/from_scwrl_961073901_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_961073901.pdb or /var/tmp/from_scwrl_961073901_b.pdb or /var/tmp/from_scwrl_961073901_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1666880194.pdb -s /var/tmp/to_scwrl_1666880194.seq -o /var/tmp/from_scwrl_1666880194.pdb > /var/tmp/scwrl_1666880194.log sh: /var/tmp/scwrl_1666880194.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1666880194.pdb or /var/tmp/from_scwrl_1666880194.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1666880194_b.pdb or decoys//var/tmp/from_scwrl_1666880194_b.pdb.gz for input Trying /var/tmp/from_scwrl_1666880194_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1666880194_b.pdb or /var/tmp/from_scwrl_1666880194_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1666880194_a.pdb or decoys//var/tmp/from_scwrl_1666880194_a.pdb.gz for input Trying /var/tmp/from_scwrl_1666880194_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1666880194_a.pdb or /var/tmp/from_scwrl_1666880194_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1666880194.pdb or /var/tmp/from_scwrl_1666880194_b.pdb or /var/tmp/from_scwrl_1666880194_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 T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1476313193.pdb -s /var/tmp/to_scwrl_1476313193.seq -o /var/tmp/from_scwrl_1476313193.pdb > /var/tmp/scwrl_1476313193.log sh: /var/tmp/scwrl_1476313193.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1476313193.pdb or /var/tmp/from_scwrl_1476313193.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476313193_b.pdb or decoys//var/tmp/from_scwrl_1476313193_b.pdb.gz for input Trying /var/tmp/from_scwrl_1476313193_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476313193_b.pdb or /var/tmp/from_scwrl_1476313193_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476313193_a.pdb or decoys//var/tmp/from_scwrl_1476313193_a.pdb.gz for input Trying /var/tmp/from_scwrl_1476313193_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476313193_a.pdb or /var/tmp/from_scwrl_1476313193_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1476313193.pdb or /var/tmp/from_scwrl_1476313193_b.pdb or /var/tmp/from_scwrl_1476313193_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 T0322 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1191141122.pdb -s /var/tmp/to_scwrl_1191141122.seq -o /var/tmp/from_scwrl_1191141122.pdb > /var/tmp/scwrl_1191141122.log sh: /var/tmp/scwrl_1191141122.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1191141122.pdb or /var/tmp/from_scwrl_1191141122.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1191141122_b.pdb or decoys//var/tmp/from_scwrl_1191141122_b.pdb.gz for input Trying /var/tmp/from_scwrl_1191141122_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1191141122_b.pdb or /var/tmp/from_scwrl_1191141122_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1191141122_a.pdb or decoys//var/tmp/from_scwrl_1191141122_a.pdb.gz for input Trying /var/tmp/from_scwrl_1191141122_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1191141122_a.pdb or /var/tmp/from_scwrl_1191141122_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1191141122.pdb or /var/tmp/from_scwrl_1191141122_b.pdb or /var/tmp/from_scwrl_1191141122_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 129 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_720478939.pdb -s /var/tmp/to_scwrl_720478939.seq -o /var/tmp/from_scwrl_720478939.pdb > /var/tmp/scwrl_720478939.log sh: /var/tmp/scwrl_720478939.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_720478939.pdb or /var/tmp/from_scwrl_720478939.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_720478939_b.pdb or decoys//var/tmp/from_scwrl_720478939_b.pdb.gz for input Trying /var/tmp/from_scwrl_720478939_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_720478939_b.pdb or /var/tmp/from_scwrl_720478939_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_720478939_a.pdb or decoys//var/tmp/from_scwrl_720478939_a.pdb.gz for input Trying /var/tmp/from_scwrl_720478939_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_720478939_a.pdb or /var/tmp/from_scwrl_720478939_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_720478939.pdb or /var/tmp/from_scwrl_720478939_b.pdb or /var/tmp/from_scwrl_720478939_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 142 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1233313658.pdb -s /var/tmp/to_scwrl_1233313658.seq -o /var/tmp/from_scwrl_1233313658.pdb > /var/tmp/scwrl_1233313658.log sh: /var/tmp/scwrl_1233313658.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1233313658.pdb or /var/tmp/from_scwrl_1233313658.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1233313658_b.pdb or decoys//var/tmp/from_scwrl_1233313658_b.pdb.gz for input Trying /var/tmp/from_scwrl_1233313658_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1233313658_b.pdb or /var/tmp/from_scwrl_1233313658_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1233313658_a.pdb or decoys//var/tmp/from_scwrl_1233313658_a.pdb.gz for input Trying /var/tmp/from_scwrl_1233313658_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1233313658_a.pdb or /var/tmp/from_scwrl_1233313658_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1233313658.pdb or /var/tmp/from_scwrl_1233313658_b.pdb or /var/tmp/from_scwrl_1233313658_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 111 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_352392883.pdb -s /var/tmp/to_scwrl_352392883.seq -o /var/tmp/from_scwrl_352392883.pdb > /var/tmp/scwrl_352392883.log sh: /var/tmp/scwrl_352392883.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_352392883.pdb or /var/tmp/from_scwrl_352392883.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_352392883_b.pdb or decoys//var/tmp/from_scwrl_352392883_b.pdb.gz for input Trying /var/tmp/from_scwrl_352392883_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_352392883_b.pdb or /var/tmp/from_scwrl_352392883_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_352392883_a.pdb or decoys//var/tmp/from_scwrl_352392883_a.pdb.gz for input Trying /var/tmp/from_scwrl_352392883_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_352392883_a.pdb or /var/tmp/from_scwrl_352392883_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_352392883.pdb or /var/tmp/from_scwrl_352392883_b.pdb or /var/tmp/from_scwrl_352392883_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 88 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1086104956.pdb -s /var/tmp/to_scwrl_1086104956.seq -o /var/tmp/from_scwrl_1086104956.pdb > /var/tmp/scwrl_1086104956.log sh: /var/tmp/scwrl_1086104956.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1086104956.pdb or /var/tmp/from_scwrl_1086104956.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1086104956_b.pdb or decoys//var/tmp/from_scwrl_1086104956_b.pdb.gz for input Trying /var/tmp/from_scwrl_1086104956_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1086104956_b.pdb or /var/tmp/from_scwrl_1086104956_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1086104956_a.pdb or decoys//var/tmp/from_scwrl_1086104956_a.pdb.gz for input Trying /var/tmp/from_scwrl_1086104956_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1086104956_a.pdb or /var/tmp/from_scwrl_1086104956_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1086104956.pdb or /var/tmp/from_scwrl_1086104956_b.pdb or /var/tmp/from_scwrl_1086104956_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 41 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_80734055.pdb -s /var/tmp/to_scwrl_80734055.seq -o /var/tmp/from_scwrl_80734055.pdb > /var/tmp/scwrl_80734055.log sh: /var/tmp/scwrl_80734055.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_80734055.pdb or /var/tmp/from_scwrl_80734055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_80734055_b.pdb or decoys//var/tmp/from_scwrl_80734055_b.pdb.gz for input Trying /var/tmp/from_scwrl_80734055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_80734055_b.pdb or /var/tmp/from_scwrl_80734055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_80734055_a.pdb or decoys//var/tmp/from_scwrl_80734055_a.pdb.gz for input Trying /var/tmp/from_scwrl_80734055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_80734055_a.pdb or /var/tmp/from_scwrl_80734055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_80734055.pdb or /var/tmp/from_scwrl_80734055_b.pdb or /var/tmp/from_scwrl_80734055_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 Skipped atom 79, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 337, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 391, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_10644325.pdb -s /var/tmp/to_scwrl_10644325.seq -o /var/tmp/from_scwrl_10644325.pdb > /var/tmp/scwrl_10644325.log sh: /var/tmp/scwrl_10644325.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_10644325.pdb or /var/tmp/from_scwrl_10644325.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_10644325_b.pdb or decoys//var/tmp/from_scwrl_10644325_b.pdb.gz for input Trying /var/tmp/from_scwrl_10644325_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_10644325_b.pdb or /var/tmp/from_scwrl_10644325_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_10644325_a.pdb or decoys//var/tmp/from_scwrl_10644325_a.pdb.gz for input Trying /var/tmp/from_scwrl_10644325_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_10644325_a.pdb or /var/tmp/from_scwrl_10644325_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_10644325.pdb or /var/tmp/from_scwrl_10644325_b.pdb or /var/tmp/from_scwrl_10644325_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 Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_560818769.pdb -s /var/tmp/to_scwrl_560818769.seq -o /var/tmp/from_scwrl_560818769.pdb > /var/tmp/scwrl_560818769.log sh: /var/tmp/scwrl_560818769.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_560818769.pdb or /var/tmp/from_scwrl_560818769.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_560818769_b.pdb or decoys//var/tmp/from_scwrl_560818769_b.pdb.gz for input Trying /var/tmp/from_scwrl_560818769_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_560818769_b.pdb or /var/tmp/from_scwrl_560818769_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_560818769_a.pdb or decoys//var/tmp/from_scwrl_560818769_a.pdb.gz for input Trying /var/tmp/from_scwrl_560818769_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_560818769_a.pdb or /var/tmp/from_scwrl_560818769_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_560818769.pdb or /var/tmp/from_scwrl_560818769_b.pdb or /var/tmp/from_scwrl_560818769_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1503569808.pdb -s /var/tmp/to_scwrl_1503569808.seq -o /var/tmp/from_scwrl_1503569808.pdb > /var/tmp/scwrl_1503569808.log sh: /var/tmp/scwrl_1503569808.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1503569808.pdb or /var/tmp/from_scwrl_1503569808.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1503569808_b.pdb or decoys//var/tmp/from_scwrl_1503569808_b.pdb.gz for input Trying /var/tmp/from_scwrl_1503569808_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1503569808_b.pdb or /var/tmp/from_scwrl_1503569808_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1503569808_a.pdb or decoys//var/tmp/from_scwrl_1503569808_a.pdb.gz for input Trying /var/tmp/from_scwrl_1503569808_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1503569808_a.pdb or /var/tmp/from_scwrl_1503569808_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1503569808.pdb or /var/tmp/from_scwrl_1503569808_b.pdb or /var/tmp/from_scwrl_1503569808_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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1258520917.pdb -s /var/tmp/to_scwrl_1258520917.seq -o /var/tmp/from_scwrl_1258520917.pdb > /var/tmp/scwrl_1258520917.log sh: /var/tmp/scwrl_1258520917.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1258520917.pdb or /var/tmp/from_scwrl_1258520917.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1258520917_b.pdb or decoys//var/tmp/from_scwrl_1258520917_b.pdb.gz for input Trying /var/tmp/from_scwrl_1258520917_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1258520917_b.pdb or /var/tmp/from_scwrl_1258520917_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1258520917_a.pdb or decoys//var/tmp/from_scwrl_1258520917_a.pdb.gz for input Trying /var/tmp/from_scwrl_1258520917_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1258520917_a.pdb or /var/tmp/from_scwrl_1258520917_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1258520917.pdb or /var/tmp/from_scwrl_1258520917_b.pdb or /var/tmp/from_scwrl_1258520917_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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1331171238.pdb -s /var/tmp/to_scwrl_1331171238.seq -o /var/tmp/from_scwrl_1331171238.pdb > /var/tmp/scwrl_1331171238.log sh: /var/tmp/scwrl_1331171238.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1331171238.pdb or /var/tmp/from_scwrl_1331171238.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331171238_b.pdb or decoys//var/tmp/from_scwrl_1331171238_b.pdb.gz for input Trying /var/tmp/from_scwrl_1331171238_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331171238_b.pdb or /var/tmp/from_scwrl_1331171238_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331171238_a.pdb or decoys//var/tmp/from_scwrl_1331171238_a.pdb.gz for input Trying /var/tmp/from_scwrl_1331171238_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331171238_a.pdb or /var/tmp/from_scwrl_1331171238_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1331171238.pdb or /var/tmp/from_scwrl_1331171238_b.pdb or /var/tmp/from_scwrl_1331171238_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 Skipped atom 79, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 337, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 391, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_953960931.pdb -s /var/tmp/to_scwrl_953960931.seq -o /var/tmp/from_scwrl_953960931.pdb > /var/tmp/scwrl_953960931.log sh: /var/tmp/scwrl_953960931.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_953960931.pdb or /var/tmp/from_scwrl_953960931.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_953960931_b.pdb or decoys//var/tmp/from_scwrl_953960931_b.pdb.gz for input Trying /var/tmp/from_scwrl_953960931_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_953960931_b.pdb or /var/tmp/from_scwrl_953960931_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_953960931_a.pdb or decoys//var/tmp/from_scwrl_953960931_a.pdb.gz for input Trying /var/tmp/from_scwrl_953960931_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_953960931_a.pdb or /var/tmp/from_scwrl_953960931_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_953960931.pdb or /var/tmp/from_scwrl_953960931_b.pdb or /var/tmp/from_scwrl_953960931_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 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_456078023.pdb -s /var/tmp/to_scwrl_456078023.seq -o /var/tmp/from_scwrl_456078023.pdb > /var/tmp/scwrl_456078023.log sh: /var/tmp/scwrl_456078023.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_456078023.pdb or /var/tmp/from_scwrl_456078023.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_456078023_b.pdb or decoys//var/tmp/from_scwrl_456078023_b.pdb.gz for input Trying /var/tmp/from_scwrl_456078023_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_456078023_b.pdb or /var/tmp/from_scwrl_456078023_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_456078023_a.pdb or decoys//var/tmp/from_scwrl_456078023_a.pdb.gz for input Trying /var/tmp/from_scwrl_456078023_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_456078023_a.pdb or /var/tmp/from_scwrl_456078023_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_456078023.pdb or /var/tmp/from_scwrl_456078023_b.pdb or /var/tmp/from_scwrl_456078023_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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1398888578.pdb -s /var/tmp/to_scwrl_1398888578.seq -o /var/tmp/from_scwrl_1398888578.pdb > /var/tmp/scwrl_1398888578.log sh: /var/tmp/scwrl_1398888578.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1398888578.pdb or /var/tmp/from_scwrl_1398888578.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1398888578_b.pdb or decoys//var/tmp/from_scwrl_1398888578_b.pdb.gz for input Trying /var/tmp/from_scwrl_1398888578_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1398888578_b.pdb or /var/tmp/from_scwrl_1398888578_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1398888578_a.pdb or decoys//var/tmp/from_scwrl_1398888578_a.pdb.gz for input Trying /var/tmp/from_scwrl_1398888578_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1398888578_a.pdb or /var/tmp/from_scwrl_1398888578_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1398888578.pdb or /var/tmp/from_scwrl_1398888578_b.pdb or /var/tmp/from_scwrl_1398888578_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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1037925600.pdb -s /var/tmp/to_scwrl_1037925600.seq -o /var/tmp/from_scwrl_1037925600.pdb > /var/tmp/scwrl_1037925600.log sh: /var/tmp/scwrl_1037925600.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1037925600.pdb or /var/tmp/from_scwrl_1037925600.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1037925600_b.pdb or decoys//var/tmp/from_scwrl_1037925600_b.pdb.gz for input Trying /var/tmp/from_scwrl_1037925600_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1037925600_b.pdb or /var/tmp/from_scwrl_1037925600_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1037925600_a.pdb or decoys//var/tmp/from_scwrl_1037925600_a.pdb.gz for input Trying /var/tmp/from_scwrl_1037925600_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1037925600_a.pdb or /var/tmp/from_scwrl_1037925600_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1037925600.pdb or /var/tmp/from_scwrl_1037925600_b.pdb or /var/tmp/from_scwrl_1037925600_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 T0322 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_255931906.pdb -s /var/tmp/to_scwrl_255931906.seq -o /var/tmp/from_scwrl_255931906.pdb > /var/tmp/scwrl_255931906.log sh: /var/tmp/scwrl_255931906.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_255931906.pdb or /var/tmp/from_scwrl_255931906.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_255931906_b.pdb or decoys//var/tmp/from_scwrl_255931906_b.pdb.gz for input Trying /var/tmp/from_scwrl_255931906_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_255931906_b.pdb or /var/tmp/from_scwrl_255931906_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_255931906_a.pdb or decoys//var/tmp/from_scwrl_255931906_a.pdb.gz for input Trying /var/tmp/from_scwrl_255931906_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_255931906_a.pdb or /var/tmp/from_scwrl_255931906_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_255931906.pdb or /var/tmp/from_scwrl_255931906_b.pdb or /var/tmp/from_scwrl_255931906_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 156 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1491324490.pdb -s /var/tmp/to_scwrl_1491324490.seq -o /var/tmp/from_scwrl_1491324490.pdb > /var/tmp/scwrl_1491324490.log sh: /var/tmp/scwrl_1491324490.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1491324490.pdb or /var/tmp/from_scwrl_1491324490.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1491324490_b.pdb or decoys//var/tmp/from_scwrl_1491324490_b.pdb.gz for input Trying /var/tmp/from_scwrl_1491324490_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1491324490_b.pdb or /var/tmp/from_scwrl_1491324490_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1491324490_a.pdb or decoys//var/tmp/from_scwrl_1491324490_a.pdb.gz for input Trying /var/tmp/from_scwrl_1491324490_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1491324490_a.pdb or /var/tmp/from_scwrl_1491324490_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1491324490.pdb or /var/tmp/from_scwrl_1491324490_b.pdb or /var/tmp/from_scwrl_1491324490_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 134 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_501882898.pdb -s /var/tmp/to_scwrl_501882898.seq -o /var/tmp/from_scwrl_501882898.pdb > /var/tmp/scwrl_501882898.log sh: /var/tmp/scwrl_501882898.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_501882898.pdb or /var/tmp/from_scwrl_501882898.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_501882898_b.pdb or decoys//var/tmp/from_scwrl_501882898_b.pdb.gz for input Trying /var/tmp/from_scwrl_501882898_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_501882898_b.pdb or /var/tmp/from_scwrl_501882898_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_501882898_a.pdb or decoys//var/tmp/from_scwrl_501882898_a.pdb.gz for input Trying /var/tmp/from_scwrl_501882898_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_501882898_a.pdb or /var/tmp/from_scwrl_501882898_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_501882898.pdb or /var/tmp/from_scwrl_501882898_b.pdb or /var/tmp/from_scwrl_501882898_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 153 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_587431273.pdb -s /var/tmp/to_scwrl_587431273.seq -o /var/tmp/from_scwrl_587431273.pdb > /var/tmp/scwrl_587431273.log sh: /var/tmp/scwrl_587431273.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_587431273.pdb or /var/tmp/from_scwrl_587431273.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587431273_b.pdb or decoys//var/tmp/from_scwrl_587431273_b.pdb.gz for input Trying /var/tmp/from_scwrl_587431273_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_587431273_b.pdb or /var/tmp/from_scwrl_587431273_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587431273_a.pdb or decoys//var/tmp/from_scwrl_587431273_a.pdb.gz for input Trying /var/tmp/from_scwrl_587431273_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_587431273_a.pdb or /var/tmp/from_scwrl_587431273_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_587431273.pdb or /var/tmp/from_scwrl_587431273_b.pdb or /var/tmp/from_scwrl_587431273_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1966721680.pdb -s /var/tmp/to_scwrl_1966721680.seq -o /var/tmp/from_scwrl_1966721680.pdb > /var/tmp/scwrl_1966721680.log sh: /var/tmp/scwrl_1966721680.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1966721680.pdb or /var/tmp/from_scwrl_1966721680.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1966721680_b.pdb or decoys//var/tmp/from_scwrl_1966721680_b.pdb.gz for input Trying /var/tmp/from_scwrl_1966721680_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1966721680_b.pdb or /var/tmp/from_scwrl_1966721680_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1966721680_a.pdb or decoys//var/tmp/from_scwrl_1966721680_a.pdb.gz for input Trying /var/tmp/from_scwrl_1966721680_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1966721680_a.pdb or /var/tmp/from_scwrl_1966721680_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1966721680.pdb or /var/tmp/from_scwrl_1966721680_b.pdb or /var/tmp/from_scwrl_1966721680_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 156 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2079456068.pdb -s /var/tmp/to_scwrl_2079456068.seq -o /var/tmp/from_scwrl_2079456068.pdb > /var/tmp/scwrl_2079456068.log sh: /var/tmp/scwrl_2079456068.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2079456068.pdb or /var/tmp/from_scwrl_2079456068.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2079456068_b.pdb or decoys//var/tmp/from_scwrl_2079456068_b.pdb.gz for input Trying /var/tmp/from_scwrl_2079456068_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2079456068_b.pdb or /var/tmp/from_scwrl_2079456068_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2079456068_a.pdb or decoys//var/tmp/from_scwrl_2079456068_a.pdb.gz for input Trying /var/tmp/from_scwrl_2079456068_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2079456068_a.pdb or /var/tmp/from_scwrl_2079456068_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2079456068.pdb or /var/tmp/from_scwrl_2079456068_b.pdb or /var/tmp/from_scwrl_2079456068_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1271206602.pdb -s /var/tmp/to_scwrl_1271206602.seq -o /var/tmp/from_scwrl_1271206602.pdb > /var/tmp/scwrl_1271206602.log sh: /var/tmp/scwrl_1271206602.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1271206602.pdb or /var/tmp/from_scwrl_1271206602.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1271206602_b.pdb or decoys//var/tmp/from_scwrl_1271206602_b.pdb.gz for input Trying /var/tmp/from_scwrl_1271206602_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1271206602_b.pdb or /var/tmp/from_scwrl_1271206602_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1271206602_a.pdb or decoys//var/tmp/from_scwrl_1271206602_a.pdb.gz for input Trying /var/tmp/from_scwrl_1271206602_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1271206602_a.pdb or /var/tmp/from_scwrl_1271206602_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1271206602.pdb or /var/tmp/from_scwrl_1271206602_b.pdb or /var/tmp/from_scwrl_1271206602_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_46806276.pdb -s /var/tmp/to_scwrl_46806276.seq -o /var/tmp/from_scwrl_46806276.pdb > /var/tmp/scwrl_46806276.log sh: /var/tmp/scwrl_46806276.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_46806276.pdb or /var/tmp/from_scwrl_46806276.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46806276_b.pdb or decoys//var/tmp/from_scwrl_46806276_b.pdb.gz for input Trying /var/tmp/from_scwrl_46806276_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_46806276_b.pdb or /var/tmp/from_scwrl_46806276_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46806276_a.pdb or decoys//var/tmp/from_scwrl_46806276_a.pdb.gz for input Trying /var/tmp/from_scwrl_46806276_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_46806276_a.pdb or /var/tmp/from_scwrl_46806276_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_46806276.pdb or /var/tmp/from_scwrl_46806276_b.pdb or /var/tmp/from_scwrl_46806276_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 T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1321687142.pdb -s /var/tmp/to_scwrl_1321687142.seq -o /var/tmp/from_scwrl_1321687142.pdb > /var/tmp/scwrl_1321687142.log sh: /var/tmp/scwrl_1321687142.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1321687142.pdb or /var/tmp/from_scwrl_1321687142.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1321687142_b.pdb or decoys//var/tmp/from_scwrl_1321687142_b.pdb.gz for input Trying /var/tmp/from_scwrl_1321687142_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1321687142_b.pdb or /var/tmp/from_scwrl_1321687142_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1321687142_a.pdb or decoys//var/tmp/from_scwrl_1321687142_a.pdb.gz for input Trying /var/tmp/from_scwrl_1321687142_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1321687142_a.pdb or /var/tmp/from_scwrl_1321687142_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1321687142.pdb or /var/tmp/from_scwrl_1321687142_b.pdb or /var/tmp/from_scwrl_1321687142_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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1185365492.pdb -s /var/tmp/to_scwrl_1185365492.seq -o /var/tmp/from_scwrl_1185365492.pdb > /var/tmp/scwrl_1185365492.log sh: /var/tmp/scwrl_1185365492.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1185365492.pdb or /var/tmp/from_scwrl_1185365492.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1185365492_b.pdb or decoys//var/tmp/from_scwrl_1185365492_b.pdb.gz for input Trying /var/tmp/from_scwrl_1185365492_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1185365492_b.pdb or /var/tmp/from_scwrl_1185365492_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1185365492_a.pdb or decoys//var/tmp/from_scwrl_1185365492_a.pdb.gz for input Trying /var/tmp/from_scwrl_1185365492_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1185365492_a.pdb or /var/tmp/from_scwrl_1185365492_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1185365492.pdb or /var/tmp/from_scwrl_1185365492_b.pdb or /var/tmp/from_scwrl_1185365492_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1085147034.pdb -s /var/tmp/to_scwrl_1085147034.seq -o /var/tmp/from_scwrl_1085147034.pdb > /var/tmp/scwrl_1085147034.log sh: /var/tmp/scwrl_1085147034.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1085147034.pdb or /var/tmp/from_scwrl_1085147034.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1085147034_b.pdb or decoys//var/tmp/from_scwrl_1085147034_b.pdb.gz for input Trying /var/tmp/from_scwrl_1085147034_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1085147034_b.pdb or /var/tmp/from_scwrl_1085147034_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1085147034_a.pdb or decoys//var/tmp/from_scwrl_1085147034_a.pdb.gz for input Trying /var/tmp/from_scwrl_1085147034_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1085147034_a.pdb or /var/tmp/from_scwrl_1085147034_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1085147034.pdb or /var/tmp/from_scwrl_1085147034_b.pdb or /var/tmp/from_scwrl_1085147034_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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1460262637.pdb -s /var/tmp/to_scwrl_1460262637.seq -o /var/tmp/from_scwrl_1460262637.pdb > /var/tmp/scwrl_1460262637.log sh: /var/tmp/scwrl_1460262637.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1460262637.pdb or /var/tmp/from_scwrl_1460262637.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1460262637_b.pdb or decoys//var/tmp/from_scwrl_1460262637_b.pdb.gz for input Trying /var/tmp/from_scwrl_1460262637_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1460262637_b.pdb or /var/tmp/from_scwrl_1460262637_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1460262637_a.pdb or decoys//var/tmp/from_scwrl_1460262637_a.pdb.gz for input Trying /var/tmp/from_scwrl_1460262637_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1460262637_a.pdb or /var/tmp/from_scwrl_1460262637_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1460262637.pdb or /var/tmp/from_scwrl_1460262637_b.pdb or /var/tmp/from_scwrl_1460262637_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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1862634497.pdb -s /var/tmp/to_scwrl_1862634497.seq -o /var/tmp/from_scwrl_1862634497.pdb > /var/tmp/scwrl_1862634497.log sh: /var/tmp/scwrl_1862634497.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1862634497.pdb or /var/tmp/from_scwrl_1862634497.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1862634497_b.pdb or decoys//var/tmp/from_scwrl_1862634497_b.pdb.gz for input Trying /var/tmp/from_scwrl_1862634497_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1862634497_b.pdb or /var/tmp/from_scwrl_1862634497_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1862634497_a.pdb or decoys//var/tmp/from_scwrl_1862634497_a.pdb.gz for input Trying /var/tmp/from_scwrl_1862634497_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1862634497_a.pdb or /var/tmp/from_scwrl_1862634497_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1862634497.pdb or /var/tmp/from_scwrl_1862634497_b.pdb or /var/tmp/from_scwrl_1862634497_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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2046220935.pdb -s /var/tmp/to_scwrl_2046220935.seq -o /var/tmp/from_scwrl_2046220935.pdb > /var/tmp/scwrl_2046220935.log sh: /var/tmp/scwrl_2046220935.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2046220935.pdb or /var/tmp/from_scwrl_2046220935.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2046220935_b.pdb or decoys//var/tmp/from_scwrl_2046220935_b.pdb.gz for input Trying /var/tmp/from_scwrl_2046220935_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2046220935_b.pdb or /var/tmp/from_scwrl_2046220935_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2046220935_a.pdb or decoys//var/tmp/from_scwrl_2046220935_a.pdb.gz for input Trying /var/tmp/from_scwrl_2046220935_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2046220935_a.pdb or /var/tmp/from_scwrl_2046220935_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2046220935.pdb or /var/tmp/from_scwrl_2046220935_b.pdb or /var/tmp/from_scwrl_2046220935_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 T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_979659186.pdb -s /var/tmp/to_scwrl_979659186.seq -o /var/tmp/from_scwrl_979659186.pdb > /var/tmp/scwrl_979659186.log sh: /var/tmp/scwrl_979659186.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_979659186.pdb or /var/tmp/from_scwrl_979659186.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_979659186_b.pdb or decoys//var/tmp/from_scwrl_979659186_b.pdb.gz for input Trying /var/tmp/from_scwrl_979659186_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_979659186_b.pdb or /var/tmp/from_scwrl_979659186_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_979659186_a.pdb or decoys//var/tmp/from_scwrl_979659186_a.pdb.gz for input Trying /var/tmp/from_scwrl_979659186_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_979659186_a.pdb or /var/tmp/from_scwrl_979659186_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_979659186.pdb or /var/tmp/from_scwrl_979659186_b.pdb or /var/tmp/from_scwrl_979659186_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1191464044.pdb -s /var/tmp/to_scwrl_1191464044.seq -o /var/tmp/from_scwrl_1191464044.pdb > /var/tmp/scwrl_1191464044.log sh: /var/tmp/scwrl_1191464044.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1191464044.pdb or /var/tmp/from_scwrl_1191464044.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1191464044_b.pdb or decoys//var/tmp/from_scwrl_1191464044_b.pdb.gz for input Trying /var/tmp/from_scwrl_1191464044_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1191464044_b.pdb or /var/tmp/from_scwrl_1191464044_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1191464044_a.pdb or decoys//var/tmp/from_scwrl_1191464044_a.pdb.gz for input Trying /var/tmp/from_scwrl_1191464044_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1191464044_a.pdb or /var/tmp/from_scwrl_1191464044_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1191464044.pdb or /var/tmp/from_scwrl_1191464044_b.pdb or /var/tmp/from_scwrl_1191464044_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 149 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1089878411.pdb -s /var/tmp/to_scwrl_1089878411.seq -o /var/tmp/from_scwrl_1089878411.pdb > /var/tmp/scwrl_1089878411.log sh: /var/tmp/scwrl_1089878411.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1089878411.pdb or /var/tmp/from_scwrl_1089878411.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1089878411_b.pdb or decoys//var/tmp/from_scwrl_1089878411_b.pdb.gz for input Trying /var/tmp/from_scwrl_1089878411_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1089878411_b.pdb or /var/tmp/from_scwrl_1089878411_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1089878411_a.pdb or decoys//var/tmp/from_scwrl_1089878411_a.pdb.gz for input Trying /var/tmp/from_scwrl_1089878411_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1089878411_a.pdb or /var/tmp/from_scwrl_1089878411_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1089878411.pdb or /var/tmp/from_scwrl_1089878411_b.pdb or /var/tmp/from_scwrl_1089878411_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 156 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1700138124.pdb -s /var/tmp/to_scwrl_1700138124.seq -o /var/tmp/from_scwrl_1700138124.pdb > /var/tmp/scwrl_1700138124.log sh: /var/tmp/scwrl_1700138124.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1700138124.pdb or /var/tmp/from_scwrl_1700138124.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1700138124_b.pdb or decoys//var/tmp/from_scwrl_1700138124_b.pdb.gz for input Trying /var/tmp/from_scwrl_1700138124_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1700138124_b.pdb or /var/tmp/from_scwrl_1700138124_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1700138124_a.pdb or decoys//var/tmp/from_scwrl_1700138124_a.pdb.gz for input Trying /var/tmp/from_scwrl_1700138124_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1700138124_a.pdb or /var/tmp/from_scwrl_1700138124_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1700138124.pdb or /var/tmp/from_scwrl_1700138124_b.pdb or /var/tmp/from_scwrl_1700138124_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 154 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_277294056.pdb -s /var/tmp/to_scwrl_277294056.seq -o /var/tmp/from_scwrl_277294056.pdb > /var/tmp/scwrl_277294056.log sh: /var/tmp/scwrl_277294056.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_277294056.pdb or /var/tmp/from_scwrl_277294056.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_277294056_b.pdb or decoys//var/tmp/from_scwrl_277294056_b.pdb.gz for input Trying /var/tmp/from_scwrl_277294056_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_277294056_b.pdb or /var/tmp/from_scwrl_277294056_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_277294056_a.pdb or decoys//var/tmp/from_scwrl_277294056_a.pdb.gz for input Trying /var/tmp/from_scwrl_277294056_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_277294056_a.pdb or /var/tmp/from_scwrl_277294056_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_277294056.pdb or /var/tmp/from_scwrl_277294056_b.pdb or /var/tmp/from_scwrl_277294056_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 151 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1442271294.pdb -s /var/tmp/to_scwrl_1442271294.seq -o /var/tmp/from_scwrl_1442271294.pdb > /var/tmp/scwrl_1442271294.log sh: /var/tmp/scwrl_1442271294.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1442271294.pdb or /var/tmp/from_scwrl_1442271294.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1442271294_b.pdb or decoys//var/tmp/from_scwrl_1442271294_b.pdb.gz for input Trying /var/tmp/from_scwrl_1442271294_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1442271294_b.pdb or /var/tmp/from_scwrl_1442271294_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1442271294_a.pdb or decoys//var/tmp/from_scwrl_1442271294_a.pdb.gz for input Trying /var/tmp/from_scwrl_1442271294_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1442271294_a.pdb or /var/tmp/from_scwrl_1442271294_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1442271294.pdb or /var/tmp/from_scwrl_1442271294_b.pdb or /var/tmp/from_scwrl_1442271294_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 121 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_638759434.pdb -s /var/tmp/to_scwrl_638759434.seq -o /var/tmp/from_scwrl_638759434.pdb > /var/tmp/scwrl_638759434.log sh: /var/tmp/scwrl_638759434.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_638759434.pdb or /var/tmp/from_scwrl_638759434.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_638759434_b.pdb or decoys//var/tmp/from_scwrl_638759434_b.pdb.gz for input Trying /var/tmp/from_scwrl_638759434_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_638759434_b.pdb or /var/tmp/from_scwrl_638759434_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_638759434_a.pdb or decoys//var/tmp/from_scwrl_638759434_a.pdb.gz for input Trying /var/tmp/from_scwrl_638759434_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_638759434_a.pdb or /var/tmp/from_scwrl_638759434_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_638759434.pdb or /var/tmp/from_scwrl_638759434_b.pdb or /var/tmp/from_scwrl_638759434_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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_358028112.pdb -s /var/tmp/to_scwrl_358028112.seq -o /var/tmp/from_scwrl_358028112.pdb > /var/tmp/scwrl_358028112.log sh: /var/tmp/scwrl_358028112.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_358028112.pdb or /var/tmp/from_scwrl_358028112.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_358028112_b.pdb or decoys//var/tmp/from_scwrl_358028112_b.pdb.gz for input Trying /var/tmp/from_scwrl_358028112_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_358028112_b.pdb or /var/tmp/from_scwrl_358028112_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_358028112_a.pdb or decoys//var/tmp/from_scwrl_358028112_a.pdb.gz for input Trying /var/tmp/from_scwrl_358028112_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_358028112_a.pdb or /var/tmp/from_scwrl_358028112_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_358028112.pdb or /var/tmp/from_scwrl_358028112_b.pdb or /var/tmp/from_scwrl_358028112_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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1452915620.pdb -s /var/tmp/to_scwrl_1452915620.seq -o /var/tmp/from_scwrl_1452915620.pdb > /var/tmp/scwrl_1452915620.log sh: /var/tmp/scwrl_1452915620.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1452915620.pdb or /var/tmp/from_scwrl_1452915620.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1452915620_b.pdb or decoys//var/tmp/from_scwrl_1452915620_b.pdb.gz for input Trying /var/tmp/from_scwrl_1452915620_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1452915620_b.pdb or /var/tmp/from_scwrl_1452915620_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1452915620_a.pdb or decoys//var/tmp/from_scwrl_1452915620_a.pdb.gz for input Trying /var/tmp/from_scwrl_1452915620_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1452915620_a.pdb or /var/tmp/from_scwrl_1452915620_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1452915620.pdb or /var/tmp/from_scwrl_1452915620_b.pdb or /var/tmp/from_scwrl_1452915620_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 T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1199578202.pdb -s /var/tmp/to_scwrl_1199578202.seq -o /var/tmp/from_scwrl_1199578202.pdb > /var/tmp/scwrl_1199578202.log sh: /var/tmp/scwrl_1199578202.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1199578202.pdb or /var/tmp/from_scwrl_1199578202.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1199578202_b.pdb or decoys//var/tmp/from_scwrl_1199578202_b.pdb.gz for input Trying /var/tmp/from_scwrl_1199578202_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1199578202_b.pdb or /var/tmp/from_scwrl_1199578202_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1199578202_a.pdb or decoys//var/tmp/from_scwrl_1199578202_a.pdb.gz for input Trying /var/tmp/from_scwrl_1199578202_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1199578202_a.pdb or /var/tmp/from_scwrl_1199578202_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1199578202.pdb or /var/tmp/from_scwrl_1199578202_b.pdb or /var/tmp/from_scwrl_1199578202_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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1861597920.pdb -s /var/tmp/to_scwrl_1861597920.seq -o /var/tmp/from_scwrl_1861597920.pdb > /var/tmp/scwrl_1861597920.log sh: /var/tmp/scwrl_1861597920.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1861597920.pdb or /var/tmp/from_scwrl_1861597920.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1861597920_b.pdb or decoys//var/tmp/from_scwrl_1861597920_b.pdb.gz for input Trying /var/tmp/from_scwrl_1861597920_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1861597920_b.pdb or /var/tmp/from_scwrl_1861597920_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1861597920_a.pdb or decoys//var/tmp/from_scwrl_1861597920_a.pdb.gz for input Trying /var/tmp/from_scwrl_1861597920_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1861597920_a.pdb or /var/tmp/from_scwrl_1861597920_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1861597920.pdb or /var/tmp/from_scwrl_1861597920_b.pdb or /var/tmp/from_scwrl_1861597920_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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_563952891.pdb -s /var/tmp/to_scwrl_563952891.seq -o /var/tmp/from_scwrl_563952891.pdb > /var/tmp/scwrl_563952891.log sh: /var/tmp/scwrl_563952891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_563952891.pdb or /var/tmp/from_scwrl_563952891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_563952891_b.pdb or decoys//var/tmp/from_scwrl_563952891_b.pdb.gz for input Trying /var/tmp/from_scwrl_563952891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_563952891_b.pdb or /var/tmp/from_scwrl_563952891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_563952891_a.pdb or decoys//var/tmp/from_scwrl_563952891_a.pdb.gz for input Trying /var/tmp/from_scwrl_563952891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_563952891_a.pdb or /var/tmp/from_scwrl_563952891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_563952891.pdb or /var/tmp/from_scwrl_563952891_b.pdb or /var/tmp/from_scwrl_563952891_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 103 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_383265794.pdb -s /var/tmp/to_scwrl_383265794.seq -o /var/tmp/from_scwrl_383265794.pdb > /var/tmp/scwrl_383265794.log sh: /var/tmp/scwrl_383265794.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_383265794.pdb or /var/tmp/from_scwrl_383265794.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_383265794_b.pdb or decoys//var/tmp/from_scwrl_383265794_b.pdb.gz for input Trying /var/tmp/from_scwrl_383265794_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_383265794_b.pdb or /var/tmp/from_scwrl_383265794_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_383265794_a.pdb or decoys//var/tmp/from_scwrl_383265794_a.pdb.gz for input Trying /var/tmp/from_scwrl_383265794_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_383265794_a.pdb or /var/tmp/from_scwrl_383265794_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_383265794.pdb or /var/tmp/from_scwrl_383265794_b.pdb or /var/tmp/from_scwrl_383265794_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 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_668075205.pdb -s /var/tmp/to_scwrl_668075205.seq -o /var/tmp/from_scwrl_668075205.pdb > /var/tmp/scwrl_668075205.log sh: /var/tmp/scwrl_668075205.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_668075205.pdb or /var/tmp/from_scwrl_668075205.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_668075205_b.pdb or decoys//var/tmp/from_scwrl_668075205_b.pdb.gz for input Trying /var/tmp/from_scwrl_668075205_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_668075205_b.pdb or /var/tmp/from_scwrl_668075205_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_668075205_a.pdb or decoys//var/tmp/from_scwrl_668075205_a.pdb.gz for input Trying /var/tmp/from_scwrl_668075205_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_668075205_a.pdb or /var/tmp/from_scwrl_668075205_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_668075205.pdb or /var/tmp/from_scwrl_668075205_b.pdb or /var/tmp/from_scwrl_668075205_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 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1020030914.pdb -s /var/tmp/to_scwrl_1020030914.seq -o /var/tmp/from_scwrl_1020030914.pdb > /var/tmp/scwrl_1020030914.log sh: /var/tmp/scwrl_1020030914.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1020030914.pdb or /var/tmp/from_scwrl_1020030914.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1020030914_b.pdb or decoys//var/tmp/from_scwrl_1020030914_b.pdb.gz for input Trying /var/tmp/from_scwrl_1020030914_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1020030914_b.pdb or /var/tmp/from_scwrl_1020030914_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1020030914_a.pdb or decoys//var/tmp/from_scwrl_1020030914_a.pdb.gz for input Trying /var/tmp/from_scwrl_1020030914_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1020030914_a.pdb or /var/tmp/from_scwrl_1020030914_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1020030914.pdb or /var/tmp/from_scwrl_1020030914_b.pdb or /var/tmp/from_scwrl_1020030914_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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1782154373.pdb -s /var/tmp/to_scwrl_1782154373.seq -o /var/tmp/from_scwrl_1782154373.pdb > /var/tmp/scwrl_1782154373.log sh: /var/tmp/scwrl_1782154373.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1782154373.pdb or /var/tmp/from_scwrl_1782154373.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1782154373_b.pdb or decoys//var/tmp/from_scwrl_1782154373_b.pdb.gz for input Trying /var/tmp/from_scwrl_1782154373_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1782154373_b.pdb or /var/tmp/from_scwrl_1782154373_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1782154373_a.pdb or decoys//var/tmp/from_scwrl_1782154373_a.pdb.gz for input Trying /var/tmp/from_scwrl_1782154373_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1782154373_a.pdb or /var/tmp/from_scwrl_1782154373_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1782154373.pdb or /var/tmp/from_scwrl_1782154373_b.pdb or /var/tmp/from_scwrl_1782154373_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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1706000804.pdb -s /var/tmp/to_scwrl_1706000804.seq -o /var/tmp/from_scwrl_1706000804.pdb > /var/tmp/scwrl_1706000804.log sh: /var/tmp/scwrl_1706000804.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1706000804.pdb or /var/tmp/from_scwrl_1706000804.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1706000804_b.pdb or decoys//var/tmp/from_scwrl_1706000804_b.pdb.gz for input Trying /var/tmp/from_scwrl_1706000804_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1706000804_b.pdb or /var/tmp/from_scwrl_1706000804_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1706000804_a.pdb or decoys//var/tmp/from_scwrl_1706000804_a.pdb.gz for input Trying /var/tmp/from_scwrl_1706000804_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1706000804_a.pdb or /var/tmp/from_scwrl_1706000804_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1706000804.pdb or /var/tmp/from_scwrl_1706000804_b.pdb or /var/tmp/from_scwrl_1706000804_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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1275962819.pdb -s /var/tmp/to_scwrl_1275962819.seq -o /var/tmp/from_scwrl_1275962819.pdb > /var/tmp/scwrl_1275962819.log sh: /var/tmp/scwrl_1275962819.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1275962819.pdb or /var/tmp/from_scwrl_1275962819.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1275962819_b.pdb or decoys//var/tmp/from_scwrl_1275962819_b.pdb.gz for input Trying /var/tmp/from_scwrl_1275962819_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1275962819_b.pdb or /var/tmp/from_scwrl_1275962819_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1275962819_a.pdb or decoys//var/tmp/from_scwrl_1275962819_a.pdb.gz for input Trying /var/tmp/from_scwrl_1275962819_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1275962819_a.pdb or /var/tmp/from_scwrl_1275962819_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1275962819.pdb or /var/tmp/from_scwrl_1275962819_b.pdb or /var/tmp/from_scwrl_1275962819_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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1125995216.pdb -s /var/tmp/to_scwrl_1125995216.seq -o /var/tmp/from_scwrl_1125995216.pdb > /var/tmp/scwrl_1125995216.log sh: /var/tmp/scwrl_1125995216.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1125995216.pdb or /var/tmp/from_scwrl_1125995216.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1125995216_b.pdb or decoys//var/tmp/from_scwrl_1125995216_b.pdb.gz for input Trying /var/tmp/from_scwrl_1125995216_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1125995216_b.pdb or /var/tmp/from_scwrl_1125995216_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1125995216_a.pdb or decoys//var/tmp/from_scwrl_1125995216_a.pdb.gz for input Trying /var/tmp/from_scwrl_1125995216_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1125995216_a.pdb or /var/tmp/from_scwrl_1125995216_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1125995216.pdb or /var/tmp/from_scwrl_1125995216_b.pdb or /var/tmp/from_scwrl_1125995216_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 T0322 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_60400055.pdb -s /var/tmp/to_scwrl_60400055.seq -o /var/tmp/from_scwrl_60400055.pdb > /var/tmp/scwrl_60400055.log sh: /var/tmp/scwrl_60400055.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_60400055.pdb or /var/tmp/from_scwrl_60400055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_60400055_b.pdb or decoys//var/tmp/from_scwrl_60400055_b.pdb.gz for input Trying /var/tmp/from_scwrl_60400055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_60400055_b.pdb or /var/tmp/from_scwrl_60400055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_60400055_a.pdb or decoys//var/tmp/from_scwrl_60400055_a.pdb.gz for input Trying /var/tmp/from_scwrl_60400055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_60400055_a.pdb or /var/tmp/from_scwrl_60400055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_60400055.pdb or /var/tmp/from_scwrl_60400055_b.pdb or /var/tmp/from_scwrl_60400055_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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1863394092.pdb -s /var/tmp/to_scwrl_1863394092.seq -o /var/tmp/from_scwrl_1863394092.pdb > /var/tmp/scwrl_1863394092.log sh: /var/tmp/scwrl_1863394092.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1863394092.pdb or /var/tmp/from_scwrl_1863394092.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1863394092_b.pdb or decoys//var/tmp/from_scwrl_1863394092_b.pdb.gz for input Trying /var/tmp/from_scwrl_1863394092_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1863394092_b.pdb or /var/tmp/from_scwrl_1863394092_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1863394092_a.pdb or decoys//var/tmp/from_scwrl_1863394092_a.pdb.gz for input Trying /var/tmp/from_scwrl_1863394092_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1863394092_a.pdb or /var/tmp/from_scwrl_1863394092_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1863394092.pdb or /var/tmp/from_scwrl_1863394092_b.pdb or /var/tmp/from_scwrl_1863394092_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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_945233250.pdb -s /var/tmp/to_scwrl_945233250.seq -o /var/tmp/from_scwrl_945233250.pdb > /var/tmp/scwrl_945233250.log sh: /var/tmp/scwrl_945233250.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_945233250.pdb or /var/tmp/from_scwrl_945233250.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945233250_b.pdb or decoys//var/tmp/from_scwrl_945233250_b.pdb.gz for input Trying /var/tmp/from_scwrl_945233250_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_945233250_b.pdb or /var/tmp/from_scwrl_945233250_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945233250_a.pdb or decoys//var/tmp/from_scwrl_945233250_a.pdb.gz for input Trying /var/tmp/from_scwrl_945233250_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_945233250_a.pdb or /var/tmp/from_scwrl_945233250_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_945233250.pdb or /var/tmp/from_scwrl_945233250_b.pdb or /var/tmp/from_scwrl_945233250_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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2139856123.pdb -s /var/tmp/to_scwrl_2139856123.seq -o /var/tmp/from_scwrl_2139856123.pdb > /var/tmp/scwrl_2139856123.log sh: /var/tmp/scwrl_2139856123.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2139856123.pdb or /var/tmp/from_scwrl_2139856123.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2139856123_b.pdb or decoys//var/tmp/from_scwrl_2139856123_b.pdb.gz for input Trying /var/tmp/from_scwrl_2139856123_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2139856123_b.pdb or /var/tmp/from_scwrl_2139856123_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2139856123_a.pdb or decoys//var/tmp/from_scwrl_2139856123_a.pdb.gz for input Trying /var/tmp/from_scwrl_2139856123_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2139856123_a.pdb or /var/tmp/from_scwrl_2139856123_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2139856123.pdb or /var/tmp/from_scwrl_2139856123_b.pdb or /var/tmp/from_scwrl_2139856123_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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_987117048.pdb -s /var/tmp/to_scwrl_987117048.seq -o /var/tmp/from_scwrl_987117048.pdb > /var/tmp/scwrl_987117048.log sh: /var/tmp/scwrl_987117048.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_987117048.pdb or /var/tmp/from_scwrl_987117048.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_987117048_b.pdb or decoys//var/tmp/from_scwrl_987117048_b.pdb.gz for input Trying /var/tmp/from_scwrl_987117048_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_987117048_b.pdb or /var/tmp/from_scwrl_987117048_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_987117048_a.pdb or decoys//var/tmp/from_scwrl_987117048_a.pdb.gz for input Trying /var/tmp/from_scwrl_987117048_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_987117048_a.pdb or /var/tmp/from_scwrl_987117048_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_987117048.pdb or /var/tmp/from_scwrl_987117048_b.pdb or /var/tmp/from_scwrl_987117048_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 T0322 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_992039527.pdb -s /var/tmp/to_scwrl_992039527.seq -o /var/tmp/from_scwrl_992039527.pdb > /var/tmp/scwrl_992039527.log sh: /var/tmp/scwrl_992039527.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_992039527.pdb or /var/tmp/from_scwrl_992039527.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_992039527_b.pdb or decoys//var/tmp/from_scwrl_992039527_b.pdb.gz for input Trying /var/tmp/from_scwrl_992039527_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_992039527_b.pdb or /var/tmp/from_scwrl_992039527_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_992039527_a.pdb or decoys//var/tmp/from_scwrl_992039527_a.pdb.gz for input Trying /var/tmp/from_scwrl_992039527_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_992039527_a.pdb or /var/tmp/from_scwrl_992039527_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_992039527.pdb or /var/tmp/from_scwrl_992039527_b.pdb or /var/tmp/from_scwrl_992039527_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1314059618.pdb -s /var/tmp/to_scwrl_1314059618.seq -o /var/tmp/from_scwrl_1314059618.pdb > /var/tmp/scwrl_1314059618.log sh: /var/tmp/scwrl_1314059618.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1314059618.pdb or /var/tmp/from_scwrl_1314059618.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1314059618_b.pdb or decoys//var/tmp/from_scwrl_1314059618_b.pdb.gz for input Trying /var/tmp/from_scwrl_1314059618_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1314059618_b.pdb or /var/tmp/from_scwrl_1314059618_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1314059618_a.pdb or decoys//var/tmp/from_scwrl_1314059618_a.pdb.gz for input Trying /var/tmp/from_scwrl_1314059618_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1314059618_a.pdb or /var/tmp/from_scwrl_1314059618_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1314059618.pdb or /var/tmp/from_scwrl_1314059618_b.pdb or /var/tmp/from_scwrl_1314059618_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 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_24998894.pdb -s /var/tmp/to_scwrl_24998894.seq -o /var/tmp/from_scwrl_24998894.pdb > /var/tmp/scwrl_24998894.log sh: /var/tmp/scwrl_24998894.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_24998894.pdb or /var/tmp/from_scwrl_24998894.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24998894_b.pdb or decoys//var/tmp/from_scwrl_24998894_b.pdb.gz for input Trying /var/tmp/from_scwrl_24998894_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_24998894_b.pdb or /var/tmp/from_scwrl_24998894_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24998894_a.pdb or decoys//var/tmp/from_scwrl_24998894_a.pdb.gz for input Trying /var/tmp/from_scwrl_24998894_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_24998894_a.pdb or /var/tmp/from_scwrl_24998894_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_24998894.pdb or /var/tmp/from_scwrl_24998894_b.pdb or /var/tmp/from_scwrl_24998894_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 62 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2077186561.pdb -s /var/tmp/to_scwrl_2077186561.seq -o /var/tmp/from_scwrl_2077186561.pdb > /var/tmp/scwrl_2077186561.log sh: /var/tmp/scwrl_2077186561.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2077186561.pdb or /var/tmp/from_scwrl_2077186561.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2077186561_b.pdb or decoys//var/tmp/from_scwrl_2077186561_b.pdb.gz for input Trying /var/tmp/from_scwrl_2077186561_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2077186561_b.pdb or /var/tmp/from_scwrl_2077186561_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2077186561_a.pdb or decoys//var/tmp/from_scwrl_2077186561_a.pdb.gz for input Trying /var/tmp/from_scwrl_2077186561_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2077186561_a.pdb or /var/tmp/from_scwrl_2077186561_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2077186561.pdb or /var/tmp/from_scwrl_2077186561_b.pdb or /var/tmp/from_scwrl_2077186561_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 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_626838610.pdb -s /var/tmp/to_scwrl_626838610.seq -o /var/tmp/from_scwrl_626838610.pdb > /var/tmp/scwrl_626838610.log sh: /var/tmp/scwrl_626838610.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_626838610.pdb or /var/tmp/from_scwrl_626838610.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_626838610_b.pdb or decoys//var/tmp/from_scwrl_626838610_b.pdb.gz for input Trying /var/tmp/from_scwrl_626838610_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_626838610_b.pdb or /var/tmp/from_scwrl_626838610_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_626838610_a.pdb or decoys//var/tmp/from_scwrl_626838610_a.pdb.gz for input Trying /var/tmp/from_scwrl_626838610_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_626838610_a.pdb or /var/tmp/from_scwrl_626838610_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_626838610.pdb or /var/tmp/from_scwrl_626838610_b.pdb or /var/tmp/from_scwrl_626838610_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 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1887633391.pdb -s /var/tmp/to_scwrl_1887633391.seq -o /var/tmp/from_scwrl_1887633391.pdb > /var/tmp/scwrl_1887633391.log sh: /var/tmp/scwrl_1887633391.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1887633391.pdb or /var/tmp/from_scwrl_1887633391.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1887633391_b.pdb or decoys//var/tmp/from_scwrl_1887633391_b.pdb.gz for input Trying /var/tmp/from_scwrl_1887633391_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1887633391_b.pdb or /var/tmp/from_scwrl_1887633391_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1887633391_a.pdb or decoys//var/tmp/from_scwrl_1887633391_a.pdb.gz for input Trying /var/tmp/from_scwrl_1887633391_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1887633391_a.pdb or /var/tmp/from_scwrl_1887633391_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1887633391.pdb or /var/tmp/from_scwrl_1887633391_b.pdb or /var/tmp/from_scwrl_1887633391_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 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1975923849.pdb -s /var/tmp/to_scwrl_1975923849.seq -o /var/tmp/from_scwrl_1975923849.pdb > /var/tmp/scwrl_1975923849.log sh: /var/tmp/scwrl_1975923849.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1975923849.pdb or /var/tmp/from_scwrl_1975923849.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1975923849_b.pdb or decoys//var/tmp/from_scwrl_1975923849_b.pdb.gz for input Trying /var/tmp/from_scwrl_1975923849_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1975923849_b.pdb or /var/tmp/from_scwrl_1975923849_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1975923849_a.pdb or decoys//var/tmp/from_scwrl_1975923849_a.pdb.gz for input Trying /var/tmp/from_scwrl_1975923849_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1975923849_a.pdb or /var/tmp/from_scwrl_1975923849_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1975923849.pdb or /var/tmp/from_scwrl_1975923849_b.pdb or /var/tmp/from_scwrl_1975923849_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 29 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1606497795.pdb -s /var/tmp/to_scwrl_1606497795.seq -o /var/tmp/from_scwrl_1606497795.pdb > /var/tmp/scwrl_1606497795.log sh: /var/tmp/scwrl_1606497795.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1606497795.pdb or /var/tmp/from_scwrl_1606497795.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1606497795_b.pdb or decoys//var/tmp/from_scwrl_1606497795_b.pdb.gz for input Trying /var/tmp/from_scwrl_1606497795_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1606497795_b.pdb or /var/tmp/from_scwrl_1606497795_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1606497795_a.pdb or decoys//var/tmp/from_scwrl_1606497795_a.pdb.gz for input Trying /var/tmp/from_scwrl_1606497795_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1606497795_a.pdb or /var/tmp/from_scwrl_1606497795_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1606497795.pdb or /var/tmp/from_scwrl_1606497795_b.pdb or /var/tmp/from_scwrl_1606497795_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 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_931613789.pdb -s /var/tmp/to_scwrl_931613789.seq -o /var/tmp/from_scwrl_931613789.pdb > /var/tmp/scwrl_931613789.log sh: /var/tmp/scwrl_931613789.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_931613789.pdb or /var/tmp/from_scwrl_931613789.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_931613789_b.pdb or decoys//var/tmp/from_scwrl_931613789_b.pdb.gz for input Trying /var/tmp/from_scwrl_931613789_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_931613789_b.pdb or /var/tmp/from_scwrl_931613789_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_931613789_a.pdb or decoys//var/tmp/from_scwrl_931613789_a.pdb.gz for input Trying /var/tmp/from_scwrl_931613789_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_931613789_a.pdb or /var/tmp/from_scwrl_931613789_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_931613789.pdb or /var/tmp/from_scwrl_931613789_b.pdb or /var/tmp/from_scwrl_931613789_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 31 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_918318614.pdb -s /var/tmp/to_scwrl_918318614.seq -o /var/tmp/from_scwrl_918318614.pdb > /var/tmp/scwrl_918318614.log sh: /var/tmp/scwrl_918318614.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_918318614.pdb or /var/tmp/from_scwrl_918318614.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_918318614_b.pdb or decoys//var/tmp/from_scwrl_918318614_b.pdb.gz for input Trying /var/tmp/from_scwrl_918318614_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_918318614_b.pdb or /var/tmp/from_scwrl_918318614_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_918318614_a.pdb or decoys//var/tmp/from_scwrl_918318614_a.pdb.gz for input Trying /var/tmp/from_scwrl_918318614_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_918318614_a.pdb or /var/tmp/from_scwrl_918318614_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_918318614.pdb or /var/tmp/from_scwrl_918318614_b.pdb or /var/tmp/from_scwrl_918318614_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 143 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1159152272.pdb -s /var/tmp/to_scwrl_1159152272.seq -o /var/tmp/from_scwrl_1159152272.pdb > /var/tmp/scwrl_1159152272.log sh: /var/tmp/scwrl_1159152272.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1159152272.pdb or /var/tmp/from_scwrl_1159152272.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1159152272_b.pdb or decoys//var/tmp/from_scwrl_1159152272_b.pdb.gz for input Trying /var/tmp/from_scwrl_1159152272_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1159152272_b.pdb or /var/tmp/from_scwrl_1159152272_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1159152272_a.pdb or decoys//var/tmp/from_scwrl_1159152272_a.pdb.gz for input Trying /var/tmp/from_scwrl_1159152272_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1159152272_a.pdb or /var/tmp/from_scwrl_1159152272_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1159152272.pdb or /var/tmp/from_scwrl_1159152272_b.pdb or /var/tmp/from_scwrl_1159152272_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 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1208907845.pdb -s /var/tmp/to_scwrl_1208907845.seq -o /var/tmp/from_scwrl_1208907845.pdb > /var/tmp/scwrl_1208907845.log sh: /var/tmp/scwrl_1208907845.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1208907845.pdb or /var/tmp/from_scwrl_1208907845.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1208907845_b.pdb or decoys//var/tmp/from_scwrl_1208907845_b.pdb.gz for input Trying /var/tmp/from_scwrl_1208907845_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1208907845_b.pdb or /var/tmp/from_scwrl_1208907845_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1208907845_a.pdb or decoys//var/tmp/from_scwrl_1208907845_a.pdb.gz for input Trying /var/tmp/from_scwrl_1208907845_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1208907845_a.pdb or /var/tmp/from_scwrl_1208907845_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1208907845.pdb or /var/tmp/from_scwrl_1208907845_b.pdb or /var/tmp/from_scwrl_1208907845_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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_213106262.pdb -s /var/tmp/to_scwrl_213106262.seq -o /var/tmp/from_scwrl_213106262.pdb > /var/tmp/scwrl_213106262.log sh: /var/tmp/scwrl_213106262.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_213106262.pdb or /var/tmp/from_scwrl_213106262.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_213106262_b.pdb or decoys//var/tmp/from_scwrl_213106262_b.pdb.gz for input Trying /var/tmp/from_scwrl_213106262_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_213106262_b.pdb or /var/tmp/from_scwrl_213106262_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_213106262_a.pdb or decoys//var/tmp/from_scwrl_213106262_a.pdb.gz for input Trying /var/tmp/from_scwrl_213106262_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_213106262_a.pdb or /var/tmp/from_scwrl_213106262_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_213106262.pdb or /var/tmp/from_scwrl_213106262_b.pdb or /var/tmp/from_scwrl_213106262_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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1797911706.pdb -s /var/tmp/to_scwrl_1797911706.seq -o /var/tmp/from_scwrl_1797911706.pdb > /var/tmp/scwrl_1797911706.log sh: /var/tmp/scwrl_1797911706.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1797911706.pdb or /var/tmp/from_scwrl_1797911706.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1797911706_b.pdb or decoys//var/tmp/from_scwrl_1797911706_b.pdb.gz for input Trying /var/tmp/from_scwrl_1797911706_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1797911706_b.pdb or /var/tmp/from_scwrl_1797911706_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1797911706_a.pdb or decoys//var/tmp/from_scwrl_1797911706_a.pdb.gz for input Trying /var/tmp/from_scwrl_1797911706_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1797911706_a.pdb or /var/tmp/from_scwrl_1797911706_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1797911706.pdb or /var/tmp/from_scwrl_1797911706_b.pdb or /var/tmp/from_scwrl_1797911706_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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1566935957.pdb -s /var/tmp/to_scwrl_1566935957.seq -o /var/tmp/from_scwrl_1566935957.pdb > /var/tmp/scwrl_1566935957.log sh: /var/tmp/scwrl_1566935957.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1566935957.pdb or /var/tmp/from_scwrl_1566935957.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1566935957_b.pdb or decoys//var/tmp/from_scwrl_1566935957_b.pdb.gz for input Trying /var/tmp/from_scwrl_1566935957_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1566935957_b.pdb or /var/tmp/from_scwrl_1566935957_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1566935957_a.pdb or decoys//var/tmp/from_scwrl_1566935957_a.pdb.gz for input Trying /var/tmp/from_scwrl_1566935957_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1566935957_a.pdb or /var/tmp/from_scwrl_1566935957_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1566935957.pdb or /var/tmp/from_scwrl_1566935957_b.pdb or /var/tmp/from_scwrl_1566935957_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 154 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1666021882.pdb -s /var/tmp/to_scwrl_1666021882.seq -o /var/tmp/from_scwrl_1666021882.pdb > /var/tmp/scwrl_1666021882.log sh: /var/tmp/scwrl_1666021882.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1666021882.pdb or /var/tmp/from_scwrl_1666021882.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1666021882_b.pdb or decoys//var/tmp/from_scwrl_1666021882_b.pdb.gz for input Trying /var/tmp/from_scwrl_1666021882_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1666021882_b.pdb or /var/tmp/from_scwrl_1666021882_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1666021882_a.pdb or decoys//var/tmp/from_scwrl_1666021882_a.pdb.gz for input Trying /var/tmp/from_scwrl_1666021882_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1666021882_a.pdb or /var/tmp/from_scwrl_1666021882_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1666021882.pdb or /var/tmp/from_scwrl_1666021882_b.pdb or /var/tmp/from_scwrl_1666021882_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 154 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_850006262.pdb -s /var/tmp/to_scwrl_850006262.seq -o /var/tmp/from_scwrl_850006262.pdb > /var/tmp/scwrl_850006262.log sh: /var/tmp/scwrl_850006262.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_850006262.pdb or /var/tmp/from_scwrl_850006262.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_850006262_b.pdb or decoys//var/tmp/from_scwrl_850006262_b.pdb.gz for input Trying /var/tmp/from_scwrl_850006262_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_850006262_b.pdb or /var/tmp/from_scwrl_850006262_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_850006262_a.pdb or decoys//var/tmp/from_scwrl_850006262_a.pdb.gz for input Trying /var/tmp/from_scwrl_850006262_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_850006262_a.pdb or /var/tmp/from_scwrl_850006262_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_850006262.pdb or /var/tmp/from_scwrl_850006262_b.pdb or /var/tmp/from_scwrl_850006262_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 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1281050230.pdb -s /var/tmp/to_scwrl_1281050230.seq -o /var/tmp/from_scwrl_1281050230.pdb > /var/tmp/scwrl_1281050230.log sh: /var/tmp/scwrl_1281050230.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1281050230.pdb or /var/tmp/from_scwrl_1281050230.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1281050230_b.pdb or decoys//var/tmp/from_scwrl_1281050230_b.pdb.gz for input Trying /var/tmp/from_scwrl_1281050230_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1281050230_b.pdb or /var/tmp/from_scwrl_1281050230_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1281050230_a.pdb or decoys//var/tmp/from_scwrl_1281050230_a.pdb.gz for input Trying /var/tmp/from_scwrl_1281050230_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1281050230_a.pdb or /var/tmp/from_scwrl_1281050230_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1281050230.pdb or /var/tmp/from_scwrl_1281050230_b.pdb or /var/tmp/from_scwrl_1281050230_a.pdb Error: no new SCWRL conformation added # naming current conformation NN_PUT_lab_TS1-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 142 ; scwrl3 -i /var/tmp/to_scwrl_82491126.pdb -s /var/tmp/to_scwrl_82491126.seq -o /var/tmp/from_scwrl_82491126.pdb > /var/tmp/scwrl_82491126.log sh: /var/tmp/scwrl_82491126.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_82491126.pdb or /var/tmp/from_scwrl_82491126.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_82491126_b.pdb or decoys//var/tmp/from_scwrl_82491126_b.pdb.gz for input Trying /var/tmp/from_scwrl_82491126_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_82491126_b.pdb or /var/tmp/from_scwrl_82491126_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_82491126_a.pdb or decoys//var/tmp/from_scwrl_82491126_a.pdb.gz for input Trying /var/tmp/from_scwrl_82491126_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_82491126_a.pdb or /var/tmp/from_scwrl_82491126_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_82491126.pdb or /var/tmp/from_scwrl_82491126_b.pdb or /var/tmp/from_scwrl_82491126_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 142 ; scwrl3 -i /var/tmp/to_scwrl_1233272056.pdb -s /var/tmp/to_scwrl_1233272056.seq -o /var/tmp/from_scwrl_1233272056.pdb > /var/tmp/scwrl_1233272056.log sh: /var/tmp/scwrl_1233272056.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1233272056.pdb or /var/tmp/from_scwrl_1233272056.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1233272056_b.pdb or decoys//var/tmp/from_scwrl_1233272056_b.pdb.gz for input Trying /var/tmp/from_scwrl_1233272056_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1233272056_b.pdb or /var/tmp/from_scwrl_1233272056_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1233272056_a.pdb or decoys//var/tmp/from_scwrl_1233272056_a.pdb.gz for input Trying /var/tmp/from_scwrl_1233272056_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1233272056_a.pdb or /var/tmp/from_scwrl_1233272056_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1233272056.pdb or /var/tmp/from_scwrl_1233272056_b.pdb or /var/tmp/from_scwrl_1233272056_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 142 ; scwrl3 -i /var/tmp/to_scwrl_1949125435.pdb -s /var/tmp/to_scwrl_1949125435.seq -o /var/tmp/from_scwrl_1949125435.pdb > /var/tmp/scwrl_1949125435.log sh: /var/tmp/scwrl_1949125435.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1949125435.pdb or /var/tmp/from_scwrl_1949125435.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949125435_b.pdb or decoys//var/tmp/from_scwrl_1949125435_b.pdb.gz for input Trying /var/tmp/from_scwrl_1949125435_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949125435_b.pdb or /var/tmp/from_scwrl_1949125435_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949125435_a.pdb or decoys//var/tmp/from_scwrl_1949125435_a.pdb.gz for input Trying /var/tmp/from_scwrl_1949125435_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949125435_a.pdb or /var/tmp/from_scwrl_1949125435_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1949125435.pdb or /var/tmp/from_scwrl_1949125435_b.pdb or /var/tmp/from_scwrl_1949125435_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 142 ; scwrl3 -i /var/tmp/to_scwrl_1102522039.pdb -s /var/tmp/to_scwrl_1102522039.seq -o /var/tmp/from_scwrl_1102522039.pdb > /var/tmp/scwrl_1102522039.log sh: /var/tmp/scwrl_1102522039.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1102522039.pdb or /var/tmp/from_scwrl_1102522039.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1102522039_b.pdb or decoys//var/tmp/from_scwrl_1102522039_b.pdb.gz for input Trying /var/tmp/from_scwrl_1102522039_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1102522039_b.pdb or /var/tmp/from_scwrl_1102522039_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1102522039_a.pdb or decoys//var/tmp/from_scwrl_1102522039_a.pdb.gz for input Trying /var/tmp/from_scwrl_1102522039_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1102522039_a.pdb or /var/tmp/from_scwrl_1102522039_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1102522039.pdb or /var/tmp/from_scwrl_1102522039_b.pdb or /var/tmp/from_scwrl_1102522039_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 142 ; scwrl3 -i /var/tmp/to_scwrl_867942783.pdb -s /var/tmp/to_scwrl_867942783.seq -o /var/tmp/from_scwrl_867942783.pdb > /var/tmp/scwrl_867942783.log sh: /var/tmp/scwrl_867942783.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_867942783.pdb or /var/tmp/from_scwrl_867942783.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_867942783_b.pdb or decoys//var/tmp/from_scwrl_867942783_b.pdb.gz for input Trying /var/tmp/from_scwrl_867942783_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_867942783_b.pdb or /var/tmp/from_scwrl_867942783_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_867942783_a.pdb or decoys//var/tmp/from_scwrl_867942783_a.pdb.gz for input Trying /var/tmp/from_scwrl_867942783_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_867942783_a.pdb or /var/tmp/from_scwrl_867942783_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_867942783.pdb or /var/tmp/from_scwrl_867942783_b.pdb or /var/tmp/from_scwrl_867942783_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1507642592.pdb -s /var/tmp/to_scwrl_1507642592.seq -o /var/tmp/from_scwrl_1507642592.pdb > /var/tmp/scwrl_1507642592.log sh: /var/tmp/scwrl_1507642592.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1507642592.pdb or /var/tmp/from_scwrl_1507642592.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1507642592_b.pdb or decoys//var/tmp/from_scwrl_1507642592_b.pdb.gz for input Trying /var/tmp/from_scwrl_1507642592_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1507642592_b.pdb or /var/tmp/from_scwrl_1507642592_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1507642592_a.pdb or decoys//var/tmp/from_scwrl_1507642592_a.pdb.gz for input Trying /var/tmp/from_scwrl_1507642592_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1507642592_a.pdb or /var/tmp/from_scwrl_1507642592_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1507642592.pdb or /var/tmp/from_scwrl_1507642592_b.pdb or /var/tmp/from_scwrl_1507642592_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_231001212.pdb -s /var/tmp/to_scwrl_231001212.seq -o /var/tmp/from_scwrl_231001212.pdb > /var/tmp/scwrl_231001212.log sh: /var/tmp/scwrl_231001212.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_231001212.pdb or /var/tmp/from_scwrl_231001212.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_231001212_b.pdb or decoys//var/tmp/from_scwrl_231001212_b.pdb.gz for input Trying /var/tmp/from_scwrl_231001212_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_231001212_b.pdb or /var/tmp/from_scwrl_231001212_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_231001212_a.pdb or decoys//var/tmp/from_scwrl_231001212_a.pdb.gz for input Trying /var/tmp/from_scwrl_231001212_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_231001212_a.pdb or /var/tmp/from_scwrl_231001212_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_231001212.pdb or /var/tmp/from_scwrl_231001212_b.pdb or /var/tmp/from_scwrl_231001212_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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1993937999.pdb -s /var/tmp/to_scwrl_1993937999.seq -o /var/tmp/from_scwrl_1993937999.pdb > /var/tmp/scwrl_1993937999.log sh: /var/tmp/scwrl_1993937999.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1993937999.pdb or /var/tmp/from_scwrl_1993937999.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1993937999_b.pdb or decoys//var/tmp/from_scwrl_1993937999_b.pdb.gz for input Trying /var/tmp/from_scwrl_1993937999_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1993937999_b.pdb or /var/tmp/from_scwrl_1993937999_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1993937999_a.pdb or decoys//var/tmp/from_scwrl_1993937999_a.pdb.gz for input Trying /var/tmp/from_scwrl_1993937999_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1993937999_a.pdb or /var/tmp/from_scwrl_1993937999_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1993937999.pdb or /var/tmp/from_scwrl_1993937999_b.pdb or /var/tmp/from_scwrl_1993937999_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1568042647.pdb -s /var/tmp/to_scwrl_1568042647.seq -o /var/tmp/from_scwrl_1568042647.pdb > /var/tmp/scwrl_1568042647.log sh: /var/tmp/scwrl_1568042647.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1568042647.pdb or /var/tmp/from_scwrl_1568042647.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1568042647_b.pdb or decoys//var/tmp/from_scwrl_1568042647_b.pdb.gz for input Trying /var/tmp/from_scwrl_1568042647_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1568042647_b.pdb or /var/tmp/from_scwrl_1568042647_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1568042647_a.pdb or decoys//var/tmp/from_scwrl_1568042647_a.pdb.gz for input Trying /var/tmp/from_scwrl_1568042647_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1568042647_a.pdb or /var/tmp/from_scwrl_1568042647_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1568042647.pdb or /var/tmp/from_scwrl_1568042647_b.pdb or /var/tmp/from_scwrl_1568042647_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2094395305.pdb -s /var/tmp/to_scwrl_2094395305.seq -o /var/tmp/from_scwrl_2094395305.pdb > /var/tmp/scwrl_2094395305.log sh: /var/tmp/scwrl_2094395305.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2094395305.pdb or /var/tmp/from_scwrl_2094395305.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094395305_b.pdb or decoys//var/tmp/from_scwrl_2094395305_b.pdb.gz for input Trying /var/tmp/from_scwrl_2094395305_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094395305_b.pdb or /var/tmp/from_scwrl_2094395305_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094395305_a.pdb or decoys//var/tmp/from_scwrl_2094395305_a.pdb.gz for input Trying /var/tmp/from_scwrl_2094395305_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094395305_a.pdb or /var/tmp/from_scwrl_2094395305_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2094395305.pdb or /var/tmp/from_scwrl_2094395305_b.pdb or /var/tmp/from_scwrl_2094395305_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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_791687602.pdb -s /var/tmp/to_scwrl_791687602.seq -o /var/tmp/from_scwrl_791687602.pdb > /var/tmp/scwrl_791687602.log sh: /var/tmp/scwrl_791687602.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_791687602.pdb or /var/tmp/from_scwrl_791687602.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_791687602_b.pdb or decoys//var/tmp/from_scwrl_791687602_b.pdb.gz for input Trying /var/tmp/from_scwrl_791687602_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_791687602_b.pdb or /var/tmp/from_scwrl_791687602_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_791687602_a.pdb or decoys//var/tmp/from_scwrl_791687602_a.pdb.gz for input Trying /var/tmp/from_scwrl_791687602_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_791687602_a.pdb or /var/tmp/from_scwrl_791687602_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_791687602.pdb or /var/tmp/from_scwrl_791687602_b.pdb or /var/tmp/from_scwrl_791687602_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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1560415124.pdb -s /var/tmp/to_scwrl_1560415124.seq -o /var/tmp/from_scwrl_1560415124.pdb > /var/tmp/scwrl_1560415124.log sh: /var/tmp/scwrl_1560415124.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1560415124.pdb or /var/tmp/from_scwrl_1560415124.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1560415124_b.pdb or decoys//var/tmp/from_scwrl_1560415124_b.pdb.gz for input Trying /var/tmp/from_scwrl_1560415124_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1560415124_b.pdb or /var/tmp/from_scwrl_1560415124_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1560415124_a.pdb or decoys//var/tmp/from_scwrl_1560415124_a.pdb.gz for input Trying /var/tmp/from_scwrl_1560415124_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1560415124_a.pdb or /var/tmp/from_scwrl_1560415124_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1560415124.pdb or /var/tmp/from_scwrl_1560415124_b.pdb or /var/tmp/from_scwrl_1560415124_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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_934028706.pdb -s /var/tmp/to_scwrl_934028706.seq -o /var/tmp/from_scwrl_934028706.pdb > /var/tmp/scwrl_934028706.log sh: /var/tmp/scwrl_934028706.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_934028706.pdb or /var/tmp/from_scwrl_934028706.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_934028706_b.pdb or decoys//var/tmp/from_scwrl_934028706_b.pdb.gz for input Trying /var/tmp/from_scwrl_934028706_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_934028706_b.pdb or /var/tmp/from_scwrl_934028706_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_934028706_a.pdb or decoys//var/tmp/from_scwrl_934028706_a.pdb.gz for input Trying /var/tmp/from_scwrl_934028706_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_934028706_a.pdb or /var/tmp/from_scwrl_934028706_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_934028706.pdb or /var/tmp/from_scwrl_934028706_b.pdb or /var/tmp/from_scwrl_934028706_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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1783727128.pdb -s /var/tmp/to_scwrl_1783727128.seq -o /var/tmp/from_scwrl_1783727128.pdb > /var/tmp/scwrl_1783727128.log sh: /var/tmp/scwrl_1783727128.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1783727128.pdb or /var/tmp/from_scwrl_1783727128.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1783727128_b.pdb or decoys//var/tmp/from_scwrl_1783727128_b.pdb.gz for input Trying /var/tmp/from_scwrl_1783727128_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1783727128_b.pdb or /var/tmp/from_scwrl_1783727128_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1783727128_a.pdb or decoys//var/tmp/from_scwrl_1783727128_a.pdb.gz for input Trying /var/tmp/from_scwrl_1783727128_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1783727128_a.pdb or /var/tmp/from_scwrl_1783727128_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1783727128.pdb or /var/tmp/from_scwrl_1783727128_b.pdb or /var/tmp/from_scwrl_1783727128_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 T0322 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_726991096.pdb -s /var/tmp/to_scwrl_726991096.seq -o /var/tmp/from_scwrl_726991096.pdb > /var/tmp/scwrl_726991096.log sh: /var/tmp/scwrl_726991096.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_726991096.pdb or /var/tmp/from_scwrl_726991096.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726991096_b.pdb or decoys//var/tmp/from_scwrl_726991096_b.pdb.gz for input Trying /var/tmp/from_scwrl_726991096_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_726991096_b.pdb or /var/tmp/from_scwrl_726991096_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726991096_a.pdb or decoys//var/tmp/from_scwrl_726991096_a.pdb.gz for input Trying /var/tmp/from_scwrl_726991096_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_726991096_a.pdb or /var/tmp/from_scwrl_726991096_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_726991096.pdb or /var/tmp/from_scwrl_726991096_b.pdb or /var/tmp/from_scwrl_726991096_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 T0322 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_959027600.pdb -s /var/tmp/to_scwrl_959027600.seq -o /var/tmp/from_scwrl_959027600.pdb > /var/tmp/scwrl_959027600.log sh: /var/tmp/scwrl_959027600.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_959027600.pdb or /var/tmp/from_scwrl_959027600.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_959027600_b.pdb or decoys//var/tmp/from_scwrl_959027600_b.pdb.gz for input Trying /var/tmp/from_scwrl_959027600_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_959027600_b.pdb or /var/tmp/from_scwrl_959027600_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_959027600_a.pdb or decoys//var/tmp/from_scwrl_959027600_a.pdb.gz for input Trying /var/tmp/from_scwrl_959027600_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_959027600_a.pdb or /var/tmp/from_scwrl_959027600_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_959027600.pdb or /var/tmp/from_scwrl_959027600_b.pdb or /var/tmp/from_scwrl_959027600_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 T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_1713430042.pdb -s /var/tmp/to_scwrl_1713430042.seq -o /var/tmp/from_scwrl_1713430042.pdb > /var/tmp/scwrl_1713430042.log sh: /var/tmp/scwrl_1713430042.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1713430042.pdb or /var/tmp/from_scwrl_1713430042.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1713430042_b.pdb or decoys//var/tmp/from_scwrl_1713430042_b.pdb.gz for input Trying /var/tmp/from_scwrl_1713430042_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1713430042_b.pdb or /var/tmp/from_scwrl_1713430042_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1713430042_a.pdb or decoys//var/tmp/from_scwrl_1713430042_a.pdb.gz for input Trying /var/tmp/from_scwrl_1713430042_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1713430042_a.pdb or /var/tmp/from_scwrl_1713430042_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1713430042.pdb or /var/tmp/from_scwrl_1713430042_b.pdb or /var/tmp/from_scwrl_1713430042_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 T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_1353829705.pdb -s /var/tmp/to_scwrl_1353829705.seq -o /var/tmp/from_scwrl_1353829705.pdb > /var/tmp/scwrl_1353829705.log sh: /var/tmp/scwrl_1353829705.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1353829705.pdb or /var/tmp/from_scwrl_1353829705.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1353829705_b.pdb or decoys//var/tmp/from_scwrl_1353829705_b.pdb.gz for input Trying /var/tmp/from_scwrl_1353829705_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1353829705_b.pdb or /var/tmp/from_scwrl_1353829705_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1353829705_a.pdb or decoys//var/tmp/from_scwrl_1353829705_a.pdb.gz for input Trying /var/tmp/from_scwrl_1353829705_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1353829705_a.pdb or /var/tmp/from_scwrl_1353829705_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1353829705.pdb or /var/tmp/from_scwrl_1353829705_b.pdb or /var/tmp/from_scwrl_1353829705_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 T0322 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_699177345.pdb -s /var/tmp/to_scwrl_699177345.seq -o /var/tmp/from_scwrl_699177345.pdb > /var/tmp/scwrl_699177345.log sh: /var/tmp/scwrl_699177345.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_699177345.pdb or /var/tmp/from_scwrl_699177345.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_699177345_b.pdb or decoys//var/tmp/from_scwrl_699177345_b.pdb.gz for input Trying /var/tmp/from_scwrl_699177345_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_699177345_b.pdb or /var/tmp/from_scwrl_699177345_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_699177345_a.pdb or decoys//var/tmp/from_scwrl_699177345_a.pdb.gz for input Trying /var/tmp/from_scwrl_699177345_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_699177345_a.pdb or /var/tmp/from_scwrl_699177345_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_699177345.pdb or /var/tmp/from_scwrl_699177345_b.pdb or /var/tmp/from_scwrl_699177345_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 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1541870245.pdb -s /var/tmp/to_scwrl_1541870245.seq -o /var/tmp/from_scwrl_1541870245.pdb > /var/tmp/scwrl_1541870245.log sh: /var/tmp/scwrl_1541870245.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1541870245.pdb or /var/tmp/from_scwrl_1541870245.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1541870245_b.pdb or decoys//var/tmp/from_scwrl_1541870245_b.pdb.gz for input Trying /var/tmp/from_scwrl_1541870245_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1541870245_b.pdb or /var/tmp/from_scwrl_1541870245_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1541870245_a.pdb or decoys//var/tmp/from_scwrl_1541870245_a.pdb.gz for input Trying /var/tmp/from_scwrl_1541870245_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1541870245_a.pdb or /var/tmp/from_scwrl_1541870245_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1541870245.pdb or /var/tmp/from_scwrl_1541870245_b.pdb or /var/tmp/from_scwrl_1541870245_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 T0322 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 142 ; scwrl3 -i /var/tmp/to_scwrl_812843854.pdb -s /var/tmp/to_scwrl_812843854.seq -o /var/tmp/from_scwrl_812843854.pdb > /var/tmp/scwrl_812843854.log sh: /var/tmp/scwrl_812843854.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_812843854.pdb or /var/tmp/from_scwrl_812843854.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_812843854_b.pdb or decoys//var/tmp/from_scwrl_812843854_b.pdb.gz for input Trying /var/tmp/from_scwrl_812843854_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_812843854_b.pdb or /var/tmp/from_scwrl_812843854_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_812843854_a.pdb or decoys//var/tmp/from_scwrl_812843854_a.pdb.gz for input Trying /var/tmp/from_scwrl_812843854_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_812843854_a.pdb or /var/tmp/from_scwrl_812843854_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_812843854.pdb or /var/tmp/from_scwrl_812843854_b.pdb or /var/tmp/from_scwrl_812843854_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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1630791133.pdb -s /var/tmp/to_scwrl_1630791133.seq -o /var/tmp/from_scwrl_1630791133.pdb > /var/tmp/scwrl_1630791133.log sh: /var/tmp/scwrl_1630791133.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1630791133.pdb or /var/tmp/from_scwrl_1630791133.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630791133_b.pdb or decoys//var/tmp/from_scwrl_1630791133_b.pdb.gz for input Trying /var/tmp/from_scwrl_1630791133_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630791133_b.pdb or /var/tmp/from_scwrl_1630791133_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630791133_a.pdb or decoys//var/tmp/from_scwrl_1630791133_a.pdb.gz for input Trying /var/tmp/from_scwrl_1630791133_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630791133_a.pdb or /var/tmp/from_scwrl_1630791133_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1630791133.pdb or /var/tmp/from_scwrl_1630791133_b.pdb or /var/tmp/from_scwrl_1630791133_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_312705212.pdb -s /var/tmp/to_scwrl_312705212.seq -o /var/tmp/from_scwrl_312705212.pdb > /var/tmp/scwrl_312705212.log sh: /var/tmp/scwrl_312705212.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_312705212.pdb or /var/tmp/from_scwrl_312705212.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_312705212_b.pdb or decoys//var/tmp/from_scwrl_312705212_b.pdb.gz for input Trying /var/tmp/from_scwrl_312705212_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_312705212_b.pdb or /var/tmp/from_scwrl_312705212_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_312705212_a.pdb or decoys//var/tmp/from_scwrl_312705212_a.pdb.gz for input Trying /var/tmp/from_scwrl_312705212_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_312705212_a.pdb or /var/tmp/from_scwrl_312705212_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_312705212.pdb or /var/tmp/from_scwrl_312705212_b.pdb or /var/tmp/from_scwrl_312705212_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1971996126.pdb -s /var/tmp/to_scwrl_1971996126.seq -o /var/tmp/from_scwrl_1971996126.pdb > /var/tmp/scwrl_1971996126.log sh: /var/tmp/scwrl_1971996126.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1971996126.pdb or /var/tmp/from_scwrl_1971996126.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1971996126_b.pdb or decoys//var/tmp/from_scwrl_1971996126_b.pdb.gz for input Trying /var/tmp/from_scwrl_1971996126_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1971996126_b.pdb or /var/tmp/from_scwrl_1971996126_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1971996126_a.pdb or decoys//var/tmp/from_scwrl_1971996126_a.pdb.gz for input Trying /var/tmp/from_scwrl_1971996126_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1971996126_a.pdb or /var/tmp/from_scwrl_1971996126_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1971996126.pdb or /var/tmp/from_scwrl_1971996126_b.pdb or /var/tmp/from_scwrl_1971996126_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 T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_692215332.pdb -s /var/tmp/to_scwrl_692215332.seq -o /var/tmp/from_scwrl_692215332.pdb > /var/tmp/scwrl_692215332.log sh: /var/tmp/scwrl_692215332.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_692215332.pdb or /var/tmp/from_scwrl_692215332.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_692215332_b.pdb or decoys//var/tmp/from_scwrl_692215332_b.pdb.gz for input Trying /var/tmp/from_scwrl_692215332_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_692215332_b.pdb or /var/tmp/from_scwrl_692215332_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_692215332_a.pdb or decoys//var/tmp/from_scwrl_692215332_a.pdb.gz for input Trying /var/tmp/from_scwrl_692215332_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_692215332_a.pdb or /var/tmp/from_scwrl_692215332_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_692215332.pdb or /var/tmp/from_scwrl_692215332_b.pdb or /var/tmp/from_scwrl_692215332_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_525811474.pdb -s /var/tmp/to_scwrl_525811474.seq -o /var/tmp/from_scwrl_525811474.pdb > /var/tmp/scwrl_525811474.log sh: /var/tmp/scwrl_525811474.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_525811474.pdb or /var/tmp/from_scwrl_525811474.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_525811474_b.pdb or decoys//var/tmp/from_scwrl_525811474_b.pdb.gz for input Trying /var/tmp/from_scwrl_525811474_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_525811474_b.pdb or /var/tmp/from_scwrl_525811474_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_525811474_a.pdb or decoys//var/tmp/from_scwrl_525811474_a.pdb.gz for input Trying /var/tmp/from_scwrl_525811474_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_525811474_a.pdb or /var/tmp/from_scwrl_525811474_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_525811474.pdb or /var/tmp/from_scwrl_525811474_b.pdb or /var/tmp/from_scwrl_525811474_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 31 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1622424185.pdb -s /var/tmp/to_scwrl_1622424185.seq -o /var/tmp/from_scwrl_1622424185.pdb > /var/tmp/scwrl_1622424185.log sh: /var/tmp/scwrl_1622424185.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1622424185.pdb or /var/tmp/from_scwrl_1622424185.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1622424185_b.pdb or decoys//var/tmp/from_scwrl_1622424185_b.pdb.gz for input Trying /var/tmp/from_scwrl_1622424185_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1622424185_b.pdb or /var/tmp/from_scwrl_1622424185_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1622424185_a.pdb or decoys//var/tmp/from_scwrl_1622424185_a.pdb.gz for input Trying /var/tmp/from_scwrl_1622424185_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1622424185_a.pdb or /var/tmp/from_scwrl_1622424185_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1622424185.pdb or /var/tmp/from_scwrl_1622424185_b.pdb or /var/tmp/from_scwrl_1622424185_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_111667642.pdb -s /var/tmp/to_scwrl_111667642.seq -o /var/tmp/from_scwrl_111667642.pdb > /var/tmp/scwrl_111667642.log sh: /var/tmp/scwrl_111667642.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_111667642.pdb or /var/tmp/from_scwrl_111667642.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_111667642_b.pdb or decoys//var/tmp/from_scwrl_111667642_b.pdb.gz for input Trying /var/tmp/from_scwrl_111667642_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_111667642_b.pdb or /var/tmp/from_scwrl_111667642_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_111667642_a.pdb or decoys//var/tmp/from_scwrl_111667642_a.pdb.gz for input Trying /var/tmp/from_scwrl_111667642_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_111667642_a.pdb or /var/tmp/from_scwrl_111667642_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_111667642.pdb or /var/tmp/from_scwrl_111667642_b.pdb or /var/tmp/from_scwrl_111667642_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_44349709.pdb -s /var/tmp/to_scwrl_44349709.seq -o /var/tmp/from_scwrl_44349709.pdb > /var/tmp/scwrl_44349709.log sh: /var/tmp/scwrl_44349709.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_44349709.pdb or /var/tmp/from_scwrl_44349709.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_44349709_b.pdb or decoys//var/tmp/from_scwrl_44349709_b.pdb.gz for input Trying /var/tmp/from_scwrl_44349709_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_44349709_b.pdb or /var/tmp/from_scwrl_44349709_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_44349709_a.pdb or decoys//var/tmp/from_scwrl_44349709_a.pdb.gz for input Trying /var/tmp/from_scwrl_44349709_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_44349709_a.pdb or /var/tmp/from_scwrl_44349709_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_44349709.pdb or /var/tmp/from_scwrl_44349709_b.pdb or /var/tmp/from_scwrl_44349709_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_324946801.pdb -s /var/tmp/to_scwrl_324946801.seq -o /var/tmp/from_scwrl_324946801.pdb > /var/tmp/scwrl_324946801.log sh: /var/tmp/scwrl_324946801.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_324946801.pdb or /var/tmp/from_scwrl_324946801.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_324946801_b.pdb or decoys//var/tmp/from_scwrl_324946801_b.pdb.gz for input Trying /var/tmp/from_scwrl_324946801_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_324946801_b.pdb or /var/tmp/from_scwrl_324946801_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_324946801_a.pdb or decoys//var/tmp/from_scwrl_324946801_a.pdb.gz for input Trying /var/tmp/from_scwrl_324946801_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_324946801_a.pdb or /var/tmp/from_scwrl_324946801_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_324946801.pdb or /var/tmp/from_scwrl_324946801_b.pdb or /var/tmp/from_scwrl_324946801_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 80 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1392717873.pdb -s /var/tmp/to_scwrl_1392717873.seq -o /var/tmp/from_scwrl_1392717873.pdb > /var/tmp/scwrl_1392717873.log sh: /var/tmp/scwrl_1392717873.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1392717873.pdb or /var/tmp/from_scwrl_1392717873.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1392717873_b.pdb or decoys//var/tmp/from_scwrl_1392717873_b.pdb.gz for input Trying /var/tmp/from_scwrl_1392717873_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1392717873_b.pdb or /var/tmp/from_scwrl_1392717873_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1392717873_a.pdb or decoys//var/tmp/from_scwrl_1392717873_a.pdb.gz for input Trying /var/tmp/from_scwrl_1392717873_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1392717873_a.pdb or /var/tmp/from_scwrl_1392717873_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1392717873.pdb or /var/tmp/from_scwrl_1392717873_b.pdb or /var/tmp/from_scwrl_1392717873_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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_126840835.pdb -s /var/tmp/to_scwrl_126840835.seq -o /var/tmp/from_scwrl_126840835.pdb > /var/tmp/scwrl_126840835.log sh: /var/tmp/scwrl_126840835.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_126840835.pdb or /var/tmp/from_scwrl_126840835.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_126840835_b.pdb or decoys//var/tmp/from_scwrl_126840835_b.pdb.gz for input Trying /var/tmp/from_scwrl_126840835_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_126840835_b.pdb or /var/tmp/from_scwrl_126840835_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_126840835_a.pdb or decoys//var/tmp/from_scwrl_126840835_a.pdb.gz for input Trying /var/tmp/from_scwrl_126840835_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_126840835_a.pdb or /var/tmp/from_scwrl_126840835_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_126840835.pdb or /var/tmp/from_scwrl_126840835_b.pdb or /var/tmp/from_scwrl_126840835_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 147 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1558218857.pdb -s /var/tmp/to_scwrl_1558218857.seq -o /var/tmp/from_scwrl_1558218857.pdb > /var/tmp/scwrl_1558218857.log sh: /var/tmp/scwrl_1558218857.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1558218857.pdb or /var/tmp/from_scwrl_1558218857.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1558218857_b.pdb or decoys//var/tmp/from_scwrl_1558218857_b.pdb.gz for input Trying /var/tmp/from_scwrl_1558218857_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1558218857_b.pdb or /var/tmp/from_scwrl_1558218857_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1558218857_a.pdb or decoys//var/tmp/from_scwrl_1558218857_a.pdb.gz for input Trying /var/tmp/from_scwrl_1558218857_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1558218857_a.pdb or /var/tmp/from_scwrl_1558218857_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1558218857.pdb or /var/tmp/from_scwrl_1558218857_b.pdb or /var/tmp/from_scwrl_1558218857_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 152 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1194359661.pdb -s /var/tmp/to_scwrl_1194359661.seq -o /var/tmp/from_scwrl_1194359661.pdb > /var/tmp/scwrl_1194359661.log sh: /var/tmp/scwrl_1194359661.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1194359661.pdb or /var/tmp/from_scwrl_1194359661.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1194359661_b.pdb or decoys//var/tmp/from_scwrl_1194359661_b.pdb.gz for input Trying /var/tmp/from_scwrl_1194359661_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1194359661_b.pdb or /var/tmp/from_scwrl_1194359661_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1194359661_a.pdb or decoys//var/tmp/from_scwrl_1194359661_a.pdb.gz for input Trying /var/tmp/from_scwrl_1194359661_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1194359661_a.pdb or /var/tmp/from_scwrl_1194359661_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1194359661.pdb or /var/tmp/from_scwrl_1194359661_b.pdb or /var/tmp/from_scwrl_1194359661_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 152 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1229362874.pdb -s /var/tmp/to_scwrl_1229362874.seq -o /var/tmp/from_scwrl_1229362874.pdb > /var/tmp/scwrl_1229362874.log sh: /var/tmp/scwrl_1229362874.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1229362874.pdb or /var/tmp/from_scwrl_1229362874.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1229362874_b.pdb or decoys//var/tmp/from_scwrl_1229362874_b.pdb.gz for input Trying /var/tmp/from_scwrl_1229362874_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1229362874_b.pdb or /var/tmp/from_scwrl_1229362874_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1229362874_a.pdb or decoys//var/tmp/from_scwrl_1229362874_a.pdb.gz for input Trying /var/tmp/from_scwrl_1229362874_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1229362874_a.pdb or /var/tmp/from_scwrl_1229362874_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1229362874.pdb or /var/tmp/from_scwrl_1229362874_b.pdb or /var/tmp/from_scwrl_1229362874_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 147 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_278677993.pdb -s /var/tmp/to_scwrl_278677993.seq -o /var/tmp/from_scwrl_278677993.pdb > /var/tmp/scwrl_278677993.log sh: /var/tmp/scwrl_278677993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_278677993.pdb or /var/tmp/from_scwrl_278677993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_278677993_b.pdb or decoys//var/tmp/from_scwrl_278677993_b.pdb.gz for input Trying /var/tmp/from_scwrl_278677993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_278677993_b.pdb or /var/tmp/from_scwrl_278677993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_278677993_a.pdb or decoys//var/tmp/from_scwrl_278677993_a.pdb.gz for input Trying /var/tmp/from_scwrl_278677993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_278677993_a.pdb or /var/tmp/from_scwrl_278677993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_278677993.pdb or /var/tmp/from_scwrl_278677993_b.pdb or /var/tmp/from_scwrl_278677993_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 142 ; scwrl3 -i /var/tmp/to_scwrl_554518608.pdb -s /var/tmp/to_scwrl_554518608.seq -o /var/tmp/from_scwrl_554518608.pdb > /var/tmp/scwrl_554518608.log sh: /var/tmp/scwrl_554518608.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_554518608.pdb or /var/tmp/from_scwrl_554518608.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_554518608_b.pdb or decoys//var/tmp/from_scwrl_554518608_b.pdb.gz for input Trying /var/tmp/from_scwrl_554518608_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_554518608_b.pdb or /var/tmp/from_scwrl_554518608_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_554518608_a.pdb or decoys//var/tmp/from_scwrl_554518608_a.pdb.gz for input Trying /var/tmp/from_scwrl_554518608_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_554518608_a.pdb or /var/tmp/from_scwrl_554518608_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_554518608.pdb or /var/tmp/from_scwrl_554518608_b.pdb or /var/tmp/from_scwrl_554518608_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 142 ; scwrl3 -i /var/tmp/to_scwrl_1460364087.pdb -s /var/tmp/to_scwrl_1460364087.seq -o /var/tmp/from_scwrl_1460364087.pdb > /var/tmp/scwrl_1460364087.log sh: /var/tmp/scwrl_1460364087.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1460364087.pdb or /var/tmp/from_scwrl_1460364087.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1460364087_b.pdb or decoys//var/tmp/from_scwrl_1460364087_b.pdb.gz for input Trying /var/tmp/from_scwrl_1460364087_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1460364087_b.pdb or /var/tmp/from_scwrl_1460364087_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1460364087_a.pdb or decoys//var/tmp/from_scwrl_1460364087_a.pdb.gz for input Trying /var/tmp/from_scwrl_1460364087_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1460364087_a.pdb or /var/tmp/from_scwrl_1460364087_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1460364087.pdb or /var/tmp/from_scwrl_1460364087_b.pdb or /var/tmp/from_scwrl_1460364087_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_125132345.pdb -s /var/tmp/to_scwrl_125132345.seq -o /var/tmp/from_scwrl_125132345.pdb > /var/tmp/scwrl_125132345.log sh: /var/tmp/scwrl_125132345.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_125132345.pdb or /var/tmp/from_scwrl_125132345.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_125132345_b.pdb or decoys//var/tmp/from_scwrl_125132345_b.pdb.gz for input Trying /var/tmp/from_scwrl_125132345_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_125132345_b.pdb or /var/tmp/from_scwrl_125132345_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_125132345_a.pdb or decoys//var/tmp/from_scwrl_125132345_a.pdb.gz for input Trying /var/tmp/from_scwrl_125132345_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_125132345_a.pdb or /var/tmp/from_scwrl_125132345_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_125132345.pdb or /var/tmp/from_scwrl_125132345_b.pdb or /var/tmp/from_scwrl_125132345_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 55 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2122561255.pdb -s /var/tmp/to_scwrl_2122561255.seq -o /var/tmp/from_scwrl_2122561255.pdb > /var/tmp/scwrl_2122561255.log sh: /var/tmp/scwrl_2122561255.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2122561255.pdb or /var/tmp/from_scwrl_2122561255.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2122561255_b.pdb or decoys//var/tmp/from_scwrl_2122561255_b.pdb.gz for input Trying /var/tmp/from_scwrl_2122561255_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2122561255_b.pdb or /var/tmp/from_scwrl_2122561255_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2122561255_a.pdb or decoys//var/tmp/from_scwrl_2122561255_a.pdb.gz for input Trying /var/tmp/from_scwrl_2122561255_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2122561255_a.pdb or /var/tmp/from_scwrl_2122561255_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2122561255.pdb or /var/tmp/from_scwrl_2122561255_b.pdb or /var/tmp/from_scwrl_2122561255_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1407275745.pdb -s /var/tmp/to_scwrl_1407275745.seq -o /var/tmp/from_scwrl_1407275745.pdb > /var/tmp/scwrl_1407275745.log sh: /var/tmp/scwrl_1407275745.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1407275745.pdb or /var/tmp/from_scwrl_1407275745.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1407275745_b.pdb or decoys//var/tmp/from_scwrl_1407275745_b.pdb.gz for input Trying /var/tmp/from_scwrl_1407275745_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1407275745_b.pdb or /var/tmp/from_scwrl_1407275745_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1407275745_a.pdb or decoys//var/tmp/from_scwrl_1407275745_a.pdb.gz for input Trying /var/tmp/from_scwrl_1407275745_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1407275745_a.pdb or /var/tmp/from_scwrl_1407275745_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1407275745.pdb or /var/tmp/from_scwrl_1407275745_b.pdb or /var/tmp/from_scwrl_1407275745_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 146 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_916819947.pdb -s /var/tmp/to_scwrl_916819947.seq -o /var/tmp/from_scwrl_916819947.pdb > /var/tmp/scwrl_916819947.log sh: /var/tmp/scwrl_916819947.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_916819947.pdb or /var/tmp/from_scwrl_916819947.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_916819947_b.pdb or decoys//var/tmp/from_scwrl_916819947_b.pdb.gz for input Trying /var/tmp/from_scwrl_916819947_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_916819947_b.pdb or /var/tmp/from_scwrl_916819947_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_916819947_a.pdb or decoys//var/tmp/from_scwrl_916819947_a.pdb.gz for input Trying /var/tmp/from_scwrl_916819947_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_916819947_a.pdb or /var/tmp/from_scwrl_916819947_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_916819947.pdb or /var/tmp/from_scwrl_916819947_b.pdb or /var/tmp/from_scwrl_916819947_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 150 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1535492732.pdb -s /var/tmp/to_scwrl_1535492732.seq -o /var/tmp/from_scwrl_1535492732.pdb > /var/tmp/scwrl_1535492732.log sh: /var/tmp/scwrl_1535492732.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1535492732.pdb or /var/tmp/from_scwrl_1535492732.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1535492732_b.pdb or decoys//var/tmp/from_scwrl_1535492732_b.pdb.gz for input Trying /var/tmp/from_scwrl_1535492732_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1535492732_b.pdb or /var/tmp/from_scwrl_1535492732_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1535492732_a.pdb or decoys//var/tmp/from_scwrl_1535492732_a.pdb.gz for input Trying /var/tmp/from_scwrl_1535492732_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1535492732_a.pdb or /var/tmp/from_scwrl_1535492732_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1535492732.pdb or /var/tmp/from_scwrl_1535492732_b.pdb or /var/tmp/from_scwrl_1535492732_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 89 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_193820804.pdb -s /var/tmp/to_scwrl_193820804.seq -o /var/tmp/from_scwrl_193820804.pdb > /var/tmp/scwrl_193820804.log sh: /var/tmp/scwrl_193820804.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_193820804.pdb or /var/tmp/from_scwrl_193820804.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_193820804_b.pdb or decoys//var/tmp/from_scwrl_193820804_b.pdb.gz for input Trying /var/tmp/from_scwrl_193820804_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_193820804_b.pdb or /var/tmp/from_scwrl_193820804_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_193820804_a.pdb or decoys//var/tmp/from_scwrl_193820804_a.pdb.gz for input Trying /var/tmp/from_scwrl_193820804_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_193820804_a.pdb or /var/tmp/from_scwrl_193820804_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_193820804.pdb or /var/tmp/from_scwrl_193820804_b.pdb or /var/tmp/from_scwrl_193820804_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 81 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_553063429.pdb -s /var/tmp/to_scwrl_553063429.seq -o /var/tmp/from_scwrl_553063429.pdb > /var/tmp/scwrl_553063429.log sh: /var/tmp/scwrl_553063429.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_553063429.pdb or /var/tmp/from_scwrl_553063429.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_553063429_b.pdb or decoys//var/tmp/from_scwrl_553063429_b.pdb.gz for input Trying /var/tmp/from_scwrl_553063429_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_553063429_b.pdb or /var/tmp/from_scwrl_553063429_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_553063429_a.pdb or decoys//var/tmp/from_scwrl_553063429_a.pdb.gz for input Trying /var/tmp/from_scwrl_553063429_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_553063429_a.pdb or /var/tmp/from_scwrl_553063429_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_553063429.pdb or /var/tmp/from_scwrl_553063429_b.pdb or /var/tmp/from_scwrl_553063429_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 94 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_115000182.pdb -s /var/tmp/to_scwrl_115000182.seq -o /var/tmp/from_scwrl_115000182.pdb > /var/tmp/scwrl_115000182.log sh: /var/tmp/scwrl_115000182.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_115000182.pdb or /var/tmp/from_scwrl_115000182.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_115000182_b.pdb or decoys//var/tmp/from_scwrl_115000182_b.pdb.gz for input Trying /var/tmp/from_scwrl_115000182_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_115000182_b.pdb or /var/tmp/from_scwrl_115000182_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_115000182_a.pdb or decoys//var/tmp/from_scwrl_115000182_a.pdb.gz for input Trying /var/tmp/from_scwrl_115000182_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_115000182_a.pdb or /var/tmp/from_scwrl_115000182_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_115000182.pdb or /var/tmp/from_scwrl_115000182_b.pdb or /var/tmp/from_scwrl_115000182_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1152848404.pdb -s /var/tmp/to_scwrl_1152848404.seq -o /var/tmp/from_scwrl_1152848404.pdb > /var/tmp/scwrl_1152848404.log sh: /var/tmp/scwrl_1152848404.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1152848404.pdb or /var/tmp/from_scwrl_1152848404.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1152848404_b.pdb or decoys//var/tmp/from_scwrl_1152848404_b.pdb.gz for input Trying /var/tmp/from_scwrl_1152848404_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1152848404_b.pdb or /var/tmp/from_scwrl_1152848404_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1152848404_a.pdb or decoys//var/tmp/from_scwrl_1152848404_a.pdb.gz for input Trying /var/tmp/from_scwrl_1152848404_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1152848404_a.pdb or /var/tmp/from_scwrl_1152848404_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1152848404.pdb or /var/tmp/from_scwrl_1152848404_b.pdb or /var/tmp/from_scwrl_1152848404_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_119009824.pdb -s /var/tmp/to_scwrl_119009824.seq -o /var/tmp/from_scwrl_119009824.pdb > /var/tmp/scwrl_119009824.log sh: /var/tmp/scwrl_119009824.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_119009824.pdb or /var/tmp/from_scwrl_119009824.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_119009824_b.pdb or decoys//var/tmp/from_scwrl_119009824_b.pdb.gz for input Trying /var/tmp/from_scwrl_119009824_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_119009824_b.pdb or /var/tmp/from_scwrl_119009824_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_119009824_a.pdb or decoys//var/tmp/from_scwrl_119009824_a.pdb.gz for input Trying /var/tmp/from_scwrl_119009824_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_119009824_a.pdb or /var/tmp/from_scwrl_119009824_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_119009824.pdb or /var/tmp/from_scwrl_119009824_b.pdb or /var/tmp/from_scwrl_119009824_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 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1468829887.pdb -s /var/tmp/to_scwrl_1468829887.seq -o /var/tmp/from_scwrl_1468829887.pdb > /var/tmp/scwrl_1468829887.log sh: /var/tmp/scwrl_1468829887.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1468829887.pdb or /var/tmp/from_scwrl_1468829887.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1468829887_b.pdb or decoys//var/tmp/from_scwrl_1468829887_b.pdb.gz for input Trying /var/tmp/from_scwrl_1468829887_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1468829887_b.pdb or /var/tmp/from_scwrl_1468829887_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1468829887_a.pdb or decoys//var/tmp/from_scwrl_1468829887_a.pdb.gz for input Trying /var/tmp/from_scwrl_1468829887_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1468829887_a.pdb or /var/tmp/from_scwrl_1468829887_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1468829887.pdb or /var/tmp/from_scwrl_1468829887_b.pdb or /var/tmp/from_scwrl_1468829887_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 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1852025749.pdb -s /var/tmp/to_scwrl_1852025749.seq -o /var/tmp/from_scwrl_1852025749.pdb > /var/tmp/scwrl_1852025749.log sh: /var/tmp/scwrl_1852025749.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1852025749.pdb or /var/tmp/from_scwrl_1852025749.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1852025749_b.pdb or decoys//var/tmp/from_scwrl_1852025749_b.pdb.gz for input Trying /var/tmp/from_scwrl_1852025749_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1852025749_b.pdb or /var/tmp/from_scwrl_1852025749_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1852025749_a.pdb or decoys//var/tmp/from_scwrl_1852025749_a.pdb.gz for input Trying /var/tmp/from_scwrl_1852025749_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1852025749_a.pdb or /var/tmp/from_scwrl_1852025749_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1852025749.pdb or /var/tmp/from_scwrl_1852025749_b.pdb or /var/tmp/from_scwrl_1852025749_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 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1660880069.pdb -s /var/tmp/to_scwrl_1660880069.seq -o /var/tmp/from_scwrl_1660880069.pdb > /var/tmp/scwrl_1660880069.log sh: /var/tmp/scwrl_1660880069.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1660880069.pdb or /var/tmp/from_scwrl_1660880069.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1660880069_b.pdb or decoys//var/tmp/from_scwrl_1660880069_b.pdb.gz for input Trying /var/tmp/from_scwrl_1660880069_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1660880069_b.pdb or /var/tmp/from_scwrl_1660880069_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1660880069_a.pdb or decoys//var/tmp/from_scwrl_1660880069_a.pdb.gz for input Trying /var/tmp/from_scwrl_1660880069_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1660880069_a.pdb or /var/tmp/from_scwrl_1660880069_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1660880069.pdb or /var/tmp/from_scwrl_1660880069_b.pdb or /var/tmp/from_scwrl_1660880069_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_134190095.pdb -s /var/tmp/to_scwrl_134190095.seq -o /var/tmp/from_scwrl_134190095.pdb > /var/tmp/scwrl_134190095.log sh: /var/tmp/scwrl_134190095.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_134190095.pdb or /var/tmp/from_scwrl_134190095.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_134190095_b.pdb or decoys//var/tmp/from_scwrl_134190095_b.pdb.gz for input Trying /var/tmp/from_scwrl_134190095_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_134190095_b.pdb or /var/tmp/from_scwrl_134190095_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_134190095_a.pdb or decoys//var/tmp/from_scwrl_134190095_a.pdb.gz for input Trying /var/tmp/from_scwrl_134190095_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_134190095_a.pdb or /var/tmp/from_scwrl_134190095_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_134190095.pdb or /var/tmp/from_scwrl_134190095_b.pdb or /var/tmp/from_scwrl_134190095_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1335333235.pdb -s /var/tmp/to_scwrl_1335333235.seq -o /var/tmp/from_scwrl_1335333235.pdb > /var/tmp/scwrl_1335333235.log sh: /var/tmp/scwrl_1335333235.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1335333235.pdb or /var/tmp/from_scwrl_1335333235.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1335333235_b.pdb or decoys//var/tmp/from_scwrl_1335333235_b.pdb.gz for input Trying /var/tmp/from_scwrl_1335333235_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1335333235_b.pdb or /var/tmp/from_scwrl_1335333235_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1335333235_a.pdb or decoys//var/tmp/from_scwrl_1335333235_a.pdb.gz for input Trying /var/tmp/from_scwrl_1335333235_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1335333235_a.pdb or /var/tmp/from_scwrl_1335333235_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1335333235.pdb or /var/tmp/from_scwrl_1335333235_b.pdb or /var/tmp/from_scwrl_1335333235_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1973585282.pdb -s /var/tmp/to_scwrl_1973585282.seq -o /var/tmp/from_scwrl_1973585282.pdb > /var/tmp/scwrl_1973585282.log sh: /var/tmp/scwrl_1973585282.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1973585282.pdb or /var/tmp/from_scwrl_1973585282.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1973585282_b.pdb or decoys//var/tmp/from_scwrl_1973585282_b.pdb.gz for input Trying /var/tmp/from_scwrl_1973585282_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1973585282_b.pdb or /var/tmp/from_scwrl_1973585282_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1973585282_a.pdb or decoys//var/tmp/from_scwrl_1973585282_a.pdb.gz for input Trying /var/tmp/from_scwrl_1973585282_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1973585282_a.pdb or /var/tmp/from_scwrl_1973585282_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1973585282.pdb or /var/tmp/from_scwrl_1973585282_b.pdb or /var/tmp/from_scwrl_1973585282_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2106186221.pdb -s /var/tmp/to_scwrl_2106186221.seq -o /var/tmp/from_scwrl_2106186221.pdb > /var/tmp/scwrl_2106186221.log sh: /var/tmp/scwrl_2106186221.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2106186221.pdb or /var/tmp/from_scwrl_2106186221.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106186221_b.pdb or decoys//var/tmp/from_scwrl_2106186221_b.pdb.gz for input Trying /var/tmp/from_scwrl_2106186221_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106186221_b.pdb or /var/tmp/from_scwrl_2106186221_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106186221_a.pdb or decoys//var/tmp/from_scwrl_2106186221_a.pdb.gz for input Trying /var/tmp/from_scwrl_2106186221_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106186221_a.pdb or /var/tmp/from_scwrl_2106186221_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2106186221.pdb or /var/tmp/from_scwrl_2106186221_b.pdb or /var/tmp/from_scwrl_2106186221_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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 127, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2027548568.pdb -s /var/tmp/to_scwrl_2027548568.seq -o /var/tmp/from_scwrl_2027548568.pdb > /var/tmp/scwrl_2027548568.log sh: /var/tmp/scwrl_2027548568.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2027548568.pdb or /var/tmp/from_scwrl_2027548568.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2027548568_b.pdb or decoys//var/tmp/from_scwrl_2027548568_b.pdb.gz for input Trying /var/tmp/from_scwrl_2027548568_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2027548568_b.pdb or /var/tmp/from_scwrl_2027548568_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2027548568_a.pdb or decoys//var/tmp/from_scwrl_2027548568_a.pdb.gz for input Trying /var/tmp/from_scwrl_2027548568_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2027548568_a.pdb or /var/tmp/from_scwrl_2027548568_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2027548568.pdb or /var/tmp/from_scwrl_2027548568_b.pdb or /var/tmp/from_scwrl_2027548568_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_351913109.pdb -s /var/tmp/to_scwrl_351913109.seq -o /var/tmp/from_scwrl_351913109.pdb > /var/tmp/scwrl_351913109.log sh: /var/tmp/scwrl_351913109.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_351913109.pdb or /var/tmp/from_scwrl_351913109.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_351913109_b.pdb or decoys//var/tmp/from_scwrl_351913109_b.pdb.gz for input Trying /var/tmp/from_scwrl_351913109_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_351913109_b.pdb or /var/tmp/from_scwrl_351913109_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_351913109_a.pdb or decoys//var/tmp/from_scwrl_351913109_a.pdb.gz for input Trying /var/tmp/from_scwrl_351913109_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_351913109_a.pdb or /var/tmp/from_scwrl_351913109_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_351913109.pdb or /var/tmp/from_scwrl_351913109_b.pdb or /var/tmp/from_scwrl_351913109_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1581126760.pdb -s /var/tmp/to_scwrl_1581126760.seq -o /var/tmp/from_scwrl_1581126760.pdb > /var/tmp/scwrl_1581126760.log sh: /var/tmp/scwrl_1581126760.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1581126760.pdb or /var/tmp/from_scwrl_1581126760.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1581126760_b.pdb or decoys//var/tmp/from_scwrl_1581126760_b.pdb.gz for input Trying /var/tmp/from_scwrl_1581126760_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1581126760_b.pdb or /var/tmp/from_scwrl_1581126760_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1581126760_a.pdb or decoys//var/tmp/from_scwrl_1581126760_a.pdb.gz for input Trying /var/tmp/from_scwrl_1581126760_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1581126760_a.pdb or /var/tmp/from_scwrl_1581126760_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1581126760.pdb or /var/tmp/from_scwrl_1581126760_b.pdb or /var/tmp/from_scwrl_1581126760_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 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2139216210.pdb -s /var/tmp/to_scwrl_2139216210.seq -o /var/tmp/from_scwrl_2139216210.pdb > /var/tmp/scwrl_2139216210.log sh: /var/tmp/scwrl_2139216210.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2139216210.pdb or /var/tmp/from_scwrl_2139216210.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2139216210_b.pdb or decoys//var/tmp/from_scwrl_2139216210_b.pdb.gz for input Trying /var/tmp/from_scwrl_2139216210_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2139216210_b.pdb or /var/tmp/from_scwrl_2139216210_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2139216210_a.pdb or decoys//var/tmp/from_scwrl_2139216210_a.pdb.gz for input Trying /var/tmp/from_scwrl_2139216210_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2139216210_a.pdb or /var/tmp/from_scwrl_2139216210_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2139216210.pdb or /var/tmp/from_scwrl_2139216210_b.pdb or /var/tmp/from_scwrl_2139216210_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_396262819.pdb -s /var/tmp/to_scwrl_396262819.seq -o /var/tmp/from_scwrl_396262819.pdb > /var/tmp/scwrl_396262819.log sh: /var/tmp/scwrl_396262819.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_396262819.pdb or /var/tmp/from_scwrl_396262819.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_396262819_b.pdb or decoys//var/tmp/from_scwrl_396262819_b.pdb.gz for input Trying /var/tmp/from_scwrl_396262819_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_396262819_b.pdb or /var/tmp/from_scwrl_396262819_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_396262819_a.pdb or decoys//var/tmp/from_scwrl_396262819_a.pdb.gz for input Trying /var/tmp/from_scwrl_396262819_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_396262819_a.pdb or /var/tmp/from_scwrl_396262819_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_396262819.pdb or /var/tmp/from_scwrl_396262819_b.pdb or /var/tmp/from_scwrl_396262819_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 Skipped atom 43, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 91, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 93, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 95, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 257, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 395, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1906073561.pdb -s /var/tmp/to_scwrl_1906073561.seq -o /var/tmp/from_scwrl_1906073561.pdb > /var/tmp/scwrl_1906073561.log sh: /var/tmp/scwrl_1906073561.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1906073561.pdb or /var/tmp/from_scwrl_1906073561.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1906073561_b.pdb or decoys//var/tmp/from_scwrl_1906073561_b.pdb.gz for input Trying /var/tmp/from_scwrl_1906073561_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1906073561_b.pdb or /var/tmp/from_scwrl_1906073561_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1906073561_a.pdb or decoys//var/tmp/from_scwrl_1906073561_a.pdb.gz for input Trying /var/tmp/from_scwrl_1906073561_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1906073561_a.pdb or /var/tmp/from_scwrl_1906073561_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1906073561.pdb or /var/tmp/from_scwrl_1906073561_b.pdb or /var/tmp/from_scwrl_1906073561_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 142 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1384450436.pdb -s /var/tmp/to_scwrl_1384450436.seq -o /var/tmp/from_scwrl_1384450436.pdb > /var/tmp/scwrl_1384450436.log sh: /var/tmp/scwrl_1384450436.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1384450436.pdb or /var/tmp/from_scwrl_1384450436.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1384450436_b.pdb or decoys//var/tmp/from_scwrl_1384450436_b.pdb.gz for input Trying /var/tmp/from_scwrl_1384450436_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1384450436_b.pdb or /var/tmp/from_scwrl_1384450436_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1384450436_a.pdb or decoys//var/tmp/from_scwrl_1384450436_a.pdb.gz for input Trying /var/tmp/from_scwrl_1384450436_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1384450436_a.pdb or /var/tmp/from_scwrl_1384450436_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1384450436.pdb or /var/tmp/from_scwrl_1384450436_b.pdb or /var/tmp/from_scwrl_1384450436_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_523103654.pdb -s /var/tmp/to_scwrl_523103654.seq -o /var/tmp/from_scwrl_523103654.pdb > /var/tmp/scwrl_523103654.log sh: /var/tmp/scwrl_523103654.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_523103654.pdb or /var/tmp/from_scwrl_523103654.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_523103654_b.pdb or decoys//var/tmp/from_scwrl_523103654_b.pdb.gz for input Trying /var/tmp/from_scwrl_523103654_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_523103654_b.pdb or /var/tmp/from_scwrl_523103654_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_523103654_a.pdb or decoys//var/tmp/from_scwrl_523103654_a.pdb.gz for input Trying /var/tmp/from_scwrl_523103654_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_523103654_a.pdb or /var/tmp/from_scwrl_523103654_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_523103654.pdb or /var/tmp/from_scwrl_523103654_b.pdb or /var/tmp/from_scwrl_523103654_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1316808771.pdb -s /var/tmp/to_scwrl_1316808771.seq -o /var/tmp/from_scwrl_1316808771.pdb > /var/tmp/scwrl_1316808771.log sh: /var/tmp/scwrl_1316808771.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1316808771.pdb or /var/tmp/from_scwrl_1316808771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1316808771_b.pdb or decoys//var/tmp/from_scwrl_1316808771_b.pdb.gz for input Trying /var/tmp/from_scwrl_1316808771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1316808771_b.pdb or /var/tmp/from_scwrl_1316808771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1316808771_a.pdb or decoys//var/tmp/from_scwrl_1316808771_a.pdb.gz for input Trying /var/tmp/from_scwrl_1316808771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1316808771_a.pdb or /var/tmp/from_scwrl_1316808771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1316808771.pdb or /var/tmp/from_scwrl_1316808771_b.pdb or /var/tmp/from_scwrl_1316808771_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_431326452.pdb -s /var/tmp/to_scwrl_431326452.seq -o /var/tmp/from_scwrl_431326452.pdb > /var/tmp/scwrl_431326452.log sh: /var/tmp/scwrl_431326452.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_431326452.pdb or /var/tmp/from_scwrl_431326452.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431326452_b.pdb or decoys//var/tmp/from_scwrl_431326452_b.pdb.gz for input Trying /var/tmp/from_scwrl_431326452_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_431326452_b.pdb or /var/tmp/from_scwrl_431326452_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431326452_a.pdb or decoys//var/tmp/from_scwrl_431326452_a.pdb.gz for input Trying /var/tmp/from_scwrl_431326452_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_431326452_a.pdb or /var/tmp/from_scwrl_431326452_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_431326452.pdb or /var/tmp/from_scwrl_431326452_b.pdb or /var/tmp/from_scwrl_431326452_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 T0322 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1752466529.pdb -s /var/tmp/to_scwrl_1752466529.seq -o /var/tmp/from_scwrl_1752466529.pdb > /var/tmp/scwrl_1752466529.log sh: /var/tmp/scwrl_1752466529.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1752466529.pdb or /var/tmp/from_scwrl_1752466529.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752466529_b.pdb or decoys//var/tmp/from_scwrl_1752466529_b.pdb.gz for input Trying /var/tmp/from_scwrl_1752466529_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752466529_b.pdb or /var/tmp/from_scwrl_1752466529_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752466529_a.pdb or decoys//var/tmp/from_scwrl_1752466529_a.pdb.gz for input Trying /var/tmp/from_scwrl_1752466529_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752466529_a.pdb or /var/tmp/from_scwrl_1752466529_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1752466529.pdb or /var/tmp/from_scwrl_1752466529_b.pdb or /var/tmp/from_scwrl_1752466529_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1595486764.pdb -s /var/tmp/to_scwrl_1595486764.seq -o /var/tmp/from_scwrl_1595486764.pdb > /var/tmp/scwrl_1595486764.log sh: /var/tmp/scwrl_1595486764.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1595486764.pdb or /var/tmp/from_scwrl_1595486764.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595486764_b.pdb or decoys//var/tmp/from_scwrl_1595486764_b.pdb.gz for input Trying /var/tmp/from_scwrl_1595486764_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595486764_b.pdb or /var/tmp/from_scwrl_1595486764_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595486764_a.pdb or decoys//var/tmp/from_scwrl_1595486764_a.pdb.gz for input Trying /var/tmp/from_scwrl_1595486764_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595486764_a.pdb or /var/tmp/from_scwrl_1595486764_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1595486764.pdb or /var/tmp/from_scwrl_1595486764_b.pdb or /var/tmp/from_scwrl_1595486764_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_985845060.pdb -s /var/tmp/to_scwrl_985845060.seq -o /var/tmp/from_scwrl_985845060.pdb > /var/tmp/scwrl_985845060.log sh: /var/tmp/scwrl_985845060.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_985845060.pdb or /var/tmp/from_scwrl_985845060.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_985845060_b.pdb or decoys//var/tmp/from_scwrl_985845060_b.pdb.gz for input Trying /var/tmp/from_scwrl_985845060_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_985845060_b.pdb or /var/tmp/from_scwrl_985845060_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_985845060_a.pdb or decoys//var/tmp/from_scwrl_985845060_a.pdb.gz for input Trying /var/tmp/from_scwrl_985845060_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_985845060_a.pdb or /var/tmp/from_scwrl_985845060_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_985845060.pdb or /var/tmp/from_scwrl_985845060_b.pdb or /var/tmp/from_scwrl_985845060_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 76 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1065346970.pdb -s /var/tmp/to_scwrl_1065346970.seq -o /var/tmp/from_scwrl_1065346970.pdb > /var/tmp/scwrl_1065346970.log sh: /var/tmp/scwrl_1065346970.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1065346970.pdb or /var/tmp/from_scwrl_1065346970.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1065346970_b.pdb or decoys//var/tmp/from_scwrl_1065346970_b.pdb.gz for input Trying /var/tmp/from_scwrl_1065346970_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1065346970_b.pdb or /var/tmp/from_scwrl_1065346970_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1065346970_a.pdb or decoys//var/tmp/from_scwrl_1065346970_a.pdb.gz for input Trying /var/tmp/from_scwrl_1065346970_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1065346970_a.pdb or /var/tmp/from_scwrl_1065346970_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1065346970.pdb or /var/tmp/from_scwrl_1065346970_b.pdb or /var/tmp/from_scwrl_1065346970_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 71 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1720619109.pdb -s /var/tmp/to_scwrl_1720619109.seq -o /var/tmp/from_scwrl_1720619109.pdb > /var/tmp/scwrl_1720619109.log sh: /var/tmp/scwrl_1720619109.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1720619109.pdb or /var/tmp/from_scwrl_1720619109.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1720619109_b.pdb or decoys//var/tmp/from_scwrl_1720619109_b.pdb.gz for input Trying /var/tmp/from_scwrl_1720619109_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1720619109_b.pdb or /var/tmp/from_scwrl_1720619109_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1720619109_a.pdb or decoys//var/tmp/from_scwrl_1720619109_a.pdb.gz for input Trying /var/tmp/from_scwrl_1720619109_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1720619109_a.pdb or /var/tmp/from_scwrl_1720619109_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1720619109.pdb or /var/tmp/from_scwrl_1720619109_b.pdb or /var/tmp/from_scwrl_1720619109_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 108 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_960922668.pdb -s /var/tmp/to_scwrl_960922668.seq -o /var/tmp/from_scwrl_960922668.pdb > /var/tmp/scwrl_960922668.log sh: /var/tmp/scwrl_960922668.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_960922668.pdb or /var/tmp/from_scwrl_960922668.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_960922668_b.pdb or decoys//var/tmp/from_scwrl_960922668_b.pdb.gz for input Trying /var/tmp/from_scwrl_960922668_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_960922668_b.pdb or /var/tmp/from_scwrl_960922668_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_960922668_a.pdb or decoys//var/tmp/from_scwrl_960922668_a.pdb.gz for input Trying /var/tmp/from_scwrl_960922668_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_960922668_a.pdb or /var/tmp/from_scwrl_960922668_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_960922668.pdb or /var/tmp/from_scwrl_960922668_b.pdb or /var/tmp/from_scwrl_960922668_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 82 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_325139068.pdb -s /var/tmp/to_scwrl_325139068.seq -o /var/tmp/from_scwrl_325139068.pdb > /var/tmp/scwrl_325139068.log sh: /var/tmp/scwrl_325139068.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_325139068.pdb or /var/tmp/from_scwrl_325139068.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_325139068_b.pdb or decoys//var/tmp/from_scwrl_325139068_b.pdb.gz for input Trying /var/tmp/from_scwrl_325139068_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_325139068_b.pdb or /var/tmp/from_scwrl_325139068_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_325139068_a.pdb or decoys//var/tmp/from_scwrl_325139068_a.pdb.gz for input Trying /var/tmp/from_scwrl_325139068_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_325139068_a.pdb or /var/tmp/from_scwrl_325139068_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_325139068.pdb or /var/tmp/from_scwrl_325139068_b.pdb or /var/tmp/from_scwrl_325139068_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_489955409.pdb -s /var/tmp/to_scwrl_489955409.seq -o /var/tmp/from_scwrl_489955409.pdb > /var/tmp/scwrl_489955409.log sh: /var/tmp/scwrl_489955409.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_489955409.pdb or /var/tmp/from_scwrl_489955409.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_489955409_b.pdb or decoys//var/tmp/from_scwrl_489955409_b.pdb.gz for input Trying /var/tmp/from_scwrl_489955409_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_489955409_b.pdb or /var/tmp/from_scwrl_489955409_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_489955409_a.pdb or decoys//var/tmp/from_scwrl_489955409_a.pdb.gz for input Trying /var/tmp/from_scwrl_489955409_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_489955409_a.pdb or /var/tmp/from_scwrl_489955409_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_489955409.pdb or /var/tmp/from_scwrl_489955409_b.pdb or /var/tmp/from_scwrl_489955409_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_348931754.pdb -s /var/tmp/to_scwrl_348931754.seq -o /var/tmp/from_scwrl_348931754.pdb > /var/tmp/scwrl_348931754.log sh: /var/tmp/scwrl_348931754.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_348931754.pdb or /var/tmp/from_scwrl_348931754.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_348931754_b.pdb or decoys//var/tmp/from_scwrl_348931754_b.pdb.gz for input Trying /var/tmp/from_scwrl_348931754_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_348931754_b.pdb or /var/tmp/from_scwrl_348931754_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_348931754_a.pdb or decoys//var/tmp/from_scwrl_348931754_a.pdb.gz for input Trying /var/tmp/from_scwrl_348931754_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_348931754_a.pdb or /var/tmp/from_scwrl_348931754_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_348931754.pdb or /var/tmp/from_scwrl_348931754_b.pdb or /var/tmp/from_scwrl_348931754_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_518959872.pdb -s /var/tmp/to_scwrl_518959872.seq -o /var/tmp/from_scwrl_518959872.pdb > /var/tmp/scwrl_518959872.log sh: /var/tmp/scwrl_518959872.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_518959872.pdb or /var/tmp/from_scwrl_518959872.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_518959872_b.pdb or decoys//var/tmp/from_scwrl_518959872_b.pdb.gz for input Trying /var/tmp/from_scwrl_518959872_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_518959872_b.pdb or /var/tmp/from_scwrl_518959872_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_518959872_a.pdb or decoys//var/tmp/from_scwrl_518959872_a.pdb.gz for input Trying /var/tmp/from_scwrl_518959872_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_518959872_a.pdb or /var/tmp/from_scwrl_518959872_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_518959872.pdb or /var/tmp/from_scwrl_518959872_b.pdb or /var/tmp/from_scwrl_518959872_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1043018838.pdb -s /var/tmp/to_scwrl_1043018838.seq -o /var/tmp/from_scwrl_1043018838.pdb > /var/tmp/scwrl_1043018838.log sh: /var/tmp/scwrl_1043018838.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1043018838.pdb or /var/tmp/from_scwrl_1043018838.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1043018838_b.pdb or decoys//var/tmp/from_scwrl_1043018838_b.pdb.gz for input Trying /var/tmp/from_scwrl_1043018838_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1043018838_b.pdb or /var/tmp/from_scwrl_1043018838_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1043018838_a.pdb or decoys//var/tmp/from_scwrl_1043018838_a.pdb.gz for input Trying /var/tmp/from_scwrl_1043018838_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1043018838_a.pdb or /var/tmp/from_scwrl_1043018838_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1043018838.pdb or /var/tmp/from_scwrl_1043018838_b.pdb or /var/tmp/from_scwrl_1043018838_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_463931936.pdb -s /var/tmp/to_scwrl_463931936.seq -o /var/tmp/from_scwrl_463931936.pdb > /var/tmp/scwrl_463931936.log sh: /var/tmp/scwrl_463931936.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_463931936.pdb or /var/tmp/from_scwrl_463931936.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_463931936_b.pdb or decoys//var/tmp/from_scwrl_463931936_b.pdb.gz for input Trying /var/tmp/from_scwrl_463931936_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_463931936_b.pdb or /var/tmp/from_scwrl_463931936_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_463931936_a.pdb or decoys//var/tmp/from_scwrl_463931936_a.pdb.gz for input Trying /var/tmp/from_scwrl_463931936_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_463931936_a.pdb or /var/tmp/from_scwrl_463931936_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_463931936.pdb or /var/tmp/from_scwrl_463931936_b.pdb or /var/tmp/from_scwrl_463931936_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 71 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1671808276.pdb -s /var/tmp/to_scwrl_1671808276.seq -o /var/tmp/from_scwrl_1671808276.pdb > /var/tmp/scwrl_1671808276.log sh: /var/tmp/scwrl_1671808276.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1671808276.pdb or /var/tmp/from_scwrl_1671808276.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1671808276_b.pdb or decoys//var/tmp/from_scwrl_1671808276_b.pdb.gz for input Trying /var/tmp/from_scwrl_1671808276_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1671808276_b.pdb or /var/tmp/from_scwrl_1671808276_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1671808276_a.pdb or decoys//var/tmp/from_scwrl_1671808276_a.pdb.gz for input Trying /var/tmp/from_scwrl_1671808276_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1671808276_a.pdb or /var/tmp/from_scwrl_1671808276_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1671808276.pdb or /var/tmp/from_scwrl_1671808276_b.pdb or /var/tmp/from_scwrl_1671808276_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 72 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1162028662.pdb -s /var/tmp/to_scwrl_1162028662.seq -o /var/tmp/from_scwrl_1162028662.pdb > /var/tmp/scwrl_1162028662.log sh: /var/tmp/scwrl_1162028662.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1162028662.pdb or /var/tmp/from_scwrl_1162028662.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1162028662_b.pdb or decoys//var/tmp/from_scwrl_1162028662_b.pdb.gz for input Trying /var/tmp/from_scwrl_1162028662_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1162028662_b.pdb or /var/tmp/from_scwrl_1162028662_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1162028662_a.pdb or decoys//var/tmp/from_scwrl_1162028662_a.pdb.gz for input Trying /var/tmp/from_scwrl_1162028662_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1162028662_a.pdb or /var/tmp/from_scwrl_1162028662_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1162028662.pdb or /var/tmp/from_scwrl_1162028662_b.pdb or /var/tmp/from_scwrl_1162028662_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 137 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1932761823.pdb -s /var/tmp/to_scwrl_1932761823.seq -o /var/tmp/from_scwrl_1932761823.pdb > /var/tmp/scwrl_1932761823.log sh: /var/tmp/scwrl_1932761823.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1932761823.pdb or /var/tmp/from_scwrl_1932761823.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1932761823_b.pdb or decoys//var/tmp/from_scwrl_1932761823_b.pdb.gz for input Trying /var/tmp/from_scwrl_1932761823_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1932761823_b.pdb or /var/tmp/from_scwrl_1932761823_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1932761823_a.pdb or decoys//var/tmp/from_scwrl_1932761823_a.pdb.gz for input Trying /var/tmp/from_scwrl_1932761823_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1932761823_a.pdb or /var/tmp/from_scwrl_1932761823_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1932761823.pdb or /var/tmp/from_scwrl_1932761823_b.pdb or /var/tmp/from_scwrl_1932761823_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 46 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1376350378.pdb -s /var/tmp/to_scwrl_1376350378.seq -o /var/tmp/from_scwrl_1376350378.pdb > /var/tmp/scwrl_1376350378.log sh: /var/tmp/scwrl_1376350378.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1376350378.pdb or /var/tmp/from_scwrl_1376350378.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1376350378_b.pdb or decoys//var/tmp/from_scwrl_1376350378_b.pdb.gz for input Trying /var/tmp/from_scwrl_1376350378_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1376350378_b.pdb or /var/tmp/from_scwrl_1376350378_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1376350378_a.pdb or decoys//var/tmp/from_scwrl_1376350378_a.pdb.gz for input Trying /var/tmp/from_scwrl_1376350378_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1376350378_a.pdb or /var/tmp/from_scwrl_1376350378_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1376350378.pdb or /var/tmp/from_scwrl_1376350378_b.pdb or /var/tmp/from_scwrl_1376350378_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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_675425085.pdb -s /var/tmp/to_scwrl_675425085.seq -o /var/tmp/from_scwrl_675425085.pdb > /var/tmp/scwrl_675425085.log sh: /var/tmp/scwrl_675425085.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_675425085.pdb or /var/tmp/from_scwrl_675425085.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_675425085_b.pdb or decoys//var/tmp/from_scwrl_675425085_b.pdb.gz for input Trying /var/tmp/from_scwrl_675425085_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_675425085_b.pdb or /var/tmp/from_scwrl_675425085_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_675425085_a.pdb or decoys//var/tmp/from_scwrl_675425085_a.pdb.gz for input Trying /var/tmp/from_scwrl_675425085_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_675425085_a.pdb or /var/tmp/from_scwrl_675425085_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_675425085.pdb or /var/tmp/from_scwrl_675425085_b.pdb or /var/tmp/from_scwrl_675425085_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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2066951918.pdb -s /var/tmp/to_scwrl_2066951918.seq -o /var/tmp/from_scwrl_2066951918.pdb > /var/tmp/scwrl_2066951918.log sh: /var/tmp/scwrl_2066951918.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2066951918.pdb or /var/tmp/from_scwrl_2066951918.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2066951918_b.pdb or decoys//var/tmp/from_scwrl_2066951918_b.pdb.gz for input Trying /var/tmp/from_scwrl_2066951918_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2066951918_b.pdb or /var/tmp/from_scwrl_2066951918_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2066951918_a.pdb or decoys//var/tmp/from_scwrl_2066951918_a.pdb.gz for input Trying /var/tmp/from_scwrl_2066951918_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2066951918_a.pdb or /var/tmp/from_scwrl_2066951918_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2066951918.pdb or /var/tmp/from_scwrl_2066951918_b.pdb or /var/tmp/from_scwrl_2066951918_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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_564199968.pdb -s /var/tmp/to_scwrl_564199968.seq -o /var/tmp/from_scwrl_564199968.pdb > /var/tmp/scwrl_564199968.log sh: /var/tmp/scwrl_564199968.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_564199968.pdb or /var/tmp/from_scwrl_564199968.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_564199968_b.pdb or decoys//var/tmp/from_scwrl_564199968_b.pdb.gz for input Trying /var/tmp/from_scwrl_564199968_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_564199968_b.pdb or /var/tmp/from_scwrl_564199968_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_564199968_a.pdb or decoys//var/tmp/from_scwrl_564199968_a.pdb.gz for input Trying /var/tmp/from_scwrl_564199968_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_564199968_a.pdb or /var/tmp/from_scwrl_564199968_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_564199968.pdb or /var/tmp/from_scwrl_564199968_b.pdb or /var/tmp/from_scwrl_564199968_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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_501526720.pdb -s /var/tmp/to_scwrl_501526720.seq -o /var/tmp/from_scwrl_501526720.pdb > /var/tmp/scwrl_501526720.log sh: /var/tmp/scwrl_501526720.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_501526720.pdb or /var/tmp/from_scwrl_501526720.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_501526720_b.pdb or decoys//var/tmp/from_scwrl_501526720_b.pdb.gz for input Trying /var/tmp/from_scwrl_501526720_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_501526720_b.pdb or /var/tmp/from_scwrl_501526720_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_501526720_a.pdb or decoys//var/tmp/from_scwrl_501526720_a.pdb.gz for input Trying /var/tmp/from_scwrl_501526720_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_501526720_a.pdb or /var/tmp/from_scwrl_501526720_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_501526720.pdb or /var/tmp/from_scwrl_501526720_b.pdb or /var/tmp/from_scwrl_501526720_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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2025654493.pdb -s /var/tmp/to_scwrl_2025654493.seq -o /var/tmp/from_scwrl_2025654493.pdb > /var/tmp/scwrl_2025654493.log sh: /var/tmp/scwrl_2025654493.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2025654493.pdb or /var/tmp/from_scwrl_2025654493.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2025654493_b.pdb or decoys//var/tmp/from_scwrl_2025654493_b.pdb.gz for input Trying /var/tmp/from_scwrl_2025654493_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2025654493_b.pdb or /var/tmp/from_scwrl_2025654493_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2025654493_a.pdb or decoys//var/tmp/from_scwrl_2025654493_a.pdb.gz for input Trying /var/tmp/from_scwrl_2025654493_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2025654493_a.pdb or /var/tmp/from_scwrl_2025654493_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2025654493.pdb or /var/tmp/from_scwrl_2025654493_b.pdb or /var/tmp/from_scwrl_2025654493_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: (T0322)D7.CA and (T0322)E15.CA only 0.000 apart, marking (T0322)E15.CA as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_444264889.pdb -s /var/tmp/to_scwrl_444264889.seq -o /var/tmp/from_scwrl_444264889.pdb > /var/tmp/scwrl_444264889.log sh: /var/tmp/scwrl_444264889.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_444264889.pdb or /var/tmp/from_scwrl_444264889.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444264889_b.pdb or decoys//var/tmp/from_scwrl_444264889_b.pdb.gz for input Trying /var/tmp/from_scwrl_444264889_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_444264889_b.pdb or /var/tmp/from_scwrl_444264889_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444264889_a.pdb or decoys//var/tmp/from_scwrl_444264889_a.pdb.gz for input Trying /var/tmp/from_scwrl_444264889_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_444264889_a.pdb or /var/tmp/from_scwrl_444264889_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_444264889.pdb or /var/tmp/from_scwrl_444264889_b.pdb or /var/tmp/from_scwrl_444264889_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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_853439830.pdb -s /var/tmp/to_scwrl_853439830.seq -o /var/tmp/from_scwrl_853439830.pdb > /var/tmp/scwrl_853439830.log sh: /var/tmp/scwrl_853439830.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_853439830.pdb or /var/tmp/from_scwrl_853439830.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_853439830_b.pdb or decoys//var/tmp/from_scwrl_853439830_b.pdb.gz for input Trying /var/tmp/from_scwrl_853439830_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_853439830_b.pdb or /var/tmp/from_scwrl_853439830_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_853439830_a.pdb or decoys//var/tmp/from_scwrl_853439830_a.pdb.gz for input Trying /var/tmp/from_scwrl_853439830_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_853439830_a.pdb or /var/tmp/from_scwrl_853439830_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_853439830.pdb or /var/tmp/from_scwrl_853439830_b.pdb or /var/tmp/from_scwrl_853439830_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 T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1459297606.pdb -s /var/tmp/to_scwrl_1459297606.seq -o /var/tmp/from_scwrl_1459297606.pdb > /var/tmp/scwrl_1459297606.log sh: /var/tmp/scwrl_1459297606.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1459297606.pdb or /var/tmp/from_scwrl_1459297606.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1459297606_b.pdb or decoys//var/tmp/from_scwrl_1459297606_b.pdb.gz for input Trying /var/tmp/from_scwrl_1459297606_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1459297606_b.pdb or /var/tmp/from_scwrl_1459297606_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1459297606_a.pdb or decoys//var/tmp/from_scwrl_1459297606_a.pdb.gz for input Trying /var/tmp/from_scwrl_1459297606_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1459297606_a.pdb or /var/tmp/from_scwrl_1459297606_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1459297606.pdb or /var/tmp/from_scwrl_1459297606_b.pdb or /var/tmp/from_scwrl_1459297606_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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 127, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_435997452.pdb -s /var/tmp/to_scwrl_435997452.seq -o /var/tmp/from_scwrl_435997452.pdb > /var/tmp/scwrl_435997452.log sh: /var/tmp/scwrl_435997452.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_435997452.pdb or /var/tmp/from_scwrl_435997452.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_435997452_b.pdb or decoys//var/tmp/from_scwrl_435997452_b.pdb.gz for input Trying /var/tmp/from_scwrl_435997452_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_435997452_b.pdb or /var/tmp/from_scwrl_435997452_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_435997452_a.pdb or decoys//var/tmp/from_scwrl_435997452_a.pdb.gz for input Trying /var/tmp/from_scwrl_435997452_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_435997452_a.pdb or /var/tmp/from_scwrl_435997452_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_435997452.pdb or /var/tmp/from_scwrl_435997452_b.pdb or /var/tmp/from_scwrl_435997452_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1249702648.pdb -s /var/tmp/to_scwrl_1249702648.seq -o /var/tmp/from_scwrl_1249702648.pdb > /var/tmp/scwrl_1249702648.log sh: /var/tmp/scwrl_1249702648.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1249702648.pdb or /var/tmp/from_scwrl_1249702648.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1249702648_b.pdb or decoys//var/tmp/from_scwrl_1249702648_b.pdb.gz for input Trying /var/tmp/from_scwrl_1249702648_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1249702648_b.pdb or /var/tmp/from_scwrl_1249702648_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1249702648_a.pdb or decoys//var/tmp/from_scwrl_1249702648_a.pdb.gz for input Trying /var/tmp/from_scwrl_1249702648_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1249702648_a.pdb or /var/tmp/from_scwrl_1249702648_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1249702648.pdb or /var/tmp/from_scwrl_1249702648_b.pdb or /var/tmp/from_scwrl_1249702648_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1217887520.pdb -s /var/tmp/to_scwrl_1217887520.seq -o /var/tmp/from_scwrl_1217887520.pdb > /var/tmp/scwrl_1217887520.log sh: /var/tmp/scwrl_1217887520.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1217887520.pdb or /var/tmp/from_scwrl_1217887520.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1217887520_b.pdb or decoys//var/tmp/from_scwrl_1217887520_b.pdb.gz for input Trying /var/tmp/from_scwrl_1217887520_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1217887520_b.pdb or /var/tmp/from_scwrl_1217887520_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1217887520_a.pdb or decoys//var/tmp/from_scwrl_1217887520_a.pdb.gz for input Trying /var/tmp/from_scwrl_1217887520_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1217887520_a.pdb or /var/tmp/from_scwrl_1217887520_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1217887520.pdb or /var/tmp/from_scwrl_1217887520_b.pdb or /var/tmp/from_scwrl_1217887520_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 153 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1820447889.pdb -s /var/tmp/to_scwrl_1820447889.seq -o /var/tmp/from_scwrl_1820447889.pdb > /var/tmp/scwrl_1820447889.log sh: /var/tmp/scwrl_1820447889.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1820447889.pdb or /var/tmp/from_scwrl_1820447889.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1820447889_b.pdb or decoys//var/tmp/from_scwrl_1820447889_b.pdb.gz for input Trying /var/tmp/from_scwrl_1820447889_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1820447889_b.pdb or /var/tmp/from_scwrl_1820447889_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1820447889_a.pdb or decoys//var/tmp/from_scwrl_1820447889_a.pdb.gz for input Trying /var/tmp/from_scwrl_1820447889_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1820447889_a.pdb or /var/tmp/from_scwrl_1820447889_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1820447889.pdb or /var/tmp/from_scwrl_1820447889_b.pdb or /var/tmp/from_scwrl_1820447889_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 84 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1772806302.pdb -s /var/tmp/to_scwrl_1772806302.seq -o /var/tmp/from_scwrl_1772806302.pdb > /var/tmp/scwrl_1772806302.log sh: /var/tmp/scwrl_1772806302.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1772806302.pdb or /var/tmp/from_scwrl_1772806302.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1772806302_b.pdb or decoys//var/tmp/from_scwrl_1772806302_b.pdb.gz for input Trying /var/tmp/from_scwrl_1772806302_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1772806302_b.pdb or /var/tmp/from_scwrl_1772806302_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1772806302_a.pdb or decoys//var/tmp/from_scwrl_1772806302_a.pdb.gz for input Trying /var/tmp/from_scwrl_1772806302_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1772806302_a.pdb or /var/tmp/from_scwrl_1772806302_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1772806302.pdb or /var/tmp/from_scwrl_1772806302_b.pdb or /var/tmp/from_scwrl_1772806302_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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_387212645.pdb -s /var/tmp/to_scwrl_387212645.seq -o /var/tmp/from_scwrl_387212645.pdb > /var/tmp/scwrl_387212645.log sh: /var/tmp/scwrl_387212645.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_387212645.pdb or /var/tmp/from_scwrl_387212645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_387212645_b.pdb or decoys//var/tmp/from_scwrl_387212645_b.pdb.gz for input Trying /var/tmp/from_scwrl_387212645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_387212645_b.pdb or /var/tmp/from_scwrl_387212645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_387212645_a.pdb or decoys//var/tmp/from_scwrl_387212645_a.pdb.gz for input Trying /var/tmp/from_scwrl_387212645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_387212645_a.pdb or /var/tmp/from_scwrl_387212645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_387212645.pdb or /var/tmp/from_scwrl_387212645_b.pdb or /var/tmp/from_scwrl_387212645_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 29 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_104290694.pdb -s /var/tmp/to_scwrl_104290694.seq -o /var/tmp/from_scwrl_104290694.pdb > /var/tmp/scwrl_104290694.log sh: /var/tmp/scwrl_104290694.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_104290694.pdb or /var/tmp/from_scwrl_104290694.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_104290694_b.pdb or decoys//var/tmp/from_scwrl_104290694_b.pdb.gz for input Trying /var/tmp/from_scwrl_104290694_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_104290694_b.pdb or /var/tmp/from_scwrl_104290694_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_104290694_a.pdb or decoys//var/tmp/from_scwrl_104290694_a.pdb.gz for input Trying /var/tmp/from_scwrl_104290694_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_104290694_a.pdb or /var/tmp/from_scwrl_104290694_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_104290694.pdb or /var/tmp/from_scwrl_104290694_b.pdb or /var/tmp/from_scwrl_104290694_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1377789184.pdb -s /var/tmp/to_scwrl_1377789184.seq -o /var/tmp/from_scwrl_1377789184.pdb > /var/tmp/scwrl_1377789184.log sh: /var/tmp/scwrl_1377789184.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1377789184.pdb or /var/tmp/from_scwrl_1377789184.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1377789184_b.pdb or decoys//var/tmp/from_scwrl_1377789184_b.pdb.gz for input Trying /var/tmp/from_scwrl_1377789184_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1377789184_b.pdb or /var/tmp/from_scwrl_1377789184_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1377789184_a.pdb or decoys//var/tmp/from_scwrl_1377789184_a.pdb.gz for input Trying /var/tmp/from_scwrl_1377789184_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1377789184_a.pdb or /var/tmp/from_scwrl_1377789184_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1377789184.pdb or /var/tmp/from_scwrl_1377789184_b.pdb or /var/tmp/from_scwrl_1377789184_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 T0322 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1982699409.pdb -s /var/tmp/to_scwrl_1982699409.seq -o /var/tmp/from_scwrl_1982699409.pdb > /var/tmp/scwrl_1982699409.log sh: /var/tmp/scwrl_1982699409.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1982699409.pdb or /var/tmp/from_scwrl_1982699409.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1982699409_b.pdb or decoys//var/tmp/from_scwrl_1982699409_b.pdb.gz for input Trying /var/tmp/from_scwrl_1982699409_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1982699409_b.pdb or /var/tmp/from_scwrl_1982699409_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1982699409_a.pdb or decoys//var/tmp/from_scwrl_1982699409_a.pdb.gz for input Trying /var/tmp/from_scwrl_1982699409_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1982699409_a.pdb or /var/tmp/from_scwrl_1982699409_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1982699409.pdb or /var/tmp/from_scwrl_1982699409_b.pdb or /var/tmp/from_scwrl_1982699409_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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1090135753.pdb -s /var/tmp/to_scwrl_1090135753.seq -o /var/tmp/from_scwrl_1090135753.pdb > /var/tmp/scwrl_1090135753.log sh: /var/tmp/scwrl_1090135753.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1090135753.pdb or /var/tmp/from_scwrl_1090135753.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1090135753_b.pdb or decoys//var/tmp/from_scwrl_1090135753_b.pdb.gz for input Trying /var/tmp/from_scwrl_1090135753_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1090135753_b.pdb or /var/tmp/from_scwrl_1090135753_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1090135753_a.pdb or decoys//var/tmp/from_scwrl_1090135753_a.pdb.gz for input Trying /var/tmp/from_scwrl_1090135753_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1090135753_a.pdb or /var/tmp/from_scwrl_1090135753_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1090135753.pdb or /var/tmp/from_scwrl_1090135753_b.pdb or /var/tmp/from_scwrl_1090135753_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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_295652507.pdb -s /var/tmp/to_scwrl_295652507.seq -o /var/tmp/from_scwrl_295652507.pdb > /var/tmp/scwrl_295652507.log sh: /var/tmp/scwrl_295652507.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_295652507.pdb or /var/tmp/from_scwrl_295652507.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_295652507_b.pdb or decoys//var/tmp/from_scwrl_295652507_b.pdb.gz for input Trying /var/tmp/from_scwrl_295652507_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_295652507_b.pdb or /var/tmp/from_scwrl_295652507_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_295652507_a.pdb or decoys//var/tmp/from_scwrl_295652507_a.pdb.gz for input Trying /var/tmp/from_scwrl_295652507_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_295652507_a.pdb or /var/tmp/from_scwrl_295652507_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_295652507.pdb or /var/tmp/from_scwrl_295652507_b.pdb or /var/tmp/from_scwrl_295652507_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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1555834871.pdb -s /var/tmp/to_scwrl_1555834871.seq -o /var/tmp/from_scwrl_1555834871.pdb > /var/tmp/scwrl_1555834871.log sh: /var/tmp/scwrl_1555834871.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1555834871.pdb or /var/tmp/from_scwrl_1555834871.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1555834871_b.pdb or decoys//var/tmp/from_scwrl_1555834871_b.pdb.gz for input Trying /var/tmp/from_scwrl_1555834871_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1555834871_b.pdb or /var/tmp/from_scwrl_1555834871_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1555834871_a.pdb or decoys//var/tmp/from_scwrl_1555834871_a.pdb.gz for input Trying /var/tmp/from_scwrl_1555834871_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1555834871_a.pdb or /var/tmp/from_scwrl_1555834871_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1555834871.pdb or /var/tmp/from_scwrl_1555834871_b.pdb or /var/tmp/from_scwrl_1555834871_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 T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2051058421.pdb -s /var/tmp/to_scwrl_2051058421.seq -o /var/tmp/from_scwrl_2051058421.pdb > /var/tmp/scwrl_2051058421.log sh: /var/tmp/scwrl_2051058421.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2051058421.pdb or /var/tmp/from_scwrl_2051058421.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2051058421_b.pdb or decoys//var/tmp/from_scwrl_2051058421_b.pdb.gz for input Trying /var/tmp/from_scwrl_2051058421_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2051058421_b.pdb or /var/tmp/from_scwrl_2051058421_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2051058421_a.pdb or decoys//var/tmp/from_scwrl_2051058421_a.pdb.gz for input Trying /var/tmp/from_scwrl_2051058421_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2051058421_a.pdb or /var/tmp/from_scwrl_2051058421_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2051058421.pdb or /var/tmp/from_scwrl_2051058421_b.pdb or /var/tmp/from_scwrl_2051058421_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_620791575.pdb -s /var/tmp/to_scwrl_620791575.seq -o /var/tmp/from_scwrl_620791575.pdb > /var/tmp/scwrl_620791575.log sh: /var/tmp/scwrl_620791575.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_620791575.pdb or /var/tmp/from_scwrl_620791575.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_620791575_b.pdb or decoys//var/tmp/from_scwrl_620791575_b.pdb.gz for input Trying /var/tmp/from_scwrl_620791575_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_620791575_b.pdb or /var/tmp/from_scwrl_620791575_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_620791575_a.pdb or decoys//var/tmp/from_scwrl_620791575_a.pdb.gz for input Trying /var/tmp/from_scwrl_620791575_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_620791575_a.pdb or /var/tmp/from_scwrl_620791575_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_620791575.pdb or /var/tmp/from_scwrl_620791575_b.pdb or /var/tmp/from_scwrl_620791575_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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2045790280.pdb -s /var/tmp/to_scwrl_2045790280.seq -o /var/tmp/from_scwrl_2045790280.pdb > /var/tmp/scwrl_2045790280.log sh: /var/tmp/scwrl_2045790280.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2045790280.pdb or /var/tmp/from_scwrl_2045790280.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2045790280_b.pdb or decoys//var/tmp/from_scwrl_2045790280_b.pdb.gz for input Trying /var/tmp/from_scwrl_2045790280_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2045790280_b.pdb or /var/tmp/from_scwrl_2045790280_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2045790280_a.pdb or decoys//var/tmp/from_scwrl_2045790280_a.pdb.gz for input Trying /var/tmp/from_scwrl_2045790280_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2045790280_a.pdb or /var/tmp/from_scwrl_2045790280_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2045790280.pdb or /var/tmp/from_scwrl_2045790280_b.pdb or /var/tmp/from_scwrl_2045790280_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 T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_252506528.pdb -s /var/tmp/to_scwrl_252506528.seq -o /var/tmp/from_scwrl_252506528.pdb > /var/tmp/scwrl_252506528.log sh: /var/tmp/scwrl_252506528.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_252506528.pdb or /var/tmp/from_scwrl_252506528.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_252506528_b.pdb or decoys//var/tmp/from_scwrl_252506528_b.pdb.gz for input Trying /var/tmp/from_scwrl_252506528_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_252506528_b.pdb or /var/tmp/from_scwrl_252506528_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_252506528_a.pdb or decoys//var/tmp/from_scwrl_252506528_a.pdb.gz for input Trying /var/tmp/from_scwrl_252506528_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_252506528_a.pdb or /var/tmp/from_scwrl_252506528_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_252506528.pdb or /var/tmp/from_scwrl_252506528_b.pdb or /var/tmp/from_scwrl_252506528_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1139751447.pdb -s /var/tmp/to_scwrl_1139751447.seq -o /var/tmp/from_scwrl_1139751447.pdb > /var/tmp/scwrl_1139751447.log sh: /var/tmp/scwrl_1139751447.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1139751447.pdb or /var/tmp/from_scwrl_1139751447.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1139751447_b.pdb or decoys//var/tmp/from_scwrl_1139751447_b.pdb.gz for input Trying /var/tmp/from_scwrl_1139751447_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1139751447_b.pdb or /var/tmp/from_scwrl_1139751447_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1139751447_a.pdb or decoys//var/tmp/from_scwrl_1139751447_a.pdb.gz for input Trying /var/tmp/from_scwrl_1139751447_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1139751447_a.pdb or /var/tmp/from_scwrl_1139751447_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1139751447.pdb or /var/tmp/from_scwrl_1139751447_b.pdb or /var/tmp/from_scwrl_1139751447_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 Skipped atom 14, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 18, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 20, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 159, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 456, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 462, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_941325472.pdb -s /var/tmp/to_scwrl_941325472.seq -o /var/tmp/from_scwrl_941325472.pdb > /var/tmp/scwrl_941325472.log sh: /var/tmp/scwrl_941325472.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_941325472.pdb or /var/tmp/from_scwrl_941325472.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_941325472_b.pdb or decoys//var/tmp/from_scwrl_941325472_b.pdb.gz for input Trying /var/tmp/from_scwrl_941325472_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_941325472_b.pdb or /var/tmp/from_scwrl_941325472_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_941325472_a.pdb or decoys//var/tmp/from_scwrl_941325472_a.pdb.gz for input Trying /var/tmp/from_scwrl_941325472_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_941325472_a.pdb or /var/tmp/from_scwrl_941325472_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_941325472.pdb or /var/tmp/from_scwrl_941325472_b.pdb or /var/tmp/from_scwrl_941325472_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_716438464.pdb -s /var/tmp/to_scwrl_716438464.seq -o /var/tmp/from_scwrl_716438464.pdb > /var/tmp/scwrl_716438464.log sh: /var/tmp/scwrl_716438464.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_716438464.pdb or /var/tmp/from_scwrl_716438464.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_716438464_b.pdb or decoys//var/tmp/from_scwrl_716438464_b.pdb.gz for input Trying /var/tmp/from_scwrl_716438464_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_716438464_b.pdb or /var/tmp/from_scwrl_716438464_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_716438464_a.pdb or decoys//var/tmp/from_scwrl_716438464_a.pdb.gz for input Trying /var/tmp/from_scwrl_716438464_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_716438464_a.pdb or /var/tmp/from_scwrl_716438464_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_716438464.pdb or /var/tmp/from_scwrl_716438464_b.pdb or /var/tmp/from_scwrl_716438464_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_664076077.pdb -s /var/tmp/to_scwrl_664076077.seq -o /var/tmp/from_scwrl_664076077.pdb > /var/tmp/scwrl_664076077.log sh: /var/tmp/scwrl_664076077.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_664076077.pdb or /var/tmp/from_scwrl_664076077.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_664076077_b.pdb or decoys//var/tmp/from_scwrl_664076077_b.pdb.gz for input Trying /var/tmp/from_scwrl_664076077_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_664076077_b.pdb or /var/tmp/from_scwrl_664076077_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_664076077_a.pdb or decoys//var/tmp/from_scwrl_664076077_a.pdb.gz for input Trying /var/tmp/from_scwrl_664076077_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_664076077_a.pdb or /var/tmp/from_scwrl_664076077_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_664076077.pdb or /var/tmp/from_scwrl_664076077_b.pdb or /var/tmp/from_scwrl_664076077_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 143 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2103354134.pdb -s /var/tmp/to_scwrl_2103354134.seq -o /var/tmp/from_scwrl_2103354134.pdb > /var/tmp/scwrl_2103354134.log sh: /var/tmp/scwrl_2103354134.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2103354134.pdb or /var/tmp/from_scwrl_2103354134.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2103354134_b.pdb or decoys//var/tmp/from_scwrl_2103354134_b.pdb.gz for input Trying /var/tmp/from_scwrl_2103354134_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2103354134_b.pdb or /var/tmp/from_scwrl_2103354134_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2103354134_a.pdb or decoys//var/tmp/from_scwrl_2103354134_a.pdb.gz for input Trying /var/tmp/from_scwrl_2103354134_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2103354134_a.pdb or /var/tmp/from_scwrl_2103354134_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2103354134.pdb or /var/tmp/from_scwrl_2103354134_b.pdb or /var/tmp/from_scwrl_2103354134_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_501716641.pdb -s /var/tmp/to_scwrl_501716641.seq -o /var/tmp/from_scwrl_501716641.pdb > /var/tmp/scwrl_501716641.log sh: /var/tmp/scwrl_501716641.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_501716641.pdb or /var/tmp/from_scwrl_501716641.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_501716641_b.pdb or decoys//var/tmp/from_scwrl_501716641_b.pdb.gz for input Trying /var/tmp/from_scwrl_501716641_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_501716641_b.pdb or /var/tmp/from_scwrl_501716641_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_501716641_a.pdb or decoys//var/tmp/from_scwrl_501716641_a.pdb.gz for input Trying /var/tmp/from_scwrl_501716641_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_501716641_a.pdb or /var/tmp/from_scwrl_501716641_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_501716641.pdb or /var/tmp/from_scwrl_501716641_b.pdb or /var/tmp/from_scwrl_501716641_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 82 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2040426456.pdb -s /var/tmp/to_scwrl_2040426456.seq -o /var/tmp/from_scwrl_2040426456.pdb > /var/tmp/scwrl_2040426456.log sh: /var/tmp/scwrl_2040426456.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2040426456.pdb or /var/tmp/from_scwrl_2040426456.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2040426456_b.pdb or decoys//var/tmp/from_scwrl_2040426456_b.pdb.gz for input Trying /var/tmp/from_scwrl_2040426456_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2040426456_b.pdb or /var/tmp/from_scwrl_2040426456_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2040426456_a.pdb or decoys//var/tmp/from_scwrl_2040426456_a.pdb.gz for input Trying /var/tmp/from_scwrl_2040426456_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2040426456_a.pdb or /var/tmp/from_scwrl_2040426456_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2040426456.pdb or /var/tmp/from_scwrl_2040426456_b.pdb or /var/tmp/from_scwrl_2040426456_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_631295572.pdb -s /var/tmp/to_scwrl_631295572.seq -o /var/tmp/from_scwrl_631295572.pdb > /var/tmp/scwrl_631295572.log sh: /var/tmp/scwrl_631295572.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_631295572.pdb or /var/tmp/from_scwrl_631295572.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_631295572_b.pdb or decoys//var/tmp/from_scwrl_631295572_b.pdb.gz for input Trying /var/tmp/from_scwrl_631295572_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_631295572_b.pdb or /var/tmp/from_scwrl_631295572_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_631295572_a.pdb or decoys//var/tmp/from_scwrl_631295572_a.pdb.gz for input Trying /var/tmp/from_scwrl_631295572_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_631295572_a.pdb or /var/tmp/from_scwrl_631295572_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_631295572.pdb or /var/tmp/from_scwrl_631295572_b.pdb or /var/tmp/from_scwrl_631295572_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0322)A143.O and (T0322)R144.N only 0.000 apart, marking (T0322)R144.N as missing # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_421184912.pdb -s /var/tmp/to_scwrl_421184912.seq -o /var/tmp/from_scwrl_421184912.pdb > /var/tmp/scwrl_421184912.log sh: /var/tmp/scwrl_421184912.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_421184912.pdb or /var/tmp/from_scwrl_421184912.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_421184912_b.pdb or decoys//var/tmp/from_scwrl_421184912_b.pdb.gz for input Trying /var/tmp/from_scwrl_421184912_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_421184912_b.pdb or /var/tmp/from_scwrl_421184912_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_421184912_a.pdb or decoys//var/tmp/from_scwrl_421184912_a.pdb.gz for input Trying /var/tmp/from_scwrl_421184912_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_421184912_a.pdb or /var/tmp/from_scwrl_421184912_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_421184912.pdb or /var/tmp/from_scwrl_421184912_b.pdb or /var/tmp/from_scwrl_421184912_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 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_457142777.pdb -s /var/tmp/to_scwrl_457142777.seq -o /var/tmp/from_scwrl_457142777.pdb > /var/tmp/scwrl_457142777.log sh: /var/tmp/scwrl_457142777.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_457142777.pdb or /var/tmp/from_scwrl_457142777.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457142777_b.pdb or decoys//var/tmp/from_scwrl_457142777_b.pdb.gz for input Trying /var/tmp/from_scwrl_457142777_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_457142777_b.pdb or /var/tmp/from_scwrl_457142777_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457142777_a.pdb or decoys//var/tmp/from_scwrl_457142777_a.pdb.gz for input Trying /var/tmp/from_scwrl_457142777_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_457142777_a.pdb or /var/tmp/from_scwrl_457142777_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_457142777.pdb or /var/tmp/from_scwrl_457142777_b.pdb or /var/tmp/from_scwrl_457142777_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 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1132822292.pdb -s /var/tmp/to_scwrl_1132822292.seq -o /var/tmp/from_scwrl_1132822292.pdb > /var/tmp/scwrl_1132822292.log sh: /var/tmp/scwrl_1132822292.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1132822292.pdb or /var/tmp/from_scwrl_1132822292.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1132822292_b.pdb or decoys//var/tmp/from_scwrl_1132822292_b.pdb.gz for input Trying /var/tmp/from_scwrl_1132822292_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1132822292_b.pdb or /var/tmp/from_scwrl_1132822292_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1132822292_a.pdb or decoys//var/tmp/from_scwrl_1132822292_a.pdb.gz for input Trying /var/tmp/from_scwrl_1132822292_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1132822292_a.pdb or /var/tmp/from_scwrl_1132822292_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1132822292.pdb or /var/tmp/from_scwrl_1132822292_b.pdb or /var/tmp/from_scwrl_1132822292_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 154 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_299355758.pdb -s /var/tmp/to_scwrl_299355758.seq -o /var/tmp/from_scwrl_299355758.pdb > /var/tmp/scwrl_299355758.log sh: /var/tmp/scwrl_299355758.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_299355758.pdb or /var/tmp/from_scwrl_299355758.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_299355758_b.pdb or decoys//var/tmp/from_scwrl_299355758_b.pdb.gz for input Trying /var/tmp/from_scwrl_299355758_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_299355758_b.pdb or /var/tmp/from_scwrl_299355758_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_299355758_a.pdb or decoys//var/tmp/from_scwrl_299355758_a.pdb.gz for input Trying /var/tmp/from_scwrl_299355758_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_299355758_a.pdb or /var/tmp/from_scwrl_299355758_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_299355758.pdb or /var/tmp/from_scwrl_299355758_b.pdb or /var/tmp/from_scwrl_299355758_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 156 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_901407666.pdb -s /var/tmp/to_scwrl_901407666.seq -o /var/tmp/from_scwrl_901407666.pdb > /var/tmp/scwrl_901407666.log sh: /var/tmp/scwrl_901407666.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_901407666.pdb or /var/tmp/from_scwrl_901407666.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_901407666_b.pdb or decoys//var/tmp/from_scwrl_901407666_b.pdb.gz for input Trying /var/tmp/from_scwrl_901407666_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_901407666_b.pdb or /var/tmp/from_scwrl_901407666_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_901407666_a.pdb or decoys//var/tmp/from_scwrl_901407666_a.pdb.gz for input Trying /var/tmp/from_scwrl_901407666_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_901407666_a.pdb or /var/tmp/from_scwrl_901407666_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_901407666.pdb or /var/tmp/from_scwrl_901407666_b.pdb or /var/tmp/from_scwrl_901407666_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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1986262122.pdb -s /var/tmp/to_scwrl_1986262122.seq -o /var/tmp/from_scwrl_1986262122.pdb > /var/tmp/scwrl_1986262122.log sh: /var/tmp/scwrl_1986262122.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1986262122.pdb or /var/tmp/from_scwrl_1986262122.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1986262122_b.pdb or decoys//var/tmp/from_scwrl_1986262122_b.pdb.gz for input Trying /var/tmp/from_scwrl_1986262122_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1986262122_b.pdb or /var/tmp/from_scwrl_1986262122_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1986262122_a.pdb or decoys//var/tmp/from_scwrl_1986262122_a.pdb.gz for input Trying /var/tmp/from_scwrl_1986262122_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1986262122_a.pdb or /var/tmp/from_scwrl_1986262122_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1986262122.pdb or /var/tmp/from_scwrl_1986262122_b.pdb or /var/tmp/from_scwrl_1986262122_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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1758653364.pdb -s /var/tmp/to_scwrl_1758653364.seq -o /var/tmp/from_scwrl_1758653364.pdb > /var/tmp/scwrl_1758653364.log sh: /var/tmp/scwrl_1758653364.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1758653364.pdb or /var/tmp/from_scwrl_1758653364.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758653364_b.pdb or decoys//var/tmp/from_scwrl_1758653364_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758653364_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758653364_b.pdb or /var/tmp/from_scwrl_1758653364_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758653364_a.pdb or decoys//var/tmp/from_scwrl_1758653364_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758653364_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758653364_a.pdb or /var/tmp/from_scwrl_1758653364_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758653364.pdb or /var/tmp/from_scwrl_1758653364_b.pdb or /var/tmp/from_scwrl_1758653364_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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1337405117.pdb -s /var/tmp/to_scwrl_1337405117.seq -o /var/tmp/from_scwrl_1337405117.pdb > /var/tmp/scwrl_1337405117.log sh: /var/tmp/scwrl_1337405117.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1337405117.pdb or /var/tmp/from_scwrl_1337405117.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1337405117_b.pdb or decoys//var/tmp/from_scwrl_1337405117_b.pdb.gz for input Trying /var/tmp/from_scwrl_1337405117_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1337405117_b.pdb or /var/tmp/from_scwrl_1337405117_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1337405117_a.pdb or decoys//var/tmp/from_scwrl_1337405117_a.pdb.gz for input Trying /var/tmp/from_scwrl_1337405117_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1337405117_a.pdb or /var/tmp/from_scwrl_1337405117_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1337405117.pdb or /var/tmp/from_scwrl_1337405117_b.pdb or /var/tmp/from_scwrl_1337405117_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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1088481123.pdb -s /var/tmp/to_scwrl_1088481123.seq -o /var/tmp/from_scwrl_1088481123.pdb > /var/tmp/scwrl_1088481123.log sh: /var/tmp/scwrl_1088481123.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1088481123.pdb or /var/tmp/from_scwrl_1088481123.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1088481123_b.pdb or decoys//var/tmp/from_scwrl_1088481123_b.pdb.gz for input Trying /var/tmp/from_scwrl_1088481123_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1088481123_b.pdb or /var/tmp/from_scwrl_1088481123_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1088481123_a.pdb or decoys//var/tmp/from_scwrl_1088481123_a.pdb.gz for input Trying /var/tmp/from_scwrl_1088481123_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1088481123_a.pdb or /var/tmp/from_scwrl_1088481123_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1088481123.pdb or /var/tmp/from_scwrl_1088481123_b.pdb or /var/tmp/from_scwrl_1088481123_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 T0322 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_829057238.pdb -s /var/tmp/to_scwrl_829057238.seq -o /var/tmp/from_scwrl_829057238.pdb > /var/tmp/scwrl_829057238.log sh: /var/tmp/scwrl_829057238.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_829057238.pdb or /var/tmp/from_scwrl_829057238.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_829057238_b.pdb or decoys//var/tmp/from_scwrl_829057238_b.pdb.gz for input Trying /var/tmp/from_scwrl_829057238_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_829057238_b.pdb or /var/tmp/from_scwrl_829057238_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_829057238_a.pdb or decoys//var/tmp/from_scwrl_829057238_a.pdb.gz for input Trying /var/tmp/from_scwrl_829057238_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_829057238_a.pdb or /var/tmp/from_scwrl_829057238_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_829057238.pdb or /var/tmp/from_scwrl_829057238_b.pdb or /var/tmp/from_scwrl_829057238_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 145 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1010369360.pdb -s /var/tmp/to_scwrl_1010369360.seq -o /var/tmp/from_scwrl_1010369360.pdb > /var/tmp/scwrl_1010369360.log sh: /var/tmp/scwrl_1010369360.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1010369360.pdb or /var/tmp/from_scwrl_1010369360.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1010369360_b.pdb or decoys//var/tmp/from_scwrl_1010369360_b.pdb.gz for input Trying /var/tmp/from_scwrl_1010369360_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1010369360_b.pdb or /var/tmp/from_scwrl_1010369360_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1010369360_a.pdb or decoys//var/tmp/from_scwrl_1010369360_a.pdb.gz for input Trying /var/tmp/from_scwrl_1010369360_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1010369360_a.pdb or /var/tmp/from_scwrl_1010369360_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1010369360.pdb or /var/tmp/from_scwrl_1010369360_b.pdb or /var/tmp/from_scwrl_1010369360_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 145 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_713803779.pdb -s /var/tmp/to_scwrl_713803779.seq -o /var/tmp/from_scwrl_713803779.pdb > /var/tmp/scwrl_713803779.log sh: /var/tmp/scwrl_713803779.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_713803779.pdb or /var/tmp/from_scwrl_713803779.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_713803779_b.pdb or decoys//var/tmp/from_scwrl_713803779_b.pdb.gz for input Trying /var/tmp/from_scwrl_713803779_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_713803779_b.pdb or /var/tmp/from_scwrl_713803779_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_713803779_a.pdb or decoys//var/tmp/from_scwrl_713803779_a.pdb.gz for input Trying /var/tmp/from_scwrl_713803779_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_713803779_a.pdb or /var/tmp/from_scwrl_713803779_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_713803779.pdb or /var/tmp/from_scwrl_713803779_b.pdb or /var/tmp/from_scwrl_713803779_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 147 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1216269882.pdb -s /var/tmp/to_scwrl_1216269882.seq -o /var/tmp/from_scwrl_1216269882.pdb > /var/tmp/scwrl_1216269882.log sh: /var/tmp/scwrl_1216269882.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1216269882.pdb or /var/tmp/from_scwrl_1216269882.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1216269882_b.pdb or decoys//var/tmp/from_scwrl_1216269882_b.pdb.gz for input Trying /var/tmp/from_scwrl_1216269882_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1216269882_b.pdb or /var/tmp/from_scwrl_1216269882_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1216269882_a.pdb or decoys//var/tmp/from_scwrl_1216269882_a.pdb.gz for input Trying /var/tmp/from_scwrl_1216269882_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1216269882_a.pdb or /var/tmp/from_scwrl_1216269882_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1216269882.pdb or /var/tmp/from_scwrl_1216269882_b.pdb or /var/tmp/from_scwrl_1216269882_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1114660053.pdb -s /var/tmp/to_scwrl_1114660053.seq -o /var/tmp/from_scwrl_1114660053.pdb > /var/tmp/scwrl_1114660053.log sh: /var/tmp/scwrl_1114660053.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1114660053.pdb or /var/tmp/from_scwrl_1114660053.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1114660053_b.pdb or decoys//var/tmp/from_scwrl_1114660053_b.pdb.gz for input Trying /var/tmp/from_scwrl_1114660053_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1114660053_b.pdb or /var/tmp/from_scwrl_1114660053_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1114660053_a.pdb or decoys//var/tmp/from_scwrl_1114660053_a.pdb.gz for input Trying /var/tmp/from_scwrl_1114660053_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1114660053_a.pdb or /var/tmp/from_scwrl_1114660053_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1114660053.pdb or /var/tmp/from_scwrl_1114660053_b.pdb or /var/tmp/from_scwrl_1114660053_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 138 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2091592964.pdb -s /var/tmp/to_scwrl_2091592964.seq -o /var/tmp/from_scwrl_2091592964.pdb > /var/tmp/scwrl_2091592964.log sh: /var/tmp/scwrl_2091592964.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2091592964.pdb or /var/tmp/from_scwrl_2091592964.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2091592964_b.pdb or decoys//var/tmp/from_scwrl_2091592964_b.pdb.gz for input Trying /var/tmp/from_scwrl_2091592964_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2091592964_b.pdb or /var/tmp/from_scwrl_2091592964_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2091592964_a.pdb or decoys//var/tmp/from_scwrl_2091592964_a.pdb.gz for input Trying /var/tmp/from_scwrl_2091592964_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2091592964_a.pdb or /var/tmp/from_scwrl_2091592964_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2091592964.pdb or /var/tmp/from_scwrl_2091592964_b.pdb or /var/tmp/from_scwrl_2091592964_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 T0322 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_1051485645.pdb -s /var/tmp/to_scwrl_1051485645.seq -o /var/tmp/from_scwrl_1051485645.pdb > /var/tmp/scwrl_1051485645.log sh: /var/tmp/scwrl_1051485645.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1051485645.pdb or /var/tmp/from_scwrl_1051485645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1051485645_b.pdb or decoys//var/tmp/from_scwrl_1051485645_b.pdb.gz for input Trying /var/tmp/from_scwrl_1051485645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1051485645_b.pdb or /var/tmp/from_scwrl_1051485645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1051485645_a.pdb or decoys//var/tmp/from_scwrl_1051485645_a.pdb.gz for input Trying /var/tmp/from_scwrl_1051485645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1051485645_a.pdb or /var/tmp/from_scwrl_1051485645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1051485645.pdb or /var/tmp/from_scwrl_1051485645_b.pdb or /var/tmp/from_scwrl_1051485645_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 T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_57312160.pdb -s /var/tmp/to_scwrl_57312160.seq -o /var/tmp/from_scwrl_57312160.pdb > /var/tmp/scwrl_57312160.log sh: /var/tmp/scwrl_57312160.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_57312160.pdb or /var/tmp/from_scwrl_57312160.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_57312160_b.pdb or decoys//var/tmp/from_scwrl_57312160_b.pdb.gz for input Trying /var/tmp/from_scwrl_57312160_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_57312160_b.pdb or /var/tmp/from_scwrl_57312160_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_57312160_a.pdb or decoys//var/tmp/from_scwrl_57312160_a.pdb.gz for input Trying /var/tmp/from_scwrl_57312160_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_57312160_a.pdb or /var/tmp/from_scwrl_57312160_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_57312160.pdb or /var/tmp/from_scwrl_57312160_b.pdb or /var/tmp/from_scwrl_57312160_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 T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_239761824.pdb -s /var/tmp/to_scwrl_239761824.seq -o /var/tmp/from_scwrl_239761824.pdb > /var/tmp/scwrl_239761824.log sh: /var/tmp/scwrl_239761824.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_239761824.pdb or /var/tmp/from_scwrl_239761824.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_239761824_b.pdb or decoys//var/tmp/from_scwrl_239761824_b.pdb.gz for input Trying /var/tmp/from_scwrl_239761824_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_239761824_b.pdb or /var/tmp/from_scwrl_239761824_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_239761824_a.pdb or decoys//var/tmp/from_scwrl_239761824_a.pdb.gz for input Trying /var/tmp/from_scwrl_239761824_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_239761824_a.pdb or /var/tmp/from_scwrl_239761824_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_239761824.pdb or /var/tmp/from_scwrl_239761824_b.pdb or /var/tmp/from_scwrl_239761824_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 T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_459836869.pdb -s /var/tmp/to_scwrl_459836869.seq -o /var/tmp/from_scwrl_459836869.pdb > /var/tmp/scwrl_459836869.log sh: /var/tmp/scwrl_459836869.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_459836869.pdb or /var/tmp/from_scwrl_459836869.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_459836869_b.pdb or decoys//var/tmp/from_scwrl_459836869_b.pdb.gz for input Trying /var/tmp/from_scwrl_459836869_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_459836869_b.pdb or /var/tmp/from_scwrl_459836869_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_459836869_a.pdb or decoys//var/tmp/from_scwrl_459836869_a.pdb.gz for input Trying /var/tmp/from_scwrl_459836869_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_459836869_a.pdb or /var/tmp/from_scwrl_459836869_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_459836869.pdb or /var/tmp/from_scwrl_459836869_b.pdb or /var/tmp/from_scwrl_459836869_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: atom 1 has residue number 1 < previous residue 141 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_2108370582.pdb -s /var/tmp/to_scwrl_2108370582.seq -o /var/tmp/from_scwrl_2108370582.pdb > /var/tmp/scwrl_2108370582.log sh: /var/tmp/scwrl_2108370582.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2108370582.pdb or /var/tmp/from_scwrl_2108370582.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108370582_b.pdb or decoys//var/tmp/from_scwrl_2108370582_b.pdb.gz for input Trying /var/tmp/from_scwrl_2108370582_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108370582_b.pdb or /var/tmp/from_scwrl_2108370582_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108370582_a.pdb or decoys//var/tmp/from_scwrl_2108370582_a.pdb.gz for input Trying /var/tmp/from_scwrl_2108370582_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108370582_a.pdb or /var/tmp/from_scwrl_2108370582_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2108370582.pdb or /var/tmp/from_scwrl_2108370582_b.pdb or /var/tmp/from_scwrl_2108370582_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 T0322 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_860553400.pdb -s /var/tmp/to_scwrl_860553400.seq -o /var/tmp/from_scwrl_860553400.pdb > /var/tmp/scwrl_860553400.log sh: /var/tmp/scwrl_860553400.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_860553400.pdb or /var/tmp/from_scwrl_860553400.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_860553400_b.pdb or decoys//var/tmp/from_scwrl_860553400_b.pdb.gz for input Trying /var/tmp/from_scwrl_860553400_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_860553400_b.pdb or /var/tmp/from_scwrl_860553400_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_860553400_a.pdb or decoys//var/tmp/from_scwrl_860553400_a.pdb.gz for input Trying /var/tmp/from_scwrl_860553400_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_860553400_a.pdb or /var/tmp/from_scwrl_860553400_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_860553400.pdb or /var/tmp/from_scwrl_860553400_b.pdb or /var/tmp/from_scwrl_860553400_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 T0322 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_358143503.pdb -s /var/tmp/to_scwrl_358143503.seq -o /var/tmp/from_scwrl_358143503.pdb > /var/tmp/scwrl_358143503.log sh: /var/tmp/scwrl_358143503.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_358143503.pdb or /var/tmp/from_scwrl_358143503.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_358143503_b.pdb or decoys//var/tmp/from_scwrl_358143503_b.pdb.gz for input Trying /var/tmp/from_scwrl_358143503_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_358143503_b.pdb or /var/tmp/from_scwrl_358143503_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_358143503_a.pdb or decoys//var/tmp/from_scwrl_358143503_a.pdb.gz for input Trying /var/tmp/from_scwrl_358143503_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_358143503_a.pdb or /var/tmp/from_scwrl_358143503_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_358143503.pdb or /var/tmp/from_scwrl_358143503_b.pdb or /var/tmp/from_scwrl_358143503_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 T0322 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 142 ; scwrl3 -i /var/tmp/to_scwrl_213393463.pdb -s /var/tmp/to_scwrl_213393463.seq -o /var/tmp/from_scwrl_213393463.pdb > /var/tmp/scwrl_213393463.log sh: /var/tmp/scwrl_213393463.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_213393463.pdb or /var/tmp/from_scwrl_213393463.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_213393463_b.pdb or decoys//var/tmp/from_scwrl_213393463_b.pdb.gz for input Trying /var/tmp/from_scwrl_213393463_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_213393463_b.pdb or /var/tmp/from_scwrl_213393463_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_213393463_a.pdb or decoys//var/tmp/from_scwrl_213393463_a.pdb.gz for input Trying /var/tmp/from_scwrl_213393463_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_213393463_a.pdb or /var/tmp/from_scwrl_213393463_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_213393463.pdb or /var/tmp/from_scwrl_213393463_b.pdb or /var/tmp/from_scwrl_213393463_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 36.189 sec, elapsed time= 41.526 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 77.028 real_cost = -23.202 panther2_TS1-scwrl costs 58.884 real_cost = -28.168 nFOLD_TS5-scwrl costs 70.584 real_cost = 161.209 nFOLD_TS4-scwrl costs 64.513 real_cost = 36.590 nFOLD_TS3-scwrl costs 66.349 real_cost = 47.576 nFOLD_TS2-scwrl costs 69.479 real_cost = 15.595 nFOLD_TS1-scwrl costs 70.873 real_cost = 56.194 mGen-3D_TS1-scwrl costs 69.014 real_cost = 49.666 keasar-server_TS5-scwrl costs 79.462 real_cost = 15.200 keasar-server_TS4-scwrl costs 94.049 real_cost = 19.786 keasar-server_TS3-scwrl costs 102.594 real_cost = 3.234 keasar-server_TS2-scwrl costs 92.621 real_cost = -5.542 keasar-server_TS1-scwrl costs 90.421 real_cost = 32.989 karypis.srv_TS5-scwrl costs 68.622 real_cost = 28.373 karypis.srv_TS4-scwrl costs 65.880 real_cost = -57.656 karypis.srv_TS3-scwrl costs 60.525 real_cost = -42.404 karypis.srv_TS2-scwrl costs 61.715 real_cost = -24.501 karypis.srv_TS1-scwrl costs 56.137 real_cost = -60.989 karypis.srv.4_TS5-scwrl costs 141.604 real_cost = 321.924 karypis.srv.4_TS4-scwrl costs 151.729 real_cost = 341.421 karypis.srv.4_TS3-scwrl costs 168.359 real_cost = 325.046 karypis.srv.4_TS2-scwrl costs 143.457 real_cost = 267.402 karypis.srv.4_TS1-scwrl costs 137.416 real_cost = 279.235 karypis.srv.2_TS5-scwrl costs 65.772 real_cost = -27.506 karypis.srv.2_TS4-scwrl costs 65.218 real_cost = -46.111 karypis.srv.2_TS3-scwrl costs 71.500 real_cost = -16.537 karypis.srv.2_TS2-scwrl costs 51.320 real_cost = -25.807 karypis.srv.2_TS1-scwrl costs 64.270 real_cost = -39.668 gtg_AL5-scwrl costs 80.026 real_cost = 180.628 gtg_AL4-scwrl costs 60.583 real_cost = 29.638 gtg_AL3-scwrl costs 75.555 real_cost = 47.474 gtg_AL2-scwrl costs 72.634 real_cost = 65.958 gtg_AL1-scwrl costs 56.446 real_cost = 68.037 forecast-s_AL5-scwrl costs 80.415 real_cost = 145.025 forecast-s_AL4-scwrl costs 75.313 real_cost = 171.570 forecast-s_AL3-scwrl costs 78.064 real_cost = 154.721 forecast-s_AL2-scwrl costs 74.766 real_cost = 136.521 forecast-s_AL1-scwrl costs 69.755 real_cost = 119.525 beautshotbase_TS1-scwrl costs 60.470 real_cost = -29.631 beautshot_TS1-scwrl costs 74.333 real_cost = -6.077 Zhang-Server_TS5-scwrl costs 57.558 real_cost = -50.148 Zhang-Server_TS4-scwrl costs 55.887 real_cost = -57.844 Zhang-Server_TS3-scwrl costs 55.913 real_cost = -45.248 Zhang-Server_TS2-scwrl costs 51.026 real_cost = -61.976 Zhang-Server_TS1-scwrl costs 55.751 real_cost = -62.852 UNI-EID_sfst_AL4-scwrl costs 54.524 real_cost = 107.625 UNI-EID_sfst_AL3-scwrl costs 58.738 real_cost = 11.303 UNI-EID_sfst_AL2-scwrl costs 84.725 real_cost = 79.778 UNI-EID_sfst_AL1-scwrl costs 56.579 real_cost = 29.780 UNI-EID_expm_TS1-scwrl costs 82.657 real_cost = 87.662 UNI-EID_bnmx_TS5-scwrl costs 53.515 real_cost = 106.765 UNI-EID_bnmx_TS4-scwrl costs 54.832 real_cost = 110.606 UNI-EID_bnmx_TS3-scwrl costs 60.875 real_cost = 23.676 UNI-EID_bnmx_TS2-scwrl costs 84.725 real_cost = 79.778 UNI-EID_bnmx_TS1-scwrl costs 57.029 real_cost = 30.103 SPARKS2_TS5-scwrl costs 56.628 real_cost = 12.484 SPARKS2_TS4-scwrl costs 72.121 real_cost = -11.930 SPARKS2_TS3-scwrl costs 68.342 real_cost = -11.626 SPARKS2_TS2-scwrl costs 68.546 real_cost = 24.453 SPARKS2_TS1-scwrl costs 66.605 real_cost = -43.105 SP4_TS5-scwrl costs 62.742 real_cost = 45.457 SP4_TS4-scwrl costs 69.728 real_cost = 45.042 SP4_TS3-scwrl costs 67.460 real_cost = -16.524 SP4_TS2-scwrl costs 73.006 real_cost = -18.311 SP4_TS1-scwrl costs 63.243 real_cost = -51.761 SP3_TS5-scwrl costs 65.251 real_cost = 37.308 SP3_TS4-scwrl costs 68.546 real_cost = 24.453 SP3_TS3-scwrl costs 72.902 real_cost = 2.288 SP3_TS2-scwrl costs 69.284 real_cost = -15.506 SP3_TS1-scwrl costs 66.605 real_cost = -43.105 SAM_T06_server_TS5-scwrl costs 67.989 real_cost = -66.181 SAM_T06_server_TS4-scwrl costs 55.617 real_cost = -56.745 SAM_T06_server_TS3-scwrl costs 70.451 real_cost = -54.168 SAM_T06_server_TS2-scwrl costs 52.755 real_cost = 86.556 SAM_T06_server_TS1-scwrl costs 69.376 real_cost = -17.140 SAM-T99_AL5-scwrl costs 59.885 real_cost = 45.259 SAM-T99_AL4-scwrl costs 56.341 real_cost = 61.922 SAM-T99_AL3-scwrl costs 56.645 real_cost = 61.465 SAM-T99_AL2-scwrl costs 68.072 real_cost = 90.231 SAM-T99_AL1-scwrl costs 81.406 real_cost = 84.834 SAM-T02_AL5-scwrl costs 62.157 real_cost = 28.352 SAM-T02_AL4-scwrl costs 58.024 real_cost = 40.216 SAM-T02_AL3-scwrl costs 58.602 real_cost = 31.125 SAM-T02_AL2-scwrl costs 54.841 real_cost = 192.464 SAM-T02_AL1-scwrl costs 54.919 real_cost = 179.902 ROKKY_TS5-scwrl costs 64.786 real_cost = -35.399 ROKKY_TS4-scwrl costs 61.163 real_cost = -33.334 ROKKY_TS3-scwrl costs 72.190 real_cost = 4.529 ROKKY_TS2-scwrl costs 75.865 real_cost = 14.964 ROKKY_TS1-scwrl costs 80.125 real_cost = 10.689 ROBETTA_TS5-scwrl costs 53.672 real_cost = -66.601 ROBETTA_TS4-scwrl costs 70.868 real_cost = 20.514 ROBETTA_TS3-scwrl costs 60.920 real_cost = 15.335 ROBETTA_TS2-scwrl costs 65.669 real_cost = -7.272 ROBETTA_TS1-scwrl costs 63.115 real_cost = -13.264 RAPTOR_TS5-scwrl costs 66.231 real_cost = -35.929 RAPTOR_TS4-scwrl costs 68.772 real_cost = -26.734 RAPTOR_TS3-scwrl costs 68.772 real_cost = -26.734 RAPTOR_TS2-scwrl costs 66.256 real_cost = 14.763 RAPTOR_TS1-scwrl costs 68.297 real_cost = -23.049 RAPTORESS_TS5-scwrl costs 74.845 real_cost = -1.409 RAPTORESS_TS4-scwrl costs 72.740 real_cost = -25.909 RAPTORESS_TS3-scwrl costs 72.740 real_cost = -25.909 RAPTORESS_TS2-scwrl costs 80.403 real_cost = 28.404 RAPTORESS_TS1-scwrl costs 85.718 real_cost = -6.706 RAPTOR-ACE_TS5-scwrl costs 70.805 real_cost = -36.248 RAPTOR-ACE_TS4-scwrl costs 64.719 real_cost = -17.811 RAPTOR-ACE_TS3-scwrl costs 63.511 real_cost = -37.416 RAPTOR-ACE_TS2-scwrl costs 66.605 real_cost = -43.105 RAPTOR-ACE_TS1-scwrl costs 66.694 real_cost = -21.295 Pmodeller6_TS5-scwrl costs 67.382 real_cost = -16.503 Pmodeller6_TS4-scwrl costs 58.678 real_cost = -29.490 Pmodeller6_TS3-scwrl costs 56.219 real_cost = -67.674 Pmodeller6_TS2-scwrl costs 55.031 real_cost = -60.033 Pmodeller6_TS1-scwrl costs 60.107 real_cost = -58.228 Phyre-2_TS5-scwrl costs 62.126 real_cost = -25.728 Phyre-2_TS4-scwrl costs 69.253 real_cost = -12.321 Phyre-2_TS3-scwrl costs 52.687 real_cost = -35.705 Phyre-2_TS2-scwrl costs 53.195 real_cost = -29.606 Phyre-2_TS1-scwrl costs 66.573 real_cost = -11.297 Phyre-1_TS1-scwrl costs 51.168 real_cost = 0.115 Pcons6_TS5-scwrl costs 59.445 real_cost = -37.239 Pcons6_TS4-scwrl costs 63.776 real_cost = -30.965 Pcons6_TS3-scwrl costs 58.504 real_cost = -37.221 Pcons6_TS2-scwrl costs 57.384 real_cost = -50.972 Pcons6_TS1-scwrl costs 55.031 real_cost = -60.033 PROTINFO_TS5-scwrl costs 66.474 real_cost = -16.229 PROTINFO_TS4-scwrl costs 67.631 real_cost = -26.928 PROTINFO_TS3-scwrl costs 72.872 real_cost = -26.947 PROTINFO_TS2-scwrl costs 66.274 real_cost = -29.741 PROTINFO_TS1-scwrl costs 62.797 real_cost = -25.930 PROTINFO-AB_TS5-scwrl costs 69.184 real_cost = -28.907 PROTINFO-AB_TS4-scwrl costs 67.752 real_cost = -28.861 PROTINFO-AB_TS3-scwrl costs 64.590 real_cost = -22.916 PROTINFO-AB_TS2-scwrl costs 65.471 real_cost = -20.915 PROTINFO-AB_TS1-scwrl costs 65.382 real_cost = -20.354 NN_PUT_lab_TS1-scwrl costs 66.605 real_cost = -43.105 MetaTasser_TS5-scwrl costs 93.847 real_cost = -9.461 MetaTasser_TS4-scwrl costs 87.806 real_cost = -20.535 MetaTasser_TS3-scwrl costs 85.395 real_cost = -21.571 MetaTasser_TS2-scwrl costs 89.604 real_cost = -28.819 MetaTasser_TS1-scwrl costs 91.717 real_cost = 5.263 Ma-OPUS-server_TS5-scwrl costs 68.858 real_cost = -28.752 Ma-OPUS-server_TS4-scwrl costs 72.950 real_cost = -20.349 Ma-OPUS-server_TS3-scwrl costs 63.967 real_cost = -57.453 Ma-OPUS-server_TS2-scwrl costs 63.702 real_cost = -30.951 Ma-OPUS-server_TS1-scwrl costs 50.932 real_cost = -6.798 Ma-OPUS-server2_TS5-scwrl costs 72.950 real_cost = -20.349 Ma-OPUS-server2_TS4-scwrl costs 62.789 real_cost = -28.098 Ma-OPUS-server2_TS3-scwrl costs 76.132 real_cost = -12.161 Ma-OPUS-server2_TS2-scwrl costs 50.798 real_cost = -21.430 Ma-OPUS-server2_TS1-scwrl costs 68.927 real_cost = 48.632 MIG_FROST_AL1-scwrl costs 84.996 real_cost = 333.509 LOOPP_TS5-scwrl costs 57.299 real_cost = 10.259 LOOPP_TS4-scwrl costs 58.770 real_cost = 27.153 LOOPP_TS3-scwrl costs 66.736 real_cost = 56.724 LOOPP_TS2-scwrl costs 54.721 real_cost = -45.852 LOOPP_TS1-scwrl costs 57.658 real_cost = -14.410 Huber-Torda-Server_TS5-scwrl costs 134.179 real_cost = 453.263 Huber-Torda-Server_TS4-scwrl costs 135.047 real_cost = 419.473 Huber-Torda-Server_TS3-scwrl costs 69.357 real_cost = 42.158 Huber-Torda-Server_TS2-scwrl costs 67.437 real_cost = 204.272 Huber-Torda-Server_TS1-scwrl costs 70.830 real_cost = 82.057 HHpred3_TS1-scwrl costs 63.554 real_cost = -36.292 HHpred2_TS1-scwrl costs 63.554 real_cost = -36.292 HHpred1_TS1-scwrl costs 68.868 real_cost = -40.387 GeneSilicoMetaServer_TS5-scwrl costs 64.838 real_cost = -24.191 GeneSilicoMetaServer_TS4-scwrl costs 55.535 real_cost = -27.262 GeneSilicoMetaServer_TS3-scwrl costs 55.911 real_cost = -29.447 GeneSilicoMetaServer_TS2-scwrl costs 69.147 real_cost = -8.460 GeneSilicoMetaServer_TS1-scwrl costs 61.293 real_cost = -35.803 FUNCTION_TS5-scwrl costs 81.757 real_cost = -19.221 FUNCTION_TS4-scwrl costs 81.000 real_cost = -10.099 FUNCTION_TS3-scwrl costs 64.594 real_cost = -18.131 FUNCTION_TS2-scwrl costs 77.906 real_cost = -8.155 FUNCTION_TS1-scwrl costs 55.372 real_cost = -32.301 FUGUE_AL5-scwrl costs 75.408 real_cost = 183.558 FUGUE_AL4-scwrl costs 82.194 real_cost = 200.073 FUGUE_AL3-scwrl costs 81.162 real_cost = 115.808 FUGUE_AL2-scwrl costs 75.681 real_cost = 152.524 FUGUE_AL1-scwrl costs 67.175 real_cost = 102.726 FUGMOD_TS5-scwrl costs 68.858 real_cost = 78.830 FUGMOD_TS4-scwrl costs 78.539 real_cost = 142.848 FUGMOD_TS3-scwrl costs 71.496 real_cost = 36.197 FUGMOD_TS2-scwrl costs 59.791 real_cost = 71.073 FUGMOD_TS1-scwrl costs 69.221 real_cost = 6.004 FPSOLVER-SERVER_TS5-scwrl costs 132.216 real_cost = 313.231 FPSOLVER-SERVER_TS4-scwrl costs 140.548 real_cost = 322.539 FPSOLVER-SERVER_TS3-scwrl costs 131.855 real_cost = 331.106 FPSOLVER-SERVER_TS2-scwrl costs 144.472 real_cost = 346.485 FPSOLVER-SERVER_TS1-scwrl costs 131.904 real_cost = 309.298 FORTE2_AL5-scwrl costs 68.208 real_cost = 133.321 FORTE2_AL4-scwrl costs 65.893 real_cost = 136.121 FORTE2_AL3-scwrl costs 75.282 real_cost = 191.387 FORTE2_AL2-scwrl costs 65.562 real_cost = 165.418 FORTE2_AL1-scwrl costs 68.818 real_cost = 131.539 FORTE1_AL5-scwrl costs 68.208 real_cost = 133.321 FORTE1_AL4-scwrl costs 65.893 real_cost = 136.121 FORTE1_AL3-scwrl costs 75.282 real_cost = 191.387 FORTE1_AL2-scwrl costs 65.562 real_cost = 165.418 FORTE1_AL1-scwrl costs 68.818 real_cost = 131.539 FOLDpro_TS5-scwrl costs 74.616 real_cost = 58.268 FOLDpro_TS4-scwrl costs 76.379 real_cost = 119.222 FOLDpro_TS3-scwrl costs 76.744 real_cost = 99.029 FOLDpro_TS2-scwrl costs 69.846 real_cost = -66.835 FOLDpro_TS1-scwrl costs 65.348 real_cost = -45.688 FAMS_TS5-scwrl costs 59.447 real_cost = -43.485 FAMS_TS4-scwrl costs 51.297 real_cost = -8.202 FAMS_TS3-scwrl costs 59.285 real_cost = -30.337 FAMS_TS2-scwrl costs 74.336 real_cost = 15.227 FAMS_TS1-scwrl costs 71.765 real_cost = -37.548 FAMSD_TS5-scwrl costs 57.040 real_cost = -27.456 FAMSD_TS4-scwrl costs 53.856 real_cost = -20.714 FAMSD_TS3-scwrl costs 58.201 real_cost = -30.280 FAMSD_TS2-scwrl costs 51.204 real_cost = -14.098 FAMSD_TS1-scwrl costs 68.136 real_cost = -13.644 Distill_TS5-scwrl costs 228.265 real_cost = 310.824 Distill_TS4-scwrl costs 227.983 real_cost = 325.257 Distill_TS3-scwrl costs 227.904 real_cost = 321.250 Distill_TS2-scwrl costs 229.714 real_cost = 319.354 Distill_TS1-scwrl costs 229.848 real_cost = 317.479 CaspIta-FOX_TS5-scwrl costs 70.169 real_cost = 17.343 CaspIta-FOX_TS4-scwrl costs 70.584 real_cost = 36.311 CaspIta-FOX_TS3-scwrl costs 61.011 real_cost = -10.587 CaspIta-FOX_TS2-scwrl costs 59.698 real_cost = -48.494 CaspIta-FOX_TS1-scwrl costs 58.157 real_cost = -34.244 CPHmodels_TS1-scwrl costs 84.453 real_cost = 131.747 CIRCLE_TS5-scwrl costs 51.297 real_cost = -8.202 CIRCLE_TS4-scwrl costs 59.285 real_cost = -30.337 CIRCLE_TS3-scwrl costs 59.447 real_cost = -43.485 CIRCLE_TS2-scwrl costs 74.336 real_cost = 15.227 CIRCLE_TS1-scwrl costs 79.748 real_cost = 11.701 Bilab-ENABLE_TS1-scwrl costs 63.965 real_cost = -0.845 BayesHH_TS1-scwrl costs 67.991 real_cost = -46.567 ABIpro_TS5-scwrl costs 92.297 real_cost = 282.879 ABIpro_TS4-scwrl costs 103.038 real_cost = 266.914 ABIpro_TS3-scwrl costs 99.151 real_cost = 255.163 ABIpro_TS2-scwrl costs 104.187 real_cost = 221.819 ABIpro_TS1-scwrl costs 84.618 real_cost = 241.489 3Dpro_TS5-scwrl costs 67.672 real_cost = 143.316 3Dpro_TS4-scwrl costs 77.508 real_cost = 184.615 3Dpro_TS3-scwrl costs 85.307 real_cost = 107.692 3Dpro_TS2-scwrl costs 76.360 real_cost = -17.167 3Dpro_TS1-scwrl costs 69.069 real_cost = -29.442 3D-JIGSAW_TS5-scwrl costs 82.510 real_cost = 98.024 3D-JIGSAW_TS4-scwrl costs 60.399 real_cost = -33.959 3D-JIGSAW_TS3-scwrl costs 81.793 real_cost = 174.826 3D-JIGSAW_TS2-scwrl costs 81.851 real_cost = 172.209 3D-JIGSAW_TS1-scwrl costs 76.712 real_cost = 178.121 3D-JIGSAW_RECOM_TS5-scwrl costs 49.926 real_cost = -26.355 3D-JIGSAW_RECOM_TS4-scwrl costs 60.114 real_cost = -37.142 3D-JIGSAW_RECOM_TS3-scwrl costs 65.330 real_cost = -36.970 3D-JIGSAW_RECOM_TS2-scwrl costs 58.813 real_cost = -19.652 3D-JIGSAW_RECOM_TS1-scwrl costs 61.298 real_cost = -37.619 3D-JIGSAW_POPULUS_TS5-scwrl costs 50.356 real_cost = -22.972 3D-JIGSAW_POPULUS_TS4-scwrl costs 50.356 real_cost = -23.720 3D-JIGSAW_POPULUS_TS3-scwrl costs 49.980 real_cost = -23.518 3D-JIGSAW_POPULUS_TS2-scwrl costs 51.373 real_cost = -24.284 3D-JIGSAW_POPULUS_TS1-scwrl costs 50.745 real_cost = -24.078 dimer//dimer-try1-2fs2A.unpack costs 50.956 real_cost = -20.541 dimer//dimer-try1-2fs2A costs 50.956 real_cost = -20.541 dimer//dimer-tr322-2fs2A costs 58.135 real_cost = -55.109 dimer//try9-opt2.unpack costs 53.082 real_cost = -66.501 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 49.820 real_cost = -63.652 dimer//try9-opt2.unpack.gromacs0 costs 49.820 real_cost = -61.450 dimer//try9-opt2.repack-nonPC costs 53.082 real_cost = -66.144 dimer//try9-opt2 costs 53.082 real_cost = -66.501 dimer//try9-opt1 costs 53.759 real_cost = -62.909 dimer//try9-opt1-scwrl costs 53.759 real_cost = -66.635 dimer//try8-opt2.unpack costs 61.650 real_cost = -66.280 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 49.589 real_cost = -64.280 dimer//try8-opt2.unpack.gromacs0 costs 49.589 real_cost = -62.616 dimer//try8-opt2.repack-nonPC costs 61.650 real_cost = -66.649 dimer//try8-opt2 costs 61.650 real_cost = -66.280 dimer//try8-opt1 costs 58.869 real_cost = -62.066 dimer//try8-opt1-scwrl costs 58.869 real_cost = -64.284 dimer//try7-opt2.unpack costs 57.837 real_cost = -71.280 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 49.160 real_cost = -67.007 dimer//try7-opt2.unpack.gromacs0 costs 49.160 real_cost = -68.840 dimer//try7-opt2.repack-nonPC costs 57.837 real_cost = -64.812 dimer//try7-opt2 costs 57.837 real_cost = -71.280 dimer//try7-opt1 costs 54.523 real_cost = -68.093 dimer//try7-opt1-scwrl costs 54.523 real_cost = -65.987 dimer//try6-opt2.unpack costs 61.722 real_cost = -73.083 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 46.861 real_cost = -66.961 dimer//try6-opt2.unpack.gromacs0 costs 46.861 real_cost = -70.010 dimer//try6-opt2.repack-nonPC costs 61.722 real_cost = -69.467 dimer//try6-opt2 costs 61.722 real_cost = -73.083 dimer//try6-opt1 costs 59.515 real_cost = -69.356 dimer//try6-opt1-scwrl costs 59.515 real_cost = -67.139 dimer//try5-opt2.unpack costs 61.831 real_cost = -71.839 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 47.060 real_cost = -68.437 dimer//try5-opt2.unpack.gromacs0 costs 47.060 real_cost = -69.884 dimer//try5-opt2.repack-nonPC costs 61.831 real_cost = -68.889 dimer//try5-opt2 costs 61.831 real_cost = -71.839 dimer//try5-opt1 costs 56.198 real_cost = -73.575 dimer//try5-opt1-scwrl costs 56.198 real_cost = -69.693 dimer//try4-opt2.unpack costs 70.810 real_cost = -66.658 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 49.891 real_cost = -64.439 dimer//try4-opt2.unpack.gromacs0 costs 49.891 real_cost = -63.661 dimer//try4-opt2.repack-nonPC costs 70.810 real_cost = -65.864 dimer//try4-opt2 costs 70.810 real_cost = -66.658 dimer//try4-opt1 costs 59.906 real_cost = -61.918 dimer//try4-opt1-scwrl costs 59.906 real_cost = -61.198 dimer//try3-opt2.unpack costs 51.963 real_cost = -26.282 dimer//try3-opt2.repack-nonPC costs 51.963 real_cost = -26.467 dimer//try3-opt2 costs 51.963 real_cost = -26.282 dimer//try3-opt2.gromacs0 costs 43.398 real_cost = -30.693 dimer//try3-opt1 costs 51.411 real_cost = -26.622 dimer//try3-opt1-scwrl costs 51.411 real_cost = -24.811 dimer//try2-opt2.unpack costs 52.417 real_cost = -25.831 dimer//try2-opt2.repack-nonPC costs 52.417 real_cost = -27.365 dimer//try2-opt2 costs 52.417 real_cost = -25.831 dimer//try2-opt2.gromacs0 costs 43.324 real_cost = -28.797 dimer//try2-opt1 costs 51.001 real_cost = -25.726 dimer//try2-opt1-scwrl costs 51.001 real_cost = -25.518 dimer//try14-opt2.unpack costs 53.834 real_cost = -69.305 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 52.876 real_cost = -67.662 dimer//try14-opt2.unpack.gromacs0 costs 52.876 real_cost = -70.910 dimer//try14-opt2.repack-nonPC costs 53.834 real_cost = -66.661 dimer//try14-opt2 costs 53.834 real_cost = -69.305 dimer//try14-opt1 costs 54.831 real_cost = -67.725 dimer//try14-opt1-scwrl costs 54.831 real_cost = -66.335 dimer//try13-opt2.unpack costs 63.446 real_cost = -73.574 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 50.968 real_cost = -70.803 dimer//try13-opt2.unpack.gromacs0 costs 50.968 real_cost = -72.242 dimer//try13-opt2.repack-nonPC costs 63.446 real_cost = -74.209 dimer//try13-opt2 costs 63.446 real_cost = -73.574 dimer//try13-opt1 costs 63.378 real_cost = -74.192 dimer//try13-opt1-scwrl costs 63.378 real_cost = -76.352 dimer//try12-opt2.unpack costs 63.354 real_cost = -72.223 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 50.305 real_cost = -71.827 dimer//try12-opt2.unpack.gromacs0 costs 50.305 real_cost = -70.868 dimer//try12-opt2.repack-nonPC costs 63.354 real_cost = -71.157 dimer//try12-opt2 costs 63.354 real_cost = -72.223 dimer//try12-opt1 costs 61.763 real_cost = -71.769 dimer//try12-opt1-scwrl costs 61.763 real_cost = -75.716 dimer//try11-opt2.unpack costs 66.723 real_cost = -71.906 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 49.810 real_cost = -69.147 dimer//try11-opt2.unpack.gromacs0 costs 49.810 real_cost = -68.597 dimer//try11-opt2.repack-nonPC costs 66.723 real_cost = -71.844 dimer//try11-opt2 costs 66.723 real_cost = -71.906 dimer//try11-opt1 costs 66.562 real_cost = -70.133 dimer//try11-opt1-scwrl costs 66.562 real_cost = -70.850 dimer//try10-opt2.unpack costs 67.198 real_cost = -65.244 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 49.204 real_cost = -68.132 dimer//try10-opt2.unpack.gromacs0 costs 49.204 real_cost = -63.804 dimer//try10-opt2.repack-nonPC costs 67.198 real_cost = -68.042 dimer//try10-opt2 costs 67.198 real_cost = -65.244 dimer//try10-opt1 costs 60.828 real_cost = -68.965 dimer//try10-opt1-scwrl costs 60.828 real_cost = -68.453 dimer//try1-opt2.unpack costs 54.954 real_cost = -27.162 dimer//try1-opt2.repack-nonPC costs 54.954 real_cost = -22.183 dimer//try1-opt2 costs 54.954 real_cost = -27.162 dimer//try1-opt2.gromacs0 costs 45.668 real_cost = -30.718 dimer//try1-opt1 costs 51.251 real_cost = -23.636 dimer//try1-opt1-scwrl costs 51.251 real_cost = -22.107 tr322.repack-nonPC.pdb.gz costs 55.887 real_cost = -55.160 tr322.pdb.gz costs 55.887 real_cost = -57.844 tr322.gromacs0.repack-nonPC.pdb.gz costs 58.135 real_cost = -55.090 tr322.gromacs0.pdb.gz costs 58.135 real_cost = -55.148 T0322.try1-opt2.pdb.gz costs 50.956 real_cost = -20.539 T0322.try1-opt1.pdb.gz costs 44.395 real_cost = -21.793 T0322.try1-opt1-scwrl.pdb.gz costs 44.395 real_cost = -20.786 ../refine.model5.ts-submitted costs 61.650 real_cost = -66.495 ../refine.model4.ts-submitted costs 50.968 real_cost = -70.431 ../refine.model3.ts-submitted costs 63.446 real_cost = -73.325 ../refine.model2.ts-submitted costs 49.820 real_cost = -63.836 ../refine.model1.ts-submitted costs 53.834 real_cost = -69.205 ../model5.ts-submitted costs 73.929 real_cost = 0.261 ../model4.ts-submitted costs 50.956 real_cost = -20.711 ../model3.ts-submitted costs 54.954 real_cost = -27.167 ../model2.ts-submitted costs 52.417 real_cost = -25.705 ../model1.ts-submitted costs 49.550 real_cost = -26.302 align5 costs 73.085 real_cost = 59.286 align4 costs 70.620 real_cost = 40.553 align3 costs 64.777 real_cost = -42.605 align2 costs 56.266 real_cost = -58.257 align1 costs 70.184 real_cost = 3.049 T0322.try1-opt2.pdb costs 50.956 real_cost = -20.539 model5-scwrl costs 73.929 real_cost = 0.261 model4-scwrl costs 50.956 real_cost = -20.711 model3-scwrl costs 54.954 real_cost = -27.167 model2-scwrl costs 52.417 real_cost = -25.705 model1-scwrl costs 49.550 real_cost = -26.302 2hboA costs 53.823 real_cost = -868.000 # command:CPU_time= 414.490 sec, elapsed time= 420.292 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/T0322'